smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCN(c1ccccc1OC)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl 3226935 SSDJYSAEKNJZSQ-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)S2)cc1 4544518 SVDYGPINMCOMTM-GZTJUZNOSA-N 399.428 3.894 30 40 GHEB O=C(C[n+]1ccc(-c2cc[n+](CC(=O)c3ccccc3)cc2)cc1)c1ccccc1 4551475 SBESQPUNVCCIBT-UHFFFAOYSA-N 394.474 3.694 30 40 GHEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(C(=O)OC)cc3)S2)cc1 5234145 LWTATSWBPPCZSK-SFQUDFHCSA-N 382.441 3.764 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccccc1 5346788 OIFWWQFDFRCZCL-GOSISDBHSA-N 383.411 3.574 30 40 GHEB Oc1ccc(/C=N/c2nnc(C(F)(F)C(F)(F)C(F)(F)F)s2)c(O)c1 5568247 BEQQMCCKTPLWCW-LRNAUUFOSA-N 389.252 3.989 30 40 GHEB C#CCOc1c(Br)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC 6279847 USLZCVBUYMBLKZ-AATRIKPKSA-N 393.193 3.845 30 40 GHEB COc1ccccc1NC(=S)N/N=C(\C)c1ccc(Cl)c([N+](=O)[O-])c1 6299259 WUBIXVLHXNWDPT-VXLYETTFSA-N 378.841 3.967 30 40 GHEB Cc1ccc(C[C@H](C#N)Sc2nnc([C@@H]3COc4ccccc4O3)n2C)cc1 6589284 IRBADADCQQYSON-APWZRJJASA-N 392.484 3.863 30 40 GHEB Cc1nn(CCC(=O)Nc2ccccc2Oc2ccccc2)c(=O)c(C#N)c1C 13004060 MUBGIZODFMKAMS-UHFFFAOYSA-N 388.427 3.553 30 40 GHEB COC(=O)CCC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 17044847 FDXIRTJHZNRIMP-CYVLTUHYSA-N 386.364 3.663 30 40 GHEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(OC)cc3)N(C)C)o2)cc1 27793544 IJFQXSKWBPNCFA-HXUWFJFHSA-N 392.459 3.945 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)=O)cc1 100505539 YIABHNSQNUSSHQ-FQEVSTJZSA-N 397.471 3.779 30 40 GHEB CCOc1ccc(N2C(=O)/C(=N\Nc3ccccc3OC)SC2=S)cc1 104220497 RYHKOJHGLJFOPI-CAPFRKAQSA-N 387.486 3.884 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408800226 NZJULOZRPMTDNN-GZTJUZNOSA-N 382.803 3.571 30 40 GHEB CSc1ccc2nc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)sc2c1 2087050518 NSWKYULMHBNCFD-GASCZTMLSA-N 393.541 3.857 30 40 GHEB CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccc(F)cc2)c(OC)c1)C(F)(F)F 2344825 JNXXJGNEYFKWKI-DAFNMPDCSA-N 399.340 3.898 30 40 GHEB CCCCCCCCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 100339512 MPKASMWPKQDYHX-UHFFFAOYSA-N 391.581 3.768 30 40 GHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCOc1ccccc1Cl 24050532 KAEXBTAUQUWOII-UHFFFAOYSA-N 388.899 3.537 30 40 GHEB Cc1nnc(S)n1/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408865403 DFTYIIVZQVPEGT-UFFVCSGVSA-N 396.545 3.977 30 40 GHEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C 4091828 LXWHTPGXHIWASI-LSHDLFTRSA-N 393.403 3.850 30 40 GHEB COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 5242770 RBWAFQZZXGUOGM-SXGWCWSVSA-N 399.399 3.708 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccncc1 6907632 CJWXRKAQNYOZRR-UHFFFAOYSA-N 383.452 3.704 30 40 GHEB C=CCn1c(S[C@H](C)c2nc(-c3ccncc3)no2)nnc1-c1cccnc1 8726952 YMEWOJICJXCMNO-CYBMUJFWSA-N 391.460 3.824 30 40 GHEB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c1 9189668 UTKAWQVJSPNVCM-KEBDBYFISA-N 395.327 3.697 30 40 GHEB Cc1nc(C#N)c(N2CCC(c3nc(Cc4ccc(Cl)cc4)no3)CC2)o1 72238498 SBSITDDFJVETKG-UHFFFAOYSA-N 383.839 3.866 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)c1 225574132 PICINDJNGKGUOL-UHFFFAOYSA-N 388.489 3.764 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1 224734682 HEIBTKMGKDFVPC-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC 12345266 HVKCUMZDIMUDDH-SVGJNIJCSA-N 395.474 3.861 30 40 GHEB COC(=O)C1=C(C)N(c2ccc(Br)cc2)/C(=C/c2ccco2)C1=O 4688400 VKVFWLIGSRKUMS-XNTDXEJSSA-N 388.217 3.919 30 40 GHEB CCOc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1 35291640 CXUZBQWLGFVQTH-UHFFFAOYSA-N 377.469 3.914 30 40 GHEB O=C(Cn1cc[n+](CC(=O)c2ccc(Cl)s2)c1)c1ccc(Cl)s1 2570424 GHOLMIIUUXVPKW-UHFFFAOYSA-N 386.305 3.971 30 40 GHEB COc1c2c(cc3c1[C@@H](C#C[C@@]1(C)CCCC(C)(C)O1)[N+](C)(C)CC3)OCO2 1280230 XPNINXWCURKQBU-UZUQRXQVSA-N 386.512 3.839 30 40 GHEB biogenic CCCN[C@@H](c1ccc(/C=N/C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 1699573 IVFCNXGJTASRQM-GTQIFZCBSA-N 395.758 3.650 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OCC)cc2)nc2ccccc2c1=O 3363111 YFEYUHNCGQKUQD-UHFFFAOYSA-N 380.469 3.956 30 40 GHEB C[C@@](C#N)(NC(=O)CSc1nc2ccccc2n1-c1ccccc1)C1CC1 5623581 NKOLDPMVOCAIMD-NRFANRHFSA-N 376.485 3.926 30 40 GHEB Cc1cccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)c1C 6785018 DCNSMHZKIWAJEB-UHFFFAOYSA-N 387.534 3.943 30 40 GHEB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncccc3C#N)cc2)cc1 8705306 FUKURJSLGFRGTH-UHFFFAOYSA-N 395.440 3.579 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(c3cc(C)on3)CO4)C2=O)cc1 9481686 CNVIZSXAVKZRAT-GRSHGNNSSA-N 390.395 3.964 30 40 GHEB CC[C@H]1CO[C@@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 12950915 QRPLSNGRSOEHCR-GJZGRUSLSA-N 375.538 3.717 30 40 GHEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Cl)c2)C3=O)CC1 20503999 SSZVPMBEYOTZKZ-MOSHPQCFSA-N 398.890 3.799 30 40 GHEB COc1cccc2cc(C(=O)Nc3ccccc3Cl)/c(=N/OC(C)=O)oc12 20849334 XPYFHXLCJHSXCF-QOCHGBHMSA-N 386.791 3.726 30 40 GHEB Cc1oc(NC(=O)CN2CCC[C@H](c3nc4ccccc4o3)C2)c(C#N)c1C 24668534 KLUYGQRGOIJSCU-HNNXBMFYSA-N 378.432 3.727 30 40 GHEB O/C(Cn1ccc2ccc(Br)cc21)=N\c1nc([C@H]2CCCO2)n[nH]1 95475325 ZKLKNVQRAXZWCK-CYBMUJFWSA-N 390.241 3.662 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 102803432 CBKVCNXZQCIFQE-HVESIFNPSA-N 391.452 3.781 30 40 GHEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 169690746 VGGZQNVGFUANKB-FWMHXUTKSA-N 386.451 3.797 30 40 GHEB C=CCSc1nnc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)s1 223277356 HDGBZLNJIPOQIC-UHFFFAOYSA-N 388.562 3.975 30 40 GHEB CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc12 2445568 XRGDNALVSFCCLB-FIKYGGOLSA-N 386.459 3.577 30 40 GHEB COc1cc(NC(=O)[C@@H](C#N)Cc2ccc3[nH]ccc3c2)cc(OC)c1OC 61720980 QQZOYJWNWBWRBM-OAHLLOKOSA-N 379.416 3.515 30 40 GHEB COc1ccccc1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 3449454 UGGHTKXLSBBCHR-UHFFFAOYSA-N 396.497 3.892 30 40 GHEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409235319 BEJJKROPFXRKMG-CXUHLZMHSA-N 397.843 3.887 30 40 GHEB CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N/c1ccc(C(=O)OC)cc1 4680418 QBXLWQVXUSJMQI-UCEMORSKSA-N 382.441 3.803 30 40 GHEB COc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4814161 UFFWEPNRWQMYFV-QKKBWIMNSA-N 390.418 3.842 30 40 GHEB Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)NCCC#N)o2)cc1 7415157 IXKMMKODFUFMKO-UHFFFAOYSA-N 389.411 3.504 30 40 GHEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccc(F)cc1)n1ncnc1N2 9042410 GGZIOZHHWPZWLN-RBZFPXEDSA-N 376.391 3.539 30 40 GHEB CCCc1ccc(CN2CCC[C@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)o1 585294310 PKZDUTJMKYHDKP-NRFANRHFSA-N 388.475 3.791 30 40 GHEB CCn1c([C@H](C#N)c2cnn(-c3ccccc3)c(=O)c2Cl)nc2ccccc21 5728185 SZAILNRHWAYHJE-OAHLLOKOSA-N 389.846 3.911 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 12798681 BHWUWYQSASKWDN-NTCAYCPXSA-N 389.455 3.701 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)cc1 5079589 TUBRPNBRHDFVJX-UKYUDJEDSA-N 381.428 3.844 30 40 GHEB Brc1cc2c(cc1/C=N\c1ccc(N3CCOCC3)cc1)OCO2 105509562 WCSPNHNXUYRIAV-JAIQZWGSSA-N 389.249 3.765 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC(C)C)cc1 32828625 YRVRFFCPIJYYAX-GOSISDBHSA-N 380.473 3.797 30 40 GHEB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccc(C#N)cc4)C3=O)ccc2c1 9534630 PLQNRSUZTOGICX-QHCPKHFHSA-N 385.423 3.687 30 40 GHEB Cc1c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)sc2cccc(F)c12 32908441 FECSKBWCKMIGMA-UHFFFAOYSA-N 380.448 3.578 30 40 GHEB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 827135 RAGIFWXCWCNFAE-LLVKDONJSA-N 385.514 3.880 30 40 GHEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(OCc3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 106361197 BNERDKSSEPDZQJ-ZKEPRCPCSA-N 398.462 3.797 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 1901999 MIXUULFVYNDRDI-LTBFUDJGSA-N 377.487 3.562 30 40 GHEB N#Cc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)cc1 49544781 GWWBKHSCGCQTAK-INIZCTEOSA-N 375.359 3.660 30 40 GHEB N#CCCn1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c2ccccc21 4843805 RNLDHSOQFOIJBK-UHFFFAOYSA-N 389.440 3.975 30 40 GHEB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCSC[C@@H]1C#N 95985596 UYHOTOVVYZLCAJ-AWEZNQCLSA-N 389.477 3.529 30 40 GHEB C=CCc1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc(OC)c1OC 26863662 JDIXETAXUYSYIB-AWEZNQCLSA-N 385.460 3.941 30 40 GHEB CCOC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648772 RGWGKRYTQJXCPT-IPMKNSEASA-N 393.867 3.965 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516548 UBBKURRLBHUXDA-GUDVDZBRSA-N 375.877 3.826 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(F)cc2)cc1 16995412 JRXPFABARVPBAL-BTYIYWSLSA-N 390.418 3.842 30 40 GHEB CC1=C/C(=N/N2CCOCC2)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 5160564 MTTBFVUQPVUQHG-RMJYUUNHSA-N 388.352 3.523 30 40 GHEB O=C(/C=C/N1CCN(/C=C/C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 2581572 KOFSQBNCKQROBO-WGDLNXRISA-N 382.410 3.675 30 40 GHEB CCOC(=O)c1ccc(C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1 16713133 QRUDRDIJGNUXGO-SFHVURJKSA-N 382.485 3.942 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(F)cc2)no1 102733393 UVINXAOLCKKYDN-UYTDBDHRSA-N 384.388 3.810 30 40 GHEB N#Cc1ccccc1OCC(=O)OCC(=O)N(c1ccccc1)C1CCCCC1 8142127 VVKRZYRALCAYNU-UHFFFAOYSA-N 392.455 3.846 30 40 GHEB CC(C)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccs1 58209625 ROAAOMOWKWTOBI-IBGZPJMESA-N 379.489 3.731 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br 12851238 HNDLEPUEFOOSBI-UHFFFAOYSA-N 395.326 3.883 30 40 GHEB N#Cc1ccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 4600984 VCXVYZPXOPGZDM-XMMPIXPASA-N 381.435 3.748 30 40 GHEB CCCCc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2 95474437 HLFUASUBEAQOBR-UHFFFAOYSA-N 385.508 3.538 30 40 GHEB C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1OCCC 409085469 ZATFBAGUYWTGHS-SFQUDFHCSA-N 388.489 3.709 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896882 YRWJOSMAIHJPOJ-UHFFFAOYSA-N 394.880 3.688 30 40 GHEB Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@H]1CCCC[C@H]1C#N 598091626 VPDQYIYCTXCBHC-GJZGRUSLSA-N 379.489 3.667 30 40 GHEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(Br)cc4)cnc3c2c1 780343 LGWYOISOHHIZFE-ZVBGSRNCSA-N 381.233 3.831 30 40 GHEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 4952275 HEQLQHNMWPJCQT-FDJFIASXSA-N 397.500 3.948 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc(Cl)c1 2463612 TTWYMDVGDMDVDJ-XHDPSFHLSA-N 376.865 3.718 30 40 GHEB O=C(O)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1C(=O)O 2559150 WYVUDNGZCSTNTR-UHFFFAOYSA-N 386.150 3.863 30 40 GHEB C=CCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OCC)cc1)CCC2 4553407 SFRSCMOUTHONPU-UHFFFAOYSA-N 399.516 3.602 30 40 GHEB O=C1/C(=N\Nc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1 4603427 XLHFZESYKVQHLF-ATJXCDBQSA-N 385.383 3.814 30 40 GHEB O=C(O)c1ccc(COc2ccccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 4712057 OHDCZBZDYRWJNB-WSDLNYQXSA-N 392.371 3.713 30 40 GHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(C(F)(F)F)ccc1Cl 5012152 SDQVNZBNQMLEFP-UHFFFAOYSA-N 392.768 3.952 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCO3)SC1=S 7156103 MWWNXKNVIALLIY-WDZFZDKYSA-N 384.276 3.565 30 40 GHEB CC(=O)/C(=C\n1c(=S)[nH]c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 8651970 OCWBSMREEAJGEV-GXDHUFHOSA-N 382.401 3.676 30 40 GHEB CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C 8777194 ZDZXNCMOXSCRAK-RCLKMUNOSA-N 392.455 3.709 30 40 GHEB N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 21473103 GURIPEFAJWPXCM-INIZCTEOSA-N 383.473 3.557 30 40 GHEB N#Cc1c(CCCCCNc2nc(-c3ccncc3)nc3ccccc23)n[nH]c1N 23055012 NDTLJWBSBGRVCA-UHFFFAOYSA-N 398.474 3.694 30 40 GHEB CCc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccc(Cl)cc1 40397409 VGHCNNXKFQZYBB-UHFFFAOYSA-N 384.892 3.857 30 40 GHEB CCCCCCCCCOC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC 73295737 LTCDSUZIFHLDRH-SFHVURJKSA-O 398.501 3.608 30 40 GHEB C/N=C1/S/C(=C\c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)C(=O)N1C 408857698 PJGXNJGKWGSNLX-LBVWADOBSA-N 390.848 3.919 30 40 GHEB CC/C(=N/OC/C=C/Cl)C1=C(O)C[C@@H](C[C@H](C)S(=O)(=O)CC)CC1=O 1569999065 GLOKEOJMCXNRJB-UNALHPMNSA-N 391.917 3.526 30 40 GHEB CCOc1ccc(/C=N\OC(=O)c2ccccc2I)cc1 12411689 IAXUGYXNGXKNSJ-WQRHYEAKSA-N 395.196 3.881 30 40 GHEB O=C(Nc1cccc(C#Cc2cccs2)c1)C1CCN(C(=O)C2CC2)CC1 25746355 IGIUTQKZKIRXIJ-UHFFFAOYSA-N 378.497 3.735 30 40 GHEB COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c1 62001286 JMCGLZFEQPGSLA-JMIUGGIZSA-N 393.439 3.943 30 40 GHEB biogenic CCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 4777011 PWPMHQQGAWUSTG-MRXNPFEDSA-N 399.476 3.956 30 40 GHEB CC[C@H](C)c1ccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4738596 DBOKWBDQKRVFRX-IDDYBALXSA-N 393.443 3.810 30 40 GHEB Nc1nc(N2CCCCC2)nc2c1[C@@H](c1ccccc1F)C1=C(CCCC1=O)N2 20673764 HYRAOKBJMJHNIM-KRWDZBQOSA-N 393.466 3.753 30 40 GHEB C[C@H](Oc1ccc(/C=N\c2cccc(I)c2)cc1)C(=O)O 408852670 MMIYWBCQSRYXAL-TZQXVGBESA-N 395.196 3.894 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 33323475 WMLVJOLHPPRELB-NDENLUEZSA-N 399.428 3.784 30 40 GHEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2cc(F)cc(F)c2N1C1CSC1 223748744 SYPILXKCWRDRPE-JCMHNJIXSA-N 379.819 3.896 30 40 GHEB C=CCn1c(SCCCC(=O)OCC)nc2sc3c(c2c1=O)CCC3 5709425 RJPDRYYOHYWSDK-UHFFFAOYSA-N 378.519 3.568 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 12062911 YMCXQLGEMJSTEO-FQEVSTJZSA-N 391.423 3.850 30 40 GHEB CC(=C/c1ccccc1)/C=N/NS(=O)(=O)c1ccc(Br)cc1 2751696 OWWYAPLQCPPCRH-APKIYPECSA-N 379.279 3.817 30 40 GHEB N#Cc1ccc(CN2CCN(c3cc(C(F)(F)F)nc(C4CC4)n3)CC2)cc1 1888860353 IFDLMIZAKFONEA-UHFFFAOYSA-N 387.409 3.567 30 40 GHEB C[C@H]1CCc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c(C#N)c2C1 4072564 UOLRWBWZDKYMGH-LBPRGKRZSA-N 393.468 3.650 30 40 GHEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1)CCCC2 215707042 QDMZSBBKZOSTSD-UHFFFAOYSA-N 392.406 3.977 30 40 GHEB COc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)cc1OC 4853632 GLPUMOGHEZGRJO-OEAKJJBVSA-N 377.448 3.860 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2ccc(C)cc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 1758830 ITYCOBHEGFQMOE-QMHWCDLVSA-N 376.456 3.860 30 40 GHEB C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 11052189 PGSNLPWQXDOPNY-ZDUSSCGKSA-N 398.488 3.588 30 40 GHEB COC(=O)[C@@H]1C(=O)C=C(Nc2cc(OC)ccc2OC)C[C@@H]1c1ccccc1 1080000 WHEMSCCUAMVRDZ-UTKZUKDTSA-N 381.428 3.545 30 40 GHEB C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 12909417 VRTWDYLPYSFSLN-UHFFFAOYSA-N 398.528 3.615 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O 12936777 IZRIYRQKVPVBLJ-MRXNPFEDSA-N 389.908 3.510 30 40 GHEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1C(=O)O 408532729 VOEQWAXGYPRGRY-DHDCSXOGSA-N 388.832 3.938 30 40 GHEB COc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1OC 409402450 IDCADBZLITVRPT-UHFFFAOYSA-N 385.423 3.963 30 40 GHEB CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCC#N 408743733 UQUXPHSQXDAZLS-SFQUDFHCSA-N 377.396 3.978 30 40 GHEB COc1cc2c(cc1OC)C1=C/C(=N/Nc3ccccc3)C(=O)N1C(C)(C)C2 5444217 HJXZRHOGLBIEMM-ULJHMMPZSA-N 377.444 3.690 30 40 GHEB CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccccc1 409331013 NYJDFMYJAGDIEA-JAIQZWGSSA-N 386.498 3.859 30 40 GHEB Cc1cccc(CN2CCO[C@]3(CCCN(Cc4cccc(C#N)c4)CC3)C2)n1 306134391 NLRGTKGSVUSQQT-DEOSSOPVSA-N 390.531 3.519 30 40 GHEB Cc1ccc2c(c1)-c1nc(N)c(C#N)c(-c3ccccc3)c1CCS2(=O)=O 31895412 CDEXZLLGCPPROD-UHFFFAOYSA-N 375.453 3.508 30 40 GHEB CN(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(O)c1 1531383937 CLODIIDOPABCNP-BUVRLJJBSA-N 384.439 3.717 30 40 GHEB O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(/N=C2\NCCCS2)cc1 16436634 CMPHRRDFEILIPA-KRXBUXKQSA-N 383.429 3.911 30 40 GHEB C=CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC 4498609 VJGMKJUILMNSNB-LGMDPLHJSA-N 386.517 3.993 30 40 GHEB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cn2ccccc2c1C#N 40040080 BDCFZMRLWMFPDM-QFIPXVFZSA-N 385.423 3.818 30 40 GHEB COc1cc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC 2624079 FBTSTTZYKSKDFY-UHFFFAOYSA-N 386.473 3.706 30 40 GHEB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N/N=C1/C[C@H]2CC=C[C@H]12 33621598 KLANTZAZLUKKIA-NRFJRPOPSA-N 398.444 3.760 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)OC[C@H]1CCCO1 58158933 HDLKEKJJSXOICR-CRAIPNDOSA-N 381.432 3.577 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 4026042 VUCLZXQOYVRHRE-YPFPNKMGSA-N 399.531 3.672 30 40 GHEB biogenic C/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccc(N2CCOCC2)cc1 5692691 PTGWIKPZXJANDF-HAVVHWLPSA-N 382.533 3.851 30 40 GHEB C=CCN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1nc(-c2ccccc2)cs1 14723604 VGZKDHRJXSTOIB-UHFFFAOYSA-N 397.460 3.751 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccccc1O 409147707 YTLBLKIQDXNCGW-HHIGOXTDSA-N 394.430 3.618 30 40 GHEB CCn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)c(C)n1 225393945 MTSYFPXGXYMLGY-GQCTYLIASA-N 387.233 3.976 30 40 GHEB C=CCn1c([C@H](O)C(C)C)nnc1N1CCC2(C=Cc3ccccc3O2)CC1 1262968222 XFXHLROQCCDZLS-LJQANCHMSA-N 380.492 3.598 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c21 12113524 HXMNLGMIGOPUNJ-XJKSGUPXSA-N 398.532 3.602 30 40 GHEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CCCC2 14526139 QFXHYJUQENNFJG-KRWDZBQOSA-N 388.515 3.926 30 40 GHEB C/C(=N\OC[C@@H](O)CNCCSCc1ccccc1)c1ccccc1Cl 17142928 OWCXOARYKZIWND-RPNTZMPASA-N 392.952 3.965 30 40 GHEB N#Cc1ccc(COCC2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 77191655 RPWARJOGNKOBOR-UHFFFAOYSA-N 381.451 3.565 30 40 GHEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 5377150 KLMRJEAUFFHLGG-LIRRHRJNSA-N 377.835 3.742 30 40 GHEB N#Cc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 5456426 CKXJWSYZPBRILL-UHFFFAOYSA-N 383.407 3.726 30 40 GHEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC(N)=O)n2)cc1 8843601 BHWJZGIRHPPVNA-UHFFFAOYSA-N 381.379 3.615 30 40 GHEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1ccc(N(C)C)cc1 13583271 NHBUHMQPMQFPJT-PZDRDZTCSA-N 380.517 3.915 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 19208998 RGVWNEAJUQIXCZ-FQEVSTJZSA-N 396.462 3.664 30 40 GHEB N#Cc1ccccc1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 24828995 LZYXIUQYGCUYAA-UHFFFAOYSA-N 390.512 3.529 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(NC(C)=O)ccc21 100704018 QXJYNVRBKLXUOW-JZJYNLBNSA-N 389.889 3.750 30 40 GHEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218385582 FECUZVSYGSPPAZ-JKSUJKDBSA-N 377.252 3.967 30 40 GHEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCCCOC)c1 219783864 OGOZMKHMCYVOKT-UHFFFAOYSA-N 382.460 3.660 30 40 GHEB CCOC(=O)c1cccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1 409098915 RIUYZWHZXZUEQA-NVMNQCDNSA-N 393.193 3.990 30 40 GHEB CCOC(=O)N1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C#N)C1 4280349 WTNJBEUIQMSFLF-UHFFFAOYSA-N 399.472 3.542 30 40 GHEB C=CCSc1nnc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1 4335060 ARXMNSNRQBSQGN-UHFFFAOYSA-N 382.880 3.992 30 40 GHEB CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)C1(C#N)CCCCC1 4935892 UZAFQVWAEZQNRP-UHFFFAOYSA-N 395.532 3.922 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2)cc1 5800645 JQABHQTYEDVZIT-KRWDZBQOSA-N 391.452 3.938 30 40 GHEB CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)s1 9088625 HMJBQBWHYQDVFW-CYBMUJFWSA-N 399.453 3.636 30 40 GHEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)CCc2nnc(-c3ccsc3)o2)c1 48472177 QMRHSKNVZNCWAY-UHFFFAOYSA-N 391.474 3.693 30 40 GHEB N#Cc1cccnc1N1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 70929257 SAOOHBSYIOUGDU-UHFFFAOYSA-N 388.393 3.618 30 40 GHEB C#CCn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cc(NC(C)=O)ccc21 100703294 RJGMZTQAZVVPJJ-QOCHGBHMSA-N 383.860 3.689 30 40 GHEB C[C@@H](Oc1ccc(/C=N\c2cccc(I)c2)cc1)C(=O)O 408852667 MMIYWBCQSRYXAL-IPHDDYSGSA-N 395.196 3.894 30 40 GHEB N#CC1(c2ccc(C(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2)CC1 600230932 CGBZNFZFCPNJFX-SJLPKXTDSA-N 386.373 3.906 30 40 GHEB Cc1cccc(S(=O)(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c1C#N 1561174679 LTDTUXRXRQCQOE-KRWDZBQOSA-N 392.427 3.824 30 40 GHEB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 6602608 CDKHRQVBZCGTCR-WEVVVXLNSA-N 395.411 3.565 30 40 GHEB COc1cccc(CC/C(O)=N/S(=O)(=O)c2ccc(F)c3ncccc23)c1 62581366 PSKIVJFJFFHOHH-UHFFFAOYSA-N 388.420 3.661 30 40 GHEB C=CCNC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCCC2 5027477 ZFEIVHAXTUZJSC-UHFFFAOYSA-N 384.501 3.869 30 40 GHEB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(C#N)c1 6401196 LYEKCVOAPZPRIP-UHFFFAOYSA-N 394.349 3.620 30 40 GHEB CC/N=C1/S/C(=C/c2ccc(I)cc2)C(=O)N1CC 408929505 KIPFBARKIHCBCY-KDKDSYKCSA-N 386.258 3.603 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cnn(CC)c1 36631361 IOCSSHWOHYRHJT-UHFFFAOYSA-N 396.520 3.641 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@@H]2c2ccc(Br)cc2)cc1 218234600 LXHDBWNEWCSUIY-IXDOHACOSA-N 379.275 3.512 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)c2C#N)C1 2616800 SVTFJIYJLLSIBM-SNVBAGLBSA-N 395.406 3.564 30 40 GHEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 8112816 IJJIQMTXWUGXOR-IBGZPJMESA-N 399.443 3.653 30 40 GHEB C[C@H]1CC(=O)c2c(OCC(=O)N(CCC#N)c3ccc(F)cc3)ccc(F)c21 32789274 DVLXZPIFHNLDPO-ZDUSSCGKSA-N 384.382 3.980 30 40 GHEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1cccc(Cl)c1 408741762 NSAXYDUKTAXMDR-UMXKZIAQSA-N 392.267 3.760 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(C)cc1 7720225 DAVREBVHOCXKHP-UHFFFAOYSA-N 393.443 3.891 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1)[C@@H]1C[C@@H]31 409089373 MFOBUQPPGVQPJX-CSOSSZKNSA-N 398.462 3.653 30 40 GHEB O=C1CS/C(=N\c2cnn(Cc3ccc(F)cc3)c2)N1CCc1ccccc1 17080609 VTWMCNLGYIMQID-FLFQWRMESA-N 394.475 3.876 30 40 GHEB Cc1cc2occ(CC(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)c2cc1C 5628159 CYWCKAGYARPVIT-MRXNPFEDSA-N 382.460 3.867 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6945973 MFQVDCSTZZXAQA-UHFFFAOYSA-N 397.368 3.583 30 40 GHEB CCOn1c(N/N=C/c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 8659736 CXBHSCWBDJGRLO-KEBDBYFISA-N 377.231 3.598 30 40 GHEB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 18195066 GXXOEMNERKORLX-HXUWFJFHSA-N 377.419 3.827 30 40 GHEB O/C(=N\c1nnc(CCN2CCCCC2)s1)c1ccc(Br)cc1 51127097 ZXNOJWIAFYDARW-UHFFFAOYSA-N 395.326 3.965 30 40 GHEB C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OCC)c1OC 198112606 GOCNPOPKEAXRCJ-UYRXBGFRSA-N 392.480 3.593 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 626248 YPMDVYICJHXBSE-HXUWFJFHSA-N 382.504 3.920 30 40 GHEB COc1cc(/C=N/N=c2/sc3ccccc3n2C)cc(Br)c1O 1155951 UNKGMNJMCVRIIY-LBFRFMMHSA-N 392.278 3.651 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(C)cc1 2425777 ZSDOEGAVPCRGRA-DHRITJCHSA-N 394.438 3.671 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(O)c1 4186892 ACTWUIQIPUOVDZ-ZQBYOIRZSA-N 378.428 3.623 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccncc4)nc13)O2 5346092 JELQTVIMCLAOSZ-SFHVURJKSA-N 395.422 3.718 30 40 GHEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)N(C)C)ccc3C1=O)cn2C 9422953 OZUBQHHINMYLID-AWQFTUOYSA-N 392.411 3.864 30 40 GHEB CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccccc1)C2 17079311 DERFBXSMYLWUCC-QZTJIDSGSA-N 388.467 3.724 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 19138516 LTSLEDCOTUMLEE-QUCCMNQESA-N 377.440 3.752 30 40 GHEB N#Cc1ccccc1-c1ccc(COC(=O)CNC(=O)Cc2ccccc2)cc1 23452542 JMRQKLSYUFQVBP-UHFFFAOYSA-N 384.435 3.627 30 40 GHEB Cc1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N2CCOCC2)cc1 27792954 OHBBSYFOKISYNF-SFHVURJKSA-N 378.432 3.600 30 40 GHEB Cc1cc2nc(CO[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]3F)[nH]c2cc1C 96112333 UPDDDBOYGURWID-NQIIRXRSSA-N 378.451 3.791 30 40 GHEB biogenic,in-vitro COc1ccccc1[C@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1Cc1ccco1 102928308 INUHWNHCYGFNLB-NHFXJNLRSA-N 389.407 3.910 30 40 GHEB FC(F)(F)C(OCOCOC(C(F)(F)F)C(F)(F)F)C(F)(F)F 115058130 FIWUUJIBWKPLLB-UHFFFAOYSA-N 378.109 3.938 30 40 GHEB N#Cc1cccc(NC(=O)c2nnn(Cc3ccccc3F)c2-c2ccncc2)c1 206643293 NXAFEEWUJBXLCR-UHFFFAOYSA-N 398.401 3.651 30 40 GHEB Cn1cccc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531209936 DJQKOKABAUPNRZ-JAIQZWGSSA-N 387.281 3.677 30 40 GHEB Cc1ccc(C#N)c(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)n1 1889116265 IVYMDWCDFSRCPT-UHFFFAOYSA-N 376.382 3.971 30 40 GHEB Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCCCC1 7238967 KAAVXVQJAPWNQB-UHFFFAOYSA-N 397.500 3.684 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccco1 795019 YVDUGMMVJRLCSP-YVEFUNNKSA-N 387.819 3.690 30 40 GHEB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)CCC#N)c3N2)cc1 3012712 ANWXADMDEGGNNS-HOTGVXAUSA-N 391.397 3.838 30 40 GHEB O=c1nc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]c2ccccc12 6651544 PZJQLCYAMMLPIB-RGVLZGJSSA-N 375.344 3.537 30 40 GHEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC 6906887 FRYSEBRCJQCBOR-LDADJPATSA-N 382.416 3.738 30 40 GHEB CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CO 100503716 DIJIUKMUHVNJTD-LJQANCHMSA-N 388.545 3.907 30 40 GHEB C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OCC)c1O 101655161 PCCISALKRCPCJZ-WQRHYEAKSA-N 396.418 3.751 30 40 GHEB CC(=O)Nc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59248819 UUVNHFNNDKEXNU-YBFXNURJSA-N 392.253 3.588 30 40 GHEB C=CCN(C(=O)c1cccc(CN2CCCC2=O)c1)c1nc2c(s1)CCCC2 21598049 KWTVYBGGGHUHGR-UHFFFAOYSA-N 395.528 3.977 30 40 GHEB O=C1CCCC2=C1[C@H]([C@H]1CC=CCC1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673973 CAPVEHCSKDCDTB-YOEHRIQHSA-N 380.492 3.633 30 40 GHEB O/N=C1/C[C@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@H]2CO[C@H]1O2 105260613 ARSOMLNPDAIQKS-LQUCLJDKSA-N 379.388 3.517 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)OC[C@H]1CCCO1 58158934 HDLKEKJJSXOICR-MAUKXSAKSA-N 381.432 3.577 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC 2297895 JORYTAKTHLTIRN-FQEVSTJZSA-N 399.487 3.871 30 40 GHEB O=C(/C(=C(\S)Nc1ccccc1)[n+]1ccccc1)c1ccc2c(c1)OCCO2 3340644 BIYFCNSJISZZMK-UHFFFAOYSA-O 391.472 3.796 30 40 GHEB Cc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c(F)c1 48340600 VJTOEAMTKXEQRH-LBPRGKRZSA-N 383.448 3.548 30 40 GHEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(OC)c1O 408766434 QMZJLTOSSPMJCK-DHDCSXOGSA-N 390.848 3.954 30 40 GHEB C#CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 72284848 FLRKONFLBFSADV-KSSFIOAISA-N 385.508 3.923 30 40 GHEB COc1ccc(C(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)cc1 77191701 DBALTHUDFNIJMQ-UHFFFAOYSA-N 378.472 3.678 30 40 GHEB N#Cc1c(COC(=O)COc2cccc(Br)c2)cn2ccccc12 14858055 BKUBQOKLROCOQN-UHFFFAOYSA-N 385.217 3.696 30 40 GHEB COC1=C(Nc2ccc(C)cc2)C(=O)C(OC)=C(Nc2ccc(C)cc2)C1=O 1680318 PBIWDCVLCRFLCP-UHFFFAOYSA-N 378.428 3.695 30 40 GHEB C=CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2ccccc21 4485701 VAOXMPANGSAPNW-UHFFFAOYSA-N 376.485 3.951 30 40 GHEB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 4993028 MXNFUPKISJYZEI-IBGZPJMESA-N 375.424 3.827 30 40 GHEB C#CCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5235943 XUURGMOCFDMAHZ-AWEZNQCLSA-N 379.847 3.852 30 40 GHEB C=CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 5619145 YPLIUXNAXRUMPG-UHFFFAOYSA-N 379.441 3.528 30 40 GHEB CC(=O)/C(=C/n1c(=S)[nH]c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 5734234 OCWBSMREEAJGEV-UVTDQMKNSA-N 382.401 3.676 30 40 GHEB CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 12539855 JQFIEZOIVXVGLA-UHFFFAOYSA-N 378.432 3.552 30 40 GHEB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 13996961 MARRREFXKYPRJA-FQEVSTJZSA-N 383.455 3.739 30 40 GHEB CSCc1nnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 22094323 OPRFGPZUFDESBL-UHFFFAOYSA-N 376.507 3.588 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 58158203 BNHOTMWATJIOSH-LJQANCHMSA-N 394.519 3.835 30 40 GHEB CCCCOc1ccc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70929282 FTFBOEVUOGKLOD-UHFFFAOYSA-N 392.503 3.779 30 40 GHEB COc1ccc(S(=O)(=O)/N=C2\C=CC=C\C2=C/C=C2C=CN(O)C=C2)cc1 137332212 MYEJOKLXXLVMPR-STNHEDLKSA-N 382.441 3.536 30 40 GHEB O=[N+]([O-])c1cc(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1O 409037746 YWJZBGGDVVMYHD-OQOIWIOPSA-N 383.607 3.668 30 40 GHEB CCCO/C(=N\C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)SC 102939384 AISUBTGZMCSDFD-LKRWSQIDSA-N 376.503 3.968 30 40 GHEB Oc1ccc(-c2cs/c(=N/C3CC3)n2/N=C/c2ccc(F)cc2F)c(O)c1 102836269 ZLDOUPPLCHHQPJ-RBMFYTMUSA-N 387.411 3.851 30 40 GHEB CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)C[C@H](C)C#N 107089980 DNMIXBAOKYPPHQ-YLJYHZDGSA-N 378.476 3.747 30 40 GHEB CN1C(=O)/C(=C/c2ccsc2)S/C1=N/c1ccc(N2CCOCC2)cc1 408928406 AXAKXVLSHFOAIN-QLJNEMMGSA-N 385.514 3.819 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)NC1=S 408901792 CIDKFFZTLJKDJG-LDADJPATSA-N 393.512 3.524 30 40 GHEB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18196238 KCTYMXTWPYUJTL-APPDUMDISA-N 397.891 3.991 30 40 GHEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccccc3)o2)cc1C 408777854 KHCXATXNXWVIJR-YDZHTSKRSA-N 375.428 3.902 30 40 GHEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(I)c1 225013521 DHBGDGCEKCSOSY-UHFFFAOYSA-N 376.197 3.918 30 40 GHEB Cc1nn(-c2ccccc2)c(O)c1/C=N/Nc1ncnc2sc3c(c12)CCC3 96305906 YDHUCNZAWZJECU-AUEPDCJTSA-N 390.472 3.826 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 5691037 IMOZVVRFTGLEME-CRAIPNDOSA-N 383.469 3.814 30 40 GHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 5901201 RDKAFYPVIHQORB-GHOUAXAESA-N 398.411 3.650 30 40 GHEB biogenic Oc1ccc(Br)cc1/C=N/N=C(/Nc1ccccn1)c1ccccn1 13100304 KWMXFMRHVAHWTD-WSDLNYQXSA-N 396.248 3.838 30 40 GHEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCC)cc3)c2C#N)C1 4281030 ZEGOVHPKDSDFGP-UHFFFAOYSA-N 399.472 3.785 30 40 GHEB COc1ccc([C@@H]2O[C@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3c2ccccc2)cc1 4844216 MSQNXJQXDDDHNZ-VKUXKFIQSA-N 398.422 3.818 30 40 GHEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(CCC#N)CCC#N)c2n1 8704828 CWBORQBEROAWFS-UHFFFAOYSA-N 391.258 3.885 30 40 GHEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 9419417 BTEPKEVTDXIHCC-ODLFYWEKSA-N 398.392 3.672 30 40 GHEB CCOc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608245 OENGJXLOGXUQQD-QLJPJBMISA-N 392.381 3.964 30 40 GHEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccco2)C3=O)cc1 68736424 BTEPKEVTDXIHCC-YBFXNURJSA-N 398.392 3.672 30 40 GHEB COc1cc(/C=C2/COc3ccc(Br)cc3C2=O)cc(OC)c1O 96973231 ROCLMZWPMIYBBY-WZUFQYTHSA-N 391.217 3.831 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 102879219 GRPHRKOPLNNGHB-LFVOPCPISA-N 383.419 3.592 30 40 GHEB CCCN/C(CCC)=C1/C(=O)C[C@@H](C[C@@H](C)SCC)[C@H](C(=O)OCC)C1=O 103217353 SDEDOURAMKIHON-QOWQDHGQSA-N 397.581 3.909 30 40 GHEB C[C@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2)C[C@H]2[C@@]3(C)CC[C@@]2([C@@H](C)C(=O)O)C(=O)[C@@H]13 104200100 AWVZNWWDGGUAQE-KHXWPZCUSA-N 399.447 3.725 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c2C)cc1 408589641 MIORZZAOSQQVJQ-UVROCMRSSA-N 399.494 3.790 30 40 GHEB CCOC(=O)c1sc(N/N=C/c2ccc(OCC)cc2OCC)nc1C 408718457 PBIFFXLDVRGAHT-YBFXNURJSA-N 377.466 3.872 30 40 GHEB COc1cc(OC)c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(OC)c1 408964952 IVEDIHUUSOLMLU-LICLKQGHSA-N 388.420 3.743 30 40 GHEB C=CCOc1ccc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 8772497 FELRQKNNVIWYLE-UHFFFAOYSA-N 390.487 3.816 30 40 GHEB CCCN/C(CCC)=C1/C(=O)C[C@H](C[C@@H](C)SCC)[C@H](C(=O)OCC)C1=O 103217350 SDEDOURAMKIHON-UFYIUTPJSA-N 397.581 3.909 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 106519803 MPRLKIZTABBKSB-NSBVLCQTSA-N 391.556 3.598 30 40 GHEB C=CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1nc2c(s1)CCCC2 12773796 OXLGREGUTOTZTJ-UHFFFAOYSA-N 397.479 3.883 30 40 GHEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)CC12CC3CC(CC(C3)C1)C2 17081447 HSYFLLQTTTUHOH-UHFFFAOYSA-N 398.429 3.632 30 40 GHEB CN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1(C#N)CCCCC1 8157208 MUFKGYKAOVDDQK-IBGZPJMESA-N 397.519 3.670 30 40 GHEB COc1cc(/C=N/O[C@@H](C)C(=O)N(C)c2ccccc2)cc(Cl)c1OC 14340854 CYMLMBJCBCKYFO-XMOVILSBSA-N 376.840 3.759 30 40 GHEB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCC#Cc3ccccn3)cc12 95428350 CVXPVXRPKDOVQM-UHFFFAOYSA-N 390.443 3.711 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1 408709932 ZROUXSIHWHIURK-UHFFFAOYSA-N 399.535 3.652 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1OCc1ccc(F)cc1 409354491 GLKIAZCIILANPL-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C=O)[C@@H]2c2ccc(Br)cc2)cc1 218234523 LXHDBWNEWCSUIY-ULQDDVLXSA-N 379.275 3.512 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219855359 SMKXHNZLMKDCRE-UHFFFAOYSA-N 377.488 3.766 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)cc1 225824473 LAKYYJFBXSFDSR-UHFFFAOYSA-N 396.472 3.797 30 40 GHEB O=C(O)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F 100045419 HFUCGDPRBKRBFR-UHFFFAOYSA-N 380.056 3.741 30 40 GHEB in-vitro CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 19731302 IIDIQSTVEROVTK-GOSISDBHSA-N 389.835 3.600 30 40 GHEB COC(=O)c1cccc2[nH]cc(C[C@@H](C#N)C(=O)NCc3ccccc3Cl)c12 61718966 PYKOJVAPDYAGOA-AWEZNQCLSA-N 395.846 3.607 30 40 GHEB CN(C)S(=O)(=O)c1cc(/N=C/c2ccccc2F)ccc1N1CCCCC1 100257751 CEJUQENKSUJHDY-PXLXIMEGSA-N 389.496 3.817 30 40 GHEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(OC)cc3OC)cc2F)CC1 12609590 NORJAHCBDFXTSH-JXMROGBWSA-N 398.478 3.881 30 40 GHEB Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3)[nH]c(=O)c2C#N)cc1 5238311 UHIGHIJJTSPAFX-AWEZNQCLSA-N 390.468 3.736 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccccc1 5350400 HKZINJPVGURRHU-LJQANCHMSA-N 398.422 3.884 30 40 GHEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccncc3)c(C)c12 6671619 DAXNLVGXHWPLIY-UHFFFAOYSA-N 392.455 3.619 30 40 GHEB Cc1nnc(SCC(=O)N(C)C2(C#N)CCC(C)CC2)n1Cc1ccccc1 8850192 XIDCUZXTWFHLKM-UHFFFAOYSA-N 397.548 3.658 30 40 GHEB Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(C)c3)[nH]2)cc1 20477872 PTAAOPUGFJQUSF-UHFFFAOYSA-N 379.489 3.737 30 40 GHEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1Cl 409047960 VIELTIVLBKANDH-LGMDPLHJSA-N 382.872 3.956 30 40 GHEB N#CC1(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CCCCC1 6532070 FDHWBGBOEPEYLA-UHFFFAOYSA-N 395.532 3.639 30 40 GHEB N#CC1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218382474 YKWAEXZLWNAEKA-JKSUJKDBSA-N 377.252 3.967 30 40 GHEB CC(C)=C[C@@H]1[C@H](/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)C1(C)C 42338770 ITSZTNKNPIXLEP-RHSMWYFYSA-N 379.478 3.732 30 40 GHEB Clc1ccc(Cn2cc(/C=N\Nc3nnn[nH]3)c3ccccc32)c(Cl)c1 5395224 OHEUOIGEXRYWIW-ZBKNUEDVSA-N 386.246 3.956 30 40 GHEB CC(C)(C)OC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 1857791972 REYNVEBGFQGBTG-UHFFFAOYSA-N 376.456 3.848 30 40 GHEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 78549530 QBHFCVQZDSXXDP-OAHLLOKOSA-N 380.473 3.806 30 40 GHEB CCCOC1(NC(=O)c2ccc(Br)cc2)C(C)=CC(=O)C=C1C 4263320 YPHOBKCITAKZHY-UHFFFAOYSA-N 378.266 3.777 30 40 GHEB C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c(OC)c1 7408337 GZPCZKIHFMVYHB-UHFFFAOYSA-N 396.487 3.923 30 40 GHEB CC1(C)[C@@H]2CC=C([C@@H]3O[C@]45CCCC[C@H]4C(C#N)(C#N)[C@@]3(C#N)C(=N)O5)[C@@H]1C2 100787948 QKOHRCZMOIYJBF-ZOMSWSMRSA-N 376.460 3.815 30 40 GHEB N#Cc1c(C(=O)NOCCCc2ccccc2)cc(-c2ccc(F)cc2)nc1O 8655371 AZEFTKNREYHUFU-UHFFFAOYSA-N 391.402 3.759 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 3018616 SIDAFMLQSJERCM-SFHVURJKSA-N 384.432 3.762 30 40 GHEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(OC)cc2OC)C1=O 408974269 DROLVEWIJIXQMK-LDADJPATSA-N 379.412 3.581 30 40 GHEB COc1cc(CSc2[nH]c(=O)cc(C)c2C#N)c(OC)cc1Br 14165896 CDAIHJRARUYPLY-UHFFFAOYSA-N 395.278 3.627 30 40 GHEB Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18200627 WHGCJJNTZUDZDV-PIGZYNQJSA-N 381.823 3.522 30 40 GHEB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118935609 UIYVZBDIGKEIAK-XWRGVIDISA-N 388.504 3.992 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)N(CCCC)C(C)=C2C(=O)OC)cc1OC 409194923 FXDKIQPZIXGMLL-LGMDPLHJSA-N 385.460 3.733 30 40 GHEB COC(=O)c1cccc(C(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)c1 40133322 YQBOKNIALCEARL-UHFFFAOYSA-N 377.425 3.644 30 40 GHEB CCC1(CC)CC[C@@H](C(=O)OC)/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17105807 QCBDMLPVBNZKRR-RILUTCLRSA-N 378.385 3.660 30 40 GHEB N#CCCN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 20947686 OFJOFVYOZIUQOZ-FQEVSTJZSA-N 391.471 3.542 30 40 GHEB COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 4275310 JVYOHXGUVAJRSZ-UHFFFAOYSA-N 397.500 3.818 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccc(OC)cc2)cc1 51366796 YLJGWZUYNXTAHG-LZKUZYFISA-N 383.473 3.558 30 40 GHEB C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NC4CC4)c3)c(=O)c2c1 20745129 YTAISZCTDACFSC-UHFFFAOYSA-N 389.455 3.541 30 40 GHEB O=C(NCC#Cc1ccccc1)NCc1ccc(COCC(F)(F)F)cc1 32802827 ANNBGEUCYKUTDP-UHFFFAOYSA-N 376.378 3.616 30 40 GHEB CC(=O)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(C)cc21 1397271 QRAXJJARGDZYFI-QJOMJCCJSA-N 376.334 3.828 30 40 GHEB C=CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 100314342 OQGFVLOGJYPRCB-HZHRSRAPSA-N 377.444 3.808 30 40 GHEB COc1ccccc1NC(=O)COc1nc(-c2ccco2)c2c(c1C#N)CCC2 12324367 WQEJTOZLZAYPKG-UHFFFAOYSA-N 389.411 3.728 30 40 GHEB C=CCn1c(SCCNC(C)=O)nc2cc(-c3ccccc3)sc2c1=O 7978428 IXDGNSCZVUORMF-UHFFFAOYSA-N 385.514 3.539 30 40 GHEB CC(=O)Nc1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408965615 WKFCKELANLRFBE-RQZCQDPDSA-N 380.185 3.706 30 40 GHEB Cc1cc([C@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc(C)n1 97001608 SACBUYJTHBXSRT-ZDUSSCGKSA-N 387.321 3.652 30 40 GHEB CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408729390 BESBGKQBZYPTKE-INIZCTEOSA-N 375.768 3.725 30 40 GHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218572772 DJLNZCHPUUSVRH-FHWLQOOXSA-N 393.867 3.965 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218573026 RGWGKRYTQJXCPT-CEXWTWQISA-N 393.867 3.965 30 40 GHEB C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Cl)c3)oc12 226237079 LOCUITJCBAFJTH-UHFFFAOYSA-N 386.747 3.855 30 40 GHEB Cc1cccc(Cn2c(C#N)cc(N)c2N2CCN(c3ccc(F)cc3)CC2)c1 225870921 RGGSOJYZZRGSAY-UHFFFAOYSA-N 389.478 3.764 30 40 GHEB CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OCC 47010960 CUTLNNZXHMIKJY-UHFFFAOYSA-N 395.503 3.560 30 40 GHEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@](C)(C#N)[C@H]1C(=O)N(c2ccccc2)N=C1C 247996181 MKNWARFTXNRPCG-JHDGKUDLSA-N 399.454 3.594 30 40 GHEB C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[C@@H](C)O1 596693659 ALRLPBYUGJJBND-CVEARBPZSA-N 392.459 3.842 30 40 GHEB CCCCN=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC 2032946154 JUMQOMBRFKELOX-QGZVFWFLSA-N 391.537 3.924 30 40 GHEB COc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608188 PLZIEWGKTRXULA-VFZGTOFNSA-N 378.354 3.574 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1(c2ccsc2)CCCC1 217485355 ANUBZXJFFNMDPQ-UHFFFAOYSA-N 387.892 3.840 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)Nc2cc(NC(C)=O)ccc2F)c1C#N 31980683 ANMNAOJLUNGLSP-UHFFFAOYSA-N 384.436 3.902 30 40 GHEB O=C1C[C@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc21 2317085 XWGJIOQTBKLKGX-SECBINFHSA-N 382.178 3.809 30 40 GHEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1CCCCC1 3240258 DOAZDLSZJNDJDD-UHFFFAOYSA-N 380.469 3.879 30 40 GHEB CCOc1ccc2nc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)sc2c1 4583432 BXYLZWXFXQYKGM-UHFFFAOYSA-N 392.484 3.529 30 40 GHEB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)c1ccccc12 4993021 VAZFOBHMKJLQKG-IBGZPJMESA-N 375.424 3.827 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc(OC)cc(OC)c2)C1=O 7332398 NXCXDDXUTVGRRM-PDGQHHTCSA-N 395.411 3.531 30 40 GHEB C[C@@H](Oc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1)C(=O)O 13078272 NVNTYZUKQMMXBA-IBPQLXRUSA-N 388.803 3.859 30 40 GHEB C=CCOc1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(O)n3)C2)cc1 19016088 CUMNKOQOUSFMNQ-INIZCTEOSA-N 375.428 3.530 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1 40145031 HCMLNQGMRJHMSJ-UHFFFAOYSA-N 378.863 3.651 30 40 GHEB Cc1c(/N=C/c2cc(Br)c(N3CCOCC3)o2)cccc1C(=O)O 59250371 AMARNLGYIGFFIQ-VXLYETTFSA-N 393.237 3.636 30 40 GHEB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2SCCC#N)C1=O 95953514 PSOBSMQLONICLI-OAHLLOKOSA-N 395.484 3.835 30 40 GHEB COc1cccc(-c2csc(N/C=C3\C(=O)Oc4ccccc4C3=O)n2)c1 102814941 FFYMOZZKQOOCMY-GDNBJRDFSA-N 378.409 3.916 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965107 VOTUIDVDZFVACE-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB COc1ccc(/C=N/N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1OC 408726429 RNDJVKIUNMYSHW-WYMPLXKRSA-N 386.407 3.586 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\C=C\c2ccco2)C1=O 409051385 LLKQSGDWPBJPHO-GPIDLQMLSA-N 395.436 3.697 30 40 GHEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2ncccc2c1=O 31614891 OIJNUIQZEWIHPY-UHFFFAOYSA-N 394.500 3.579 30 40 GHEB C#CCOc1ccc(C[C@H]2SC(=O)N(CCCc3ccccc3)C2=O)cc1 6295378 DIQSVHZTJTXGNP-HXUWFJFHSA-N 379.481 3.938 30 40 GHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(N2CCCC2=O)c1 32908473 CTUYRCUDIODRIK-UHFFFAOYSA-N 381.435 3.861 30 40 GHEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F 102962215 UFASEKIARGLUCE-SLNYWTKHSA-N 383.448 3.948 30 40 GHEB CC[C@@]1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 2271834 MWMVFQSTOAPPDI-IBGZPJMESA-N 385.514 3.988 30 40 GHEB CCOc1c(Cl)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20196430 GPAIROFEOKZZSQ-WSDLNYQXSA-N 378.856 3.888 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(OCc2ccccc2F)c1 409347205 NDBRUNRLIQAYJM-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1cccc(C#N)c1 5626641 RMMBZBAATDBJCB-VIFPVBQESA-N 378.215 3.631 30 40 GHEB CC(C)[C@H](CC#N)OC(=O)CCc1nc(-c2cc(Br)cs2)no1 72310784 XRSJZBCFVCKKIJ-NSHDSACASA-N 398.282 3.975 30 40 GHEB C=CCSc1nnc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)s1 225295697 GDTDKRJCQPCTPN-UHFFFAOYSA-N 385.518 3.930 30 40 GHEB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 4585746 VGQXZJISYPNUAB-GFCCVEGCSA-N 388.514 3.790 30 40 GHEB C[C@@H](C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccs2)ccc1=O 56905917 BFVSMYAMXAXOLE-NSHDSACASA-N 384.848 3.697 30 40 GHEB CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(nnc2C2CCCCC2)S1 8601765 SBOITUPXFJQFAT-UHFFFAOYSA-N 382.489 3.874 30 40 GHEB C=CCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 4033554 SDUHAGJQEKWFHM-HNNXBMFYSA-N 377.444 3.760 30 40 GHEB N#Cc1ccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 4600983 VCXVYZPXOPGZDM-DEOSSOPVSA-N 381.435 3.748 30 40 GHEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccccc1OC 96936299 MSVIJWXBWHBVFS-MLSMKVKPSA-N 397.500 3.984 30 40 GHEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C(=O)N1CC 408930696 AWOFSPAARYHLPJ-WNEPPRNQSA-N 396.516 3.505 30 40 GHEB Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 408627749 NJUKZRHVPGLGTF-GFCCVEGCSA-N 399.541 3.945 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccc3nccnc23)S/C1=N\c1nccs1 13689683 FSERWTQNRKYEPM-GSLPTQAWSA-N 379.470 3.876 30 40 GHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 1166649 NBUJWPPXLSSTQG-YBEGLDIGSA-N 384.369 3.533 30 40 GHEB N#CCSC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N12 2964277 REWBZCLTOLFCFP-SFHVURJKSA-N 385.452 3.626 30 40 GHEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100895785 LFYCOCXDMCLGLI-CBFHDUEPSA-N 396.877 3.614 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2F)s1 102801329 MVXREOWYHZVVPE-IBOXJLQUSA-N 395.415 3.612 30 40 GHEB Cc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)C[C@@H](C)CC4)C2=O)cc1 103128809 PRNNTINGHVBPPU-LIRRHRJNSA-N 391.496 3.811 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C#N)C1 4496525 NIIPTJCTIBQKCL-UHFFFAOYSA-N 399.541 3.954 30 40 GHEB O=C1COc2ccc(C(=O)/C=C/c3ccc(F)c(Br)c3)cc2N1 5335876 KFSNQGFKGJZMLJ-GORDUTHDSA-N 376.181 3.815 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1Cl 7942334 AWOJJJAIOAUEGR-UHFFFAOYSA-N 392.286 3.761 30 40 GHEB O=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1 12378600 MGHXRNQQRSHYLC-CQSZACIVSA-N 393.390 3.953 30 40 GHEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCOCC3)o2)cc1 27795034 UQHZIRAKTSLEFI-GOSISDBHSA-N 378.432 3.600 30 40 GHEB O=C1/C(=N/NC(=S)Nc2ccccc2)c2ccccc2N1Cc1ccccc1 84539036 WVWFPYXZEUKJLZ-HIXSDJFHSA-N 386.480 3.924 30 40 GHEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCN(CCc2ccccn2)CC1 96345983 KNDZVZRGLBDYCA-SFTDATJTSA-N 399.498 3.577 30 40 GHEB COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc([N+](=O)[O-])c1O 408531370 LTNRXCVOIQKLKO-DHDCSXOGSA-N 385.401 3.509 30 40 GHEB Cc1cc([C@H]2NC[C@@H](C(=O)O)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 408975963 DEEHRXMBTIMBSV-IRXDYDNUSA-N 387.530 3.694 30 40 GHEB O=C1Oc2ccccc2C(=O)/C1=C\N[C@@H]1C[C@H](C(F)(F)F)Oc2ccccc21 1547200893 NPNNIPDRPJBDPS-MKLFLIHKSA-N 389.329 3.717 30 40 GHEB C[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)c1cccc(C(=O)c2ccccc2)c1 2171432773 NSYOSKFTKGXFLJ-HNNXBMFYSA-N 399.402 3.776 30 40 GHEB CCOc1ccc(OCC)c(NC(=O)COc2ccc(C#N)cc2OCC)c1 10637577 PYFUWXTZTJPUFL-UHFFFAOYSA-N 384.432 3.772 30 40 GHEB COC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)S 1857794319 DTJMXLBLDPYRKY-SFHVURJKSA-N 385.485 3.775 30 40 GHEB C=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21 9287189 FBBOWBRPAFIVDY-UHFFFAOYSA-N 391.652 3.754 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)C1(c2ccc(F)cc2)CCC1 54489305 ZTAKGSVFHBFDTM-UHFFFAOYSA-N 392.408 3.809 30 40 GHEB COc1cc([C@@H](C#N)NC(=O)Cc2ccc3ccccc3c2)cc(OC)c1OC 58218608 HBTQHAIPROJORC-LJQANCHMSA-N 390.439 3.789 30 40 GHEB COc1ccc2cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1 5575906 AUUSZJYWXZYXQX-RGVLZGJSSA-N 389.864 3.518 30 40 GHEB N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 5647373 HNXPPNJLSVYCBU-HYARGMPZSA-N 395.418 3.599 30 40 GHEB C=CCSc1nnc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)s1 8745089 RASMXYBMZIGFEG-HNNXBMFYSA-N 386.502 3.719 30 40 GHEB C[C@H](/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2)n1cnc2ccccc21 95461494 GITLRSRLCOBFSY-CQSZACIVSA-N 383.473 3.822 30 40 GHEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503440 BOTZEMOULBPEAR-UOOAFGRTSA-N 394.562 3.602 30 40 GHEB N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)c1 72322029 TVPPTYCNQQJVTM-FQEVSTJZSA-N 380.398 3.800 30 40 GHEB biogenic,in-vitro N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 585123612 KYLMIIJTJLVDNS-LMMKCTJWSA-N 390.439 3.689 30 40 GHEB CC1=C/C(=N\N2CCOCC2)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 16981536 MTTBFVUQPVUQHG-LITAXMHPSA-N 388.352 3.523 30 40 GHEB COc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 169935823 HOWCIFCXRJWIAH-OAQYLSRUSA-N 396.512 3.998 30 40 GHEB COc1cc(C(=O)OCc2ccc(C#N)cc2)cc(OC)c1Br 7269339 AEACNZLAYPOAIO-UHFFFAOYSA-N 376.206 3.695 30 40 GHEB O=C1C(Cl)=C(NC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc21 100933728 ZQLPKRQGSUVDAY-UHFFFAOYSA-N 380.875 3.770 30 40 GHEB biogenic,in-vitro CCOC(=O)c1sc(N)c(C#N)c1COc1ccc(F)c2c1C(=O)C[C@H]2C 32789280 SJEAUTPRRCDLPC-SECBINFHSA-N 388.420 3.787 30 40 GHEB N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1cccs1)N1CCOCC1 27794075 SUUHCLVERVDYIK-AWEZNQCLSA-N 386.502 3.822 30 40 GHEB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C#N)cc2)cs1 12852304 PSFLTYNZDHZJGO-UHFFFAOYSA-N 381.482 3.742 30 40 GHEB C#CCOc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408942961 RHEMYHXDZZEBAF-QGOAFFKASA-N 378.815 3.794 30 40 GHEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3cccs3)c2c1 8024018 GSJMQEJYYUTRDY-IBGZPJMESA-N 396.468 3.765 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 17081719 ZYPWWFHUSPFCHM-KGENOOAVSA-N 399.497 3.703 30 40 GHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(N(C)C)cc1 22608154 PDHJRPQHFBAXFM-QFYYESIMSA-N 391.397 3.631 30 40 GHEB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)/C=C/c3ccco3)c3ccccc32)cc1 4525632 GORCEZFKALAXDU-JHUUHBRDSA-N 387.435 3.995 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 6786424 RJAOPICTCYWHSV-UHFFFAOYSA-N 385.379 3.792 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408812630 SVFIWDIDOIKRLS-WYMLVPIESA-N 382.803 3.571 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cc(Cl)cc(Cl)c2)C1=O 408530869 FYIDGAOXZNXEFY-CQSZACIVSA-N 390.226 3.903 30 40 GHEB COc1ccc(OC)c(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c1 408846089 IJHDWNVPBCYIER-WQRHYEAKSA-N 384.457 3.912 30 40 GHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)COC)cc1 225660459 GEVNDJDNWWVQHI-AQNXPRMDSA-N 389.904 3.998 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1 17749042 AVMXACKOOQMPBZ-OAQYLSRUSA-N 392.499 3.833 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)Nc1nonc1N2 12408556 BETPWRJQEJECOB-GTNSWQLSSA-N 380.429 3.816 30 40 GHEB COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)cc2)cc1OC 4516886 GJIJRVFDOLHEOE-UHFFFAOYSA-N 394.406 3.872 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3275440 WQHFQRYXZWVZBR-UHFFFAOYSA-N 376.437 3.934 30 40 GHEB CC(C)Cc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)o1 27794167 AYMVGKORAXGVLS-SFHVURJKSA-N 388.899 3.884 30 40 GHEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 48365058 UIFKMSYVGVKYHT-HXUWFJFHSA-N 389.415 3.748 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)c1cc(Cl)nc(Cl)c1)NCC2 5322997 SALUPVYKQVEAGQ-LCYFTJDESA-N 379.243 3.775 30 40 GHEB CCc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)s1 5477367 WOLMHDGAJFYUTH-MHWRWJLKSA-N 387.324 3.776 30 40 GHEB COC(=O)c1cc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)ccc1Cl 409345259 KWEHWPAXTFWRLB-WSVATBPTSA-N 394.861 3.581 30 40 GHEB C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1 4814698 ZGIYUSURWUAOAP-UHFFFAOYSA-N 375.479 3.528 30 40 GHEB CCOC(=O)c1c(C)[nH]c(/C(C)=N/Nc2ccc(Cl)c(C(=O)O)c2)c1C 6844182 PCEQTAAZESPMHF-SRZZPIQSSA-N 377.828 3.996 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)cc2F)cc1 6820347 OKSAQYKNQBJYKH-GUYCJALGSA-N 383.394 3.978 30 40 GHEB CN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 25293565 NPACUESUBJWEGJ-UHFFFAOYSA-N 378.432 3.729 30 40 GHEB C#CCOc1c(Cl)cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OC 409080703 MHYYUOASOFVOLY-WJDWOHSUSA-N 388.851 3.586 30 40 GHEB C=CCOc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(OC)nn1 32104159 ZZNDMSIJSLOAHD-HNNXBMFYSA-N 391.431 3.668 30 40 GHEB COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242498710 HPMXGTLDTOSKPY-GUDVDZBRSA-N 375.877 3.745 30 40 GHEB C=CCn1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c(C)n1 19552301 HATXOJAEYAHESK-MRXNPFEDSA-N 395.532 3.569 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(Cl)c1Cl 5890336 SYQOVXMBXZZQJY-UHFFFAOYSA-N 394.170 3.569 30 40 GHEB Cc1cc(C)n(-c2cc(N/N=C/c3cc(Cl)cc(Cl)c3O)ncn2)n1 4713141 ZQPPUFGSURFJGS-QPSGOUHRSA-N 377.235 3.738 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 101231741 MEPJWVQSIOHYKN-GROYHEBESA-N 398.802 3.856 30 40 GHEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 16742391 RFTIEWWSLOYMOO-GOSISDBHSA-N 399.468 3.538 30 40 GHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cn2cccn2)cc1 24508183 XWDQDPAIJPKKJR-UHFFFAOYSA-N 383.373 3.732 30 40 GHEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccccc1Br 408583009 QVKGQWPSZFTWKV-UHFFFAOYSA-N 375.222 3.980 30 40 GHEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1cccc([N+](=O)[O-])c1 409124368 BKLIJTITLPJALL-ZROIWOOFSA-N 387.804 3.649 30 40 GHEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1ccccc1OC(F)F 32957670 RZGMVPAGPJOMBV-UHFFFAOYSA-N 386.310 3.701 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)Nc1nonc1N2 12409601 DIEFAULJNDTFRJ-GTNSWQLSSA-N 380.429 3.816 30 40 GHEB C=CCNC(=O)CSc1nnc2c3ccccc3nc(-c3ccc(C)cc3)n12 12462064 BXZNYEXBBGYKPN-UHFFFAOYSA-N 389.484 3.647 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)cc1Cl 12983236 PRBAESZCWPEFCC-UHFFFAOYSA-N 386.810 3.954 30 40 GHEB COC(=O)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 17176784 NNSMQURZKUOLIF-TVGQLCNQSA-N 389.451 3.518 30 40 GHEB COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 19137941 UTECWNFDJBXYDZ-FQEVSTJZSA-N 395.455 3.944 30 40 GHEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(O)c(O)c1 5376381 QAMFKETZBRLKFO-ZSOIEALJSA-N 391.246 3.752 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2C#N)C1 6578659 JHTDKGBFPPFJKG-LBPRGKRZSA-N 392.484 3.552 30 40 GHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cncc(Br)c1 24506723 AONHUNGWRWYELV-UHFFFAOYSA-N 383.167 3.644 30 40 GHEB COc1ccc(CN(CC(F)(F)F)C(=O)COc2ccccc2C#N)cc1 10998321 ZYJGYUOKBSSYFX-UHFFFAOYSA-N 378.350 3.537 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(O)c1 101315622 ACTWUIQIPUOVDZ-OACQNMCBSA-N 378.428 3.623 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 102514248 XAIIMXFNWFSLCT-SELCWUDQSA-N 380.400 3.817 30 40 GHEB CCCOc1c(Cl)cc(C(=O)Nc2cc(C)nn2CCC#N)cc1OC 54538047 XJKRKHKUEDAPBS-UHFFFAOYSA-N 376.844 3.808 30 40 GHEB CC(C)/N=c1/scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O 103461112 MWXYMRFSDRIXRJ-GWGSJNEOSA-N 375.475 3.586 30 40 GHEB COCCCCN1C(=O)[C@H](Oc2ccc(C)cc2C)[C@@H]1c1ccc(C#N)cc1 58157177 PBCORXPKOBXWSJ-FCHUYYIVSA-N 378.472 3.933 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(C[C@H]2CCCO2)c1C 8119068 HBKHIOFRFORXJP-LJQANCHMSA-N 392.503 3.547 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)s1 6161070 FWOMNUDWVLYYOY-MRXNPFEDSA-N 395.415 3.769 30 40 GHEB C=CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC 409341027 DBYIAERHMZCDBF-UHFFFAOYSA-N 399.834 3.601 30 40 GHEB COc1cc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc(OC)c1OC 1288696 AIWNWGILBNZOKU-ODLFYWEKSA-N 376.482 3.896 30 40 GHEB C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 27914393 XSHOTTQUFNJFDU-UHFFFAOYSA-N 396.306 3.835 30 40 GHEB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1C 1965081 UXZWIYQIQGVDQQ-UHFFFAOYSA-N 378.837 3.776 30 40 GHEB N#CCCN(C(=O)CSc1nnc2sc3ccccc3n12)c1ccccc1 3495739 MGTJXRLGZHLKOS-UHFFFAOYSA-N 393.497 3.983 30 40 GHEB Cc1ccc(/N=C(\O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1 23425527 ZPYOTQQPFUZSCB-UHFFFAOYSA-N 396.388 3.958 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)NC1=S 408903748 YGUSONQBAQFSLV-XDHOZWIPSA-N 393.512 3.524 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(F)F 9153914 CISFQZAKUZPVKJ-HWKANZROSA-N 378.327 3.930 30 40 GHEB Cc1c(C)n(CC(C)C)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 9306681 SIMRKRMKEGOVPE-AUEPDCJTSA-N 376.464 3.903 30 40 GHEB C=CCn1ncc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1C 72396701 RSWGDSNUEBGXPL-HNNXBMFYSA-N 384.509 3.572 30 40 GHEB CCCCCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O 98045194 YXNIOYWSGWGRAT-HXUWFJFHSA-N 386.467 3.806 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@@H]1c1ccco1 5345347 NALIHZWDTFCFOO-OAHLLOKOSA-N 378.413 3.833 30 40 GHEB C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2c(C)cc(C)cc21 100910172 BFYXYLQRTJUYCU-FCQUAONHSA-N 388.448 3.800 30 40 GHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080083 OZAWXFXZWFGFMW-UHFFFAOYSA-N 383.367 3.518 30 40 GHEB COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2C#N)cc1 1382446 NJCIVFICUNVIAY-UHFFFAOYSA-N 392.436 3.652 30 40 GHEB CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc2c(c1)OCO2 849076 YNXBQBZXORFDDR-QGZVFWFLSA-N 394.408 3.514 30 40 GHEB CCCC(=O)C1=C(c2ccc(F)cc2)N(C(=O)CCC)n2c(C)nnc2S1 4518290 SUYNXMOZXAZCGR-UHFFFAOYSA-N 388.468 3.834 30 40 GHEB COC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 2130030 VBNURSGTDBAIQT-NLLJVSSUSA-N 378.380 3.562 30 40 GHEB biogenic CCOC(=O)C1=C(C)N=C(SCC#N)N[C@@H]1c1cccc(Br)c1 107696117 LZVMUSWUBUVOCI-CQSZACIVSA-N 394.294 3.543 30 40 GHEB COC(=O)c1cccc2[nH]cc(C[C@H](C#N)C(=O)Nc3cccc4ncccc34)c12 62001547 CLZHRMKKIMTMPS-CQSZACIVSA-N 398.422 3.824 30 40 GHEB biogenic N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CCCC2)c1=O 14183093 TVVRCHZIHUWPHX-UHFFFAOYSA-N 387.233 3.534 30 40 GHEB CC(=O)C1=C(c2ccc(C3CCCCC3)cc2)N(C(C)=O)n2cnnc2S1 4518310 QGGKIGZOCOWXCP-UHFFFAOYSA-N 382.489 3.874 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1 17137875 ICRMOAWHNBFFLD-HXUWFJFHSA-N 378.472 3.525 30 40 GHEB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C 18118680 PGAIJDYZPFNNRR-UHFFFAOYSA-N 390.468 3.656 30 40 GHEB NC(=O)C(=NOC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 584906352 MNUAQOCHIXMRGD-UHFFFAOYSA-N 385.832 3.510 30 40 GHEB O=C1Oc2ccccc2C(=O)/C1=C\N[C@@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 1547200891 NPNNIPDRPJBDPS-FZTGFJCWSA-N 389.329 3.717 30 40 GHEB C=C(C)Cn1nc(C)c(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1C 12344656 KQUHUELFHGZREE-UHFFFAOYSA-N 398.526 3.843 30 40 GHEB Oc1cccc(/C=N/Nc2nnc(N/N=C/c3cccc(O)c3)c3ccccc23)c1 17418600 GWXOMCKJFPEHFY-RNIAWFEPSA-N 398.426 3.933 30 40 GHEB CCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)c(C)c1 32828762 SVORPZGAWVRYFX-GOSISDBHSA-N 380.473 3.717 30 40 GHEB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355075 ORBPNLNUDTYIAD-BBRMVZONSA-N 397.500 3.665 30 40 GHEB COc1ccc(OC)c(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)c1 3361097 MMTVBCUFLITAEH-UHFFFAOYSA-N 395.440 3.716 30 40 GHEB CCOP(=O)(OCC)O/N=C1\C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc21 4289125 QMLIXMCZFLCWKR-OIRDJALBSA-N 395.801 3.808 30 40 GHEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccccc3)c2c1 8023504 KQVKVRLVKBUPMH-NRFANRHFSA-N 390.439 3.704 30 40 GHEB CC(CNS(=O)(=O)c1ccccc1C#N)(c1ccccc1)c1ccccc1 12810695 JJHHUTSTSUIKLJ-UHFFFAOYSA-N 376.481 3.843 30 40 GHEB C=CCn1c(Cc2csc(NC(=O)c3ccc(F)cc3)n2)n[nH]c1=S 12823856 SLSJKMHWMUPMMQ-UHFFFAOYSA-N 375.454 3.565 30 40 GHEB CC1(C)OB(/C=C(/B2OC(C)(C)C(C)(C)O2)C2(O)CCCCC2)OC1(C)C 195759136 AEMMRANIQHBQBW-CCEZHUSRSA-N 378.127 3.871 30 40 GHEB N=c1[nH]nc(-c2cccc(/N=C/c3cc(Br)ccc3O)c2)s1 408718087 IMVAFZFEVBEEMP-QGMBQPNBSA-N 375.251 3.836 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)c(OC)c1 13596637 GOEHRYBRCFHAFZ-VTEPWDQTSA-N 397.500 3.866 30 40 GHEB CS(=O)(=O)/N=C(\O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 65764027 KYPLAUOFLDIGBK-UHFFFAOYSA-N 388.214 3.645 30 40 GHEB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NC1(C#N)CCCCC1 6549754 JBPOUXZKZZLLHZ-OAHLLOKOSA-N 395.532 3.968 30 40 GHEB CC[C@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 9513889 ZWIDDFIUNBUGQT-JOCHJYFZSA-N 390.531 3.969 30 40 GHEB COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)ccc1O 408862114 FLHXXHVTOSOVEI-PXNMLYILSA-N 390.848 3.954 30 40 GHEB Cc1nnc(S)n1/N=C/c1ccc(COc2ccc(Br)cc2)o1 36611091 XEOVIQVIECOLEO-CAOOACKPSA-N 393.266 3.692 30 40 GHEB CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc1OC 139017428 ZEHADVGSNRINOB-LIJALFLSSA-N 389.502 3.926 30 40 GHEB C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226278979 XMHJEQJYEJQCQB-ZDUSSCGKSA-N 384.398 3.933 30 40 GHEB N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H](c3ccccc3)C3CCC3)C2)nc1 582038492 GOLXKSKSZJYDPD-TZIWHRDSSA-N 376.460 3.657 30 40 GHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccccn1 1531170375 NTMRMNLCEQBLDZ-NHDPSOOVSA-N 385.265 3.734 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](C)C(=O)N2C2CCCCC2)cc1 4538098 PVYPAXOHQROAFD-HVCBDAARSA-N 380.535 3.590 30 40 GHEB C=CCNc1nnc(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)s1 9114753 CVTHNUZCQPMMJC-AWEZNQCLSA-N 392.550 3.708 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1C#N 26985621 HAWLMNHOAIGZHW-ZDUSSCGKSA-N 389.521 3.743 30 40 GHEB COc1ccc(/C=N\Nc2ncc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1OC 36020656 PAGUJAJYOMGUMM-YVNNLAQVSA-N 379.376 3.515 30 40 GHEB N#Cc1nc(-c2ccco2)oc1NC[C@H](c1ccccc1Cl)N1CCOCC1 27792968 OGTFUOJDCUGXGM-QGZVFWFLSA-N 398.850 3.945 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)c1cc(C)n(C)c1C 14071428 ARLATWSZZYXFGN-UHFFFAOYSA-N 391.265 3.937 30 40 GHEB Clc1nc2cc3c(cc2cc1/C=N/Nc1nc2ccccc2[nH]1)OCCO3 5460854 FOCYHBDFISGEFZ-UFFVCSGVSA-N 379.807 3.982 30 40 GHEB CCN/C(=N\c1cccc(F)c1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 5715747 VPJNIMIWYUGVFS-INIZCTEOSA-N 389.427 3.627 30 40 GHEB C=CCn1c(SCc2ncc(Cl)n2C)nc2cc(Cl)ccc2c1=O 15350844 AAVGCDCMOSLJQF-UHFFFAOYSA-N 381.288 3.915 30 40 GHEB CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)=O 409038230 UZPCESSTDBOJND-QPJQQBGISA-N 390.255 3.725 30 40 GHEB O=C(O)c1cccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)c1 409075817 UNHSQOKRVGTBEN-WSDLNYQXSA-N 392.371 3.713 30 40 GHEB C=CCN1CCN(C(=O)CC(C)C)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351912 VDWCDPYDRZZEKA-JOCHJYFZSA-N 391.515 3.563 30 40 GHEB COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1ccccc1 40287513 SRWLXWWFEYUSKW-FQEVSTJZSA-N 385.427 3.691 30 40 GHEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1c[nH]nc1-c1nccs1 583851577 UCKMKIOJNBTNMH-GDBMZVCRSA-N 378.461 3.837 30 40 GHEB COCc1ccc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585294388 QNLHHCVAQGDFRV-GOSISDBHSA-N 395.488 3.652 30 40 GHEB COCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccccc1 5879640 AFEZZAWPSXSXTJ-KLPPEWMLSA-N 398.484 3.954 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(NC(C)=O)ccc21 100703280 HXYWLFLLMJLKQJ-QOCHGBHMSA-N 383.860 3.689 30 40 GHEB C/C(CC(=O)Nc1ccccc1Cl)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4983410 KXUHAGURQZSYPZ-GRSHGNNSSA-N 391.771 3.973 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 59484515 FLZOSLDFLIYARU-ZKKFKWFVSA-N 385.463 3.564 30 40 GHEB COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)N1CCOCC1 5021940 AGNKSVLEGFKXPF-CMDGGOBGSA-N 381.428 3.731 30 40 GHEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 5340714 QJXUPVDQFUVIIO-NDENLUEZSA-N 393.420 3.774 30 40 GHEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ncn[nH]3)c2C#N)C1 8685710 AGLASYWIWYJCCF-SNVBAGLBSA-N 375.523 3.620 30 40 GHEB CCOc1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1 409342346 BMVSCFJYHCOCLA-UHFFFAOYSA-N 375.384 3.643 30 40 GHEB Cc1ccc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C 16150365 JUMWTOVETXXUJF-NRFANRHFSA-N 379.529 3.805 30 40 GHEB N#Cc1nc(-c2cccc(F)c2)oc1NC[C@@H](c1cccs1)N1CCOCC1 96346383 WICJZIJNAFPPOU-KRWDZBQOSA-N 398.463 3.899 30 40 GHEB CN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl 95410085 LGLOECNORPLMRS-UHFFFAOYSA-N 397.283 3.541 30 40 GHEB CC(C)N1CNC(=Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)NC1 19320387 NFVVNWRFEKJCCC-UHFFFAOYSA-N 380.883 3.756 30 40 GHEB Cc1cc(C)c2nc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)sc2c1 2086868823 PTPKSGLKZDCKRD-CALCHBBNSA-N 375.501 3.752 30 40 GHEB COc1ccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)cc1OC 20589579 GRMVIMSCWHFHMH-NDENLUEZSA-N 395.455 3.930 30 40 GHEB C#CCN(Cc1ccc(C)cc1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 48375191 TWXLAOGZUNYYLX-UHFFFAOYSA-N 392.543 3.680 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc4ccccc4c3)C(=O)NC2=S)cc1 16292793 IGEPIVBYEKWFMN-QMFLXTPQSA-N 387.464 3.915 30 40 GHEB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NC1(C#N)CCCCC1 6549751 JBPOUXZKZZLLHZ-HNNXBMFYSA-N 395.532 3.968 30 40 GHEB CCOC(=O)c1sc(N)c(C#N)c1COc1ccc([N+](=O)[O-])cc1Cl 7016437 VDMSQZJGMIEJIE-UHFFFAOYSA-N 381.797 3.519 30 40 GHEB CCc1sc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1C 32827920 URORVKULXDAGGI-UHFFFAOYSA-N 393.516 3.621 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224779982 MCSJLDFCXRNNER-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(F)cc2)no1 17721081 CLAVHHPRNNMEKZ-QGZVFWFLSA-N 382.347 3.806 30 40 GHEB O=S(=O)(N/N=C/c1c(F)cccc1Cl)c1ccc(Br)cc1 2737025 BFQMXGLJMBTZJC-CAOOACKPSA-N 391.649 3.554 30 40 GHEB N#CC1(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CCCC1 5887523 NWCDQWZIQIXLSJ-UHFFFAOYSA-N 393.472 3.572 30 40 GHEB Cc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 6661956 ZTQFEBUPISPDCZ-YJYMSZOUSA-N 391.387 3.503 30 40 GHEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)ccc1O 18197161 ASEABEDBELASOP-OAQYLSRUSA-N 381.428 3.983 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cn2cc(Cl)ccc2n1 23329032 LXCCEYIQPMNVCH-UHFFFAOYSA-N 380.791 3.909 30 40 GHEB N#CCSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 71327537 WITAGKWFAXRAGO-UHFFFAOYSA-N 378.276 3.825 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3cnn(C)c3)n2)cc1OC 78985951 JNZSBICJIQIEPH-PKNBQFBNSA-N 390.443 3.707 30 40 GHEB C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)CC1 95381595 LQHUXJADKHMRIY-UHFFFAOYSA-N 381.524 3.960 30 40 GHEB C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224017252 UBWOFLUDLXHHEY-UHFFFAOYSA-N 385.272 3.710 30 40 GHEB C#CCOC(=O)c1ccc(OC)c(OCc2ccc(Br)cc2)c1 226328754 URIZSKJULOZKLU-UHFFFAOYSA-N 375.218 3.827 30 40 GHEB CCOC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242687281 UDMMOBAGWUVIBG-IPMKNSEASA-N 375.877 3.826 30 40 GHEB COC1=C[C@]23C[C@@H](C[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]2C)OC3=CC1=O 104247469 JXWKCIXVIBYKKR-LEAZRHJPSA-N 386.444 3.608 30 40 GHEB COc1cc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)cc(OC)c1OC 26779563 BSAUIJOXIANMMX-WSDLNYQXSA-N 378.388 3.685 30 40 GHEB C=CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 2119880 IQFQXGCGMTWADD-UKTHLTGXSA-N 391.210 3.901 30 40 GHEB O=C1COc2ccc(C(=O)/C=C/c3cnn(-c4ccc(Cl)cc4)c3)cc2N1 58407606 LAGXTIYUBGSGOU-LREOWRDNSA-N 379.803 3.753 30 40 GHEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)S2)c1 28605547 FMIQVGDMLRIPFD-IDUWFGFVSA-N 397.412 3.832 30 40 GHEB COc1cc(/C=N/N)ccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 26919842 MHRNPBMSTVMZHS-VEMXNMSTSA-N 389.455 3.536 30 40 GHEB COc1cc(CNc2ccc(C#N)cc2)cc(I)c1OC 97032802 WTYDOENDBXVKEI-UHFFFAOYSA-N 394.212 3.792 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 408937019 MAIYFZXIWOAOOO-BOPFTXTBSA-N 396.830 3.880 30 40 GHEB COC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218550374 VFQWTRVRDPSFET-SQNIBIBYSA-N 379.840 3.575 30 40 GHEB COC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218389967 HPMXGTLDTOSKPY-QYZOEREBSA-N 375.877 3.745 30 40 GHEB C=CCOc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 222398124 YEQPOCAQSUUBJZ-UHFFFAOYSA-N 388.489 3.680 30 40 GHEB N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)C2)nc1 582038489 GOLXKSKSZJYDPD-CTNGQTDRSA-N 376.460 3.657 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1nonc1N2 12409602 DIEFAULJNDTFRJ-APPDUMDISA-N 380.429 3.816 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1)c1ccc(F)cc1 18143987 TUDRHROYNOSDQR-HXUWFJFHSA-N 388.398 3.999 30 40 GHEB C=C(C)Cn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccncc1 16807848 ZHWFAENFQGCOMI-UHFFFAOYSA-N 395.488 3.656 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1 102494842 KENINRPHHFNZDP-LFVOPCPISA-N 383.444 3.861 30 40 GHEB CN(CCC#N)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 2625216 ICZYSOJWQKFOGO-UHFFFAOYSA-N 383.521 3.779 30 40 GHEB CN1/C(=C\C(=O)CSc2nnnn2C2CCCC2)C(C)(C)c2ccccc21 12521782 OBWPTGPXSTYDLT-PDGQHHTCSA-N 383.521 3.761 30 40 GHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c3nc4sc(C)c(C)c4c(=O)n3c2)c1 3305569 IRASMQOUHLFHDY-UHFFFAOYSA-N 389.436 3.643 30 40 GHEB N#Cc1cccnc1Oc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2O1 48300160 WUJCLPZVGVDPSK-KRWDZBQOSA-N 386.411 3.871 30 40 GHEB N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12872713 YRJXKQCAFDMEKC-ZTLYHTANSA-N 377.488 3.704 30 40 GHEB C/C(Cl)=C\CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 13479799 LILNKHWEQGJTKV-YIXHJXPBSA-N 393.940 3.876 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 5864481 LMZHXDWNTQZCHE-OAHLLOKOSA-N 394.500 3.644 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(C)cc2)cc1 5800779 PKWBHVGKEAFMGP-LJQANCHMSA-N 385.423 3.876 30 40 GHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 18222033 YGWUEIKJBWTKOE-ZUOKHONESA-N 378.382 3.972 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)c1 96336508 SBOPMOHOEBERNN-HNNXBMFYSA-N 398.465 3.996 30 40 GHEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H](OCC)[C@]12CCCO2 95940082 ATKYQLOGPJYSHH-LMMKCTJWSA-N 399.409 3.727 30 40 GHEB N#CCCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 95953414 TWYMHORRUYUCOR-HNNXBMFYSA-N 383.473 3.776 30 40 GHEB O=C(C[C@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cccc(C(F)(F)F)c1 21132988 PRSHIXLGSALIIA-CQSZACIVSA-N 399.438 3.954 30 40 GHEB COc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1ccccc1C 137782212 BLPHSRJTCFRQSS-OCKHKDLRSA-N 393.237 3.592 30 40 GHEB Cc1nc(C2CC2)nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)c1C#N 12522965 LTTPYGHRMCEDEI-UHFFFAOYSA-N 393.516 3.865 30 40 GHEB CN1/C(=C\C(=O)Cn2cnc3ccc(Cl)cc3c2=O)C(C)(C)c2ccccc21 32736594 NKFSBJWKBXQITB-JAIQZWGSSA-N 393.874 3.931 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1cccc(F)c1 100263406 RFWSWBZJKUEAMF-JOJWKMGHSA-N 375.400 3.555 30 40 GHEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/OCC(=O)N1CCc2ccccc21 3285065 YLNPVRYTNCXEHH-YDZHTSKRSA-N 394.862 3.774 30 40 GHEB C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc1 28290253 YVYQTVYSMNXYIO-HXUWFJFHSA-N 394.496 3.788 30 40 GHEB C=CCOc1ccc(-c2nc3s/c(=C\c4cccc(Cl)c4)c(=O)n3n2)cc1 3649269 ANQASYDJPDNLOJ-ATVHPVEESA-N 395.871 3.584 30 40 GHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(OC)c1 5923955 GTXFOYSTBCPRLO-INIZCTEOSA-N 397.500 3.845 30 40 GHEB CCCCCCCCNC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408723112 ZKDVWWQPWCTPGM-UHFFFAOYSA-N 379.460 3.973 30 40 GHEB N#Cc1c(SCC(N)=O)nc2c(c1-c1ccco1)CC/C2=C/c1ccco1 32625335 CXQILGBWABULGM-XFXZXTDPSA-N 377.425 3.870 30 40 GHEB C=CCn1cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OCC)C2=O)c2ccccc21 980884 IMGUAYOUPCINDP-MFVBVHDHSA-N 384.457 3.815 30 40 GHEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCCCC1 2133426 OGWHLYVANZQMBK-JAIQZWGSSA-N 379.412 3.723 30 40 GHEB biogenic Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc(C)c(C)c2C#N)cc1 10218623 ZNQCVSFOYBQHKO-UHFFFAOYSA-N 376.503 3.738 30 40 GHEB C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2ccc(C(=O)OC)cc2)c1C 6084707 LVXZYXNSVKVCKA-DHZHZOJOSA-N 381.428 3.517 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)N2CCCC2)nc2scc(C3CC3)c2c1=O 7653583 HQWLCHUCIUHZAD-LBPRGKRZSA-N 389.546 3.624 30 40 GHEB C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2ccc(F)cc2F)c1 8306366 OESQWCOHYBLNNR-FOKLQQMPSA-N 391.443 3.536 30 40 GHEB C=CCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 21876942 HQWNTDASVVIEOD-UHFFFAOYSA-N 390.892 3.637 30 40 GHEB N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCCOc1ccccc1 24345766 WBPKJXMUIBNLJH-UHFFFAOYSA-N 390.468 3.959 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCCO3 35289040 NXLUIYLQTARSRO-UHFFFAOYSA-N 395.415 3.748 30 40 GHEB C[C@@H](C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2ccc(F)cc2)ccc1=O 49025887 KDGKKVHHOVBOQI-LBPRGKRZSA-N 396.809 3.774 30 40 GHEB COC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548841 LVVBPJUYLQELHU-RCCFBDPRSA-N 379.840 3.575 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 408752458 ICEMHGKXNCBLEN-OQLLNIDSSA-N 384.373 3.703 30 40 GHEB CCOc1cc(/C=N/Nc2ccccc2)cc(I)c1O 409218227 DOLVBKYCMQKNEW-LICLKQGHSA-N 382.201 3.842 30 40 GHEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409323844 PVUFCZVKGXWHTD-LBPRGKRZSA-N 385.265 3.950 30 40 GHEB CCOc1cc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1O 20060627 BLDANKKFFMISJI-LPYMAVHISA-N 397.456 3.737 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)s1 6444696 AKPYBJDIMPFPKG-INIZCTEOSA-N 395.415 3.769 30 40 GHEB C[C@H](C#N)OC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 5882727 YTPZUHXQBSPEDA-CYBMUJFWSA-N 382.420 3.621 30 40 GHEB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1sccc1C#N 7876685 VJKIOGWAVJXPIL-NSHDSACASA-N 396.501 3.727 30 40 GHEB Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409030665 FALXQICYCDXYOD-PVOVUMCXSA-N 383.061 3.869 30 40 GHEB Cc1c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cccc1C(=O)O 409069514 VWRGBZVHNAEOGZ-REZTVBANSA-N 379.166 3.820 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C(=O)NC1=S 223538388 OLGPBZBKJGUPOY-VMOJBDSFSA-N 397.544 3.611 30 40 GHEB CCCCCCCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 97949721 JBZHCQJARUHLMJ-QFIPXVFZSA-N 392.560 3.952 30 40 GHEB C[C@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 100175135 ZYIBENCKBXFJSL-REOHCLBHSA-N 396.149 3.709 30 40 GHEB in-vitro C#CCOc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)c1 12293155 PCKZTMGXFAHPAH-VXMMSVGHSA-N 377.484 3.722 30 40 GHEB Cc1cccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCC2)c1 2428587 GDJMDNKIUMOLIR-LJQANCHMSA-N 392.484 3.577 30 40 GHEB C=CCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 2432264 KPODRCWXFLSGOQ-UHFFFAOYSA-N 392.484 3.802 30 40 GHEB COc1cccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 102716362 YKVXVLOGAGTHOD-GROYHEBESA-N 396.424 3.679 30 40 GHEB COc1ccccc1CN/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 20762605 NQGSWWBDOFEHDE-LPYMAVHISA-N 381.388 3.899 30 40 GHEB CCN(Cc1ccccc1)c1ccc(/C=N/N2C(=O)N[C@@](C)(CC)C2=O)cc1 3308371 BPBPUBZLDSFCJQ-GQBVICOWSA-N 378.476 3.768 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2F)cc1 9087197 RTKCHLOIFWVOBU-SPLOXXLWSA-N 390.418 3.842 30 40 GHEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 32503442 BOTZEMOULBPEAR-NNGLLJABSA-N 394.562 3.602 30 40 GHEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1 36003624 IUOZUJGIKSTDOH-VXLYETTFSA-N 386.433 3.582 30 40 GHEB O=C1/C(=C/c2ccccc2Cl)Oc2cc(OC(=O)N3CCOCC3)ccc21 5215794 VBDDVEOVAQMSGN-WQRHYEAKSA-N 385.803 3.787 30 40 GHEB COc1cc([C@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)cc(OC)c1OC 15108078 KQTWUMGPCCWJSA-FQEVSTJZSA-N 393.443 3.918 30 40 GHEB O=C(C[C@@H]1S/C(=N/C2CCCC2)NC1=O)Nc1ccccc1C(F)(F)F 21862982 USKBHCRQXWBIGJ-ZDUSSCGKSA-N 385.411 3.564 30 40 GHEB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)c1 22121909 MWXNGHWTHLQLAT-CYBMUJFWSA-N 397.500 3.887 30 40 GHEB CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)N2CCCc3ccccc32)nc1C 23223992 UNUVJSVNBRFQAT-OAHLLOKOSA-N 379.485 3.924 30 40 GHEB COC(=O)c1c(C)[nH]c(C2=NN(C)/C(=N\Cc3ccccc3)S[C@@H]2C)c1C 16976852 SZLUURUWWPCEIM-YYZBOFOMSA-N 384.505 3.746 30 40 GHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Br)cc1 5009220 BQLKKGXOKNZQAB-UHFFFAOYSA-N 386.274 3.775 30 40 GHEB Cc1nc(SCC(=O)NCCc2c[nH]c3ccccc23)c(C#N)c(C)c1C 6822318 ZGSNOSIPSKMJKJ-UHFFFAOYSA-N 378.501 3.811 30 40 GHEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Br 7172124 RWBOJKXQOWMWRM-LLVKDONJSA-N 395.326 3.963 30 40 GHEB N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 7485256 JMFZITUTEIYMPU-KRWDZBQOSA-N 377.469 3.739 30 40 GHEB C=CCN(c1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(C(C)=O)cc1 83843740 MSCCNIGZVIWSBN-UHFFFAOYSA-N 376.503 3.606 30 40 GHEB Cc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1C(C)(C)C 409406626 KNNJJXIHXFLTEY-HZVDNRATSA-N 375.472 3.846 30 40 GHEB Cc1cccnc1CN1CCC[C@H]1c1cccc(N=c2[nH]cc(C#N)s2)n1 585294617 SHXGQWKGUQUFAS-SFHVURJKSA-N 376.489 3.616 30 40 GHEB Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3cccc(C#N)c3)cs2)cc1 5564400 IQZQURHKQZFIDT-UHFFFAOYSA-N 377.425 3.786 30 40 GHEB CCOc1cc(Br)cc(/C=N/c2ccc(NC(N)=S)cc2)c1O 6242458 IMUGLKRYKUVOLG-DJKKODMXSA-N 394.294 3.960 30 40 GHEB O=C1C(Cl)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl 100529116 JIXMIXHCFSEFHF-MFOYZWKCSA-N 385.055 3.864 30 40 GHEB O=C(CNc1cccc(C#Cc2cccs2)c1)Nc1ccc2c(c1)OCO2 12539918 QVYHEVRHVKTZBR-UHFFFAOYSA-N 376.437 3.927 30 40 GHEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 17057611 XYHIMOKLNQQMLK-MHWRWJLKSA-N 399.428 3.763 30 40 GHEB CC(=O)Nc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 4048003 GTTZSPUSAYPFTA-SSDVNMTOSA-N 392.419 3.802 30 40 GHEB CCCOC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 5009242 IZWZNPWRMWJNCR-UHFFFAOYSA-N 393.468 3.580 30 40 GHEB CCOc1ccc(/C(CCC(=O)O)=N/N=c2/sc3ccccc3n2C)cc1 6570187 BMRRAMLZUKJQIL-PWTKHMQCSA-N 383.473 3.808 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N\c1ccccc1 4648580 WXKSIDVMRUQTBO-DPBNUBQISA-N 398.484 3.954 30 40 GHEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(Br)cc3)nc21 4733878 GWNMRRHLFYWKJL-VXLYETTFSA-N 381.237 3.725 30 40 GHEB O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 18209008 CHBOKXXLHVQAKQ-XHADFYDMSA-N 377.391 3.870 30 40 GHEB COc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 408750746 RHAMNHWRGBVNAL-FMQZQXMHSA-N 385.605 3.860 30 40 GHEB Cc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1 409071550 HDRBVIXAWQPZCS-JAIQZWGSSA-N 380.364 3.752 30 40 GHEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2Br)c([N+](=O)[O-])c1 409090731 OBFDQANFUHVVRX-VIZOYTHASA-N 382.126 3.866 30 40 GHEB O=C(NCc1ccc(/C=N/c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1 408782158 ICWJSIRVPDSJNW-WSDLNYQXSA-N 381.819 3.939 30 40 GHEB CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O 409222304 WOZDDFHFMXOTEO-UDWIEESQSA-N 384.439 3.782 30 40 GHEB Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(OCCN3CCOCC3)n2)cc1 36646310 DWCZNUWPIIAGIK-UHFFFAOYSA-N 389.455 3.900 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@@H](C)CC2=O)N1 5433032 WDMDPAHLJCZPAM-ODXCJYRJSA-N 379.485 3.996 30 40 GHEB C=CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 1648770 SCIJDCGJBCNTPX-ATVHPVEESA-N 384.428 3.991 30 40 GHEB C#Cc1cccc(NC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 40050685 QCJKRUXAVBIRQL-UHFFFAOYSA-N 398.528 3.517 30 40 GHEB COc1ccccc1-c1n[nH]c(/N=C(\O)C(=O)c2c(C)[nH]c3ccccc23)n1 52779030 IVMDFCHKZUGMDW-UHFFFAOYSA-N 375.388 3.741 30 40 GHEB CC/N=C1\S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC 1006011 ZRPQOMJWXREVLG-RTPYTOBHSA-N 389.521 3.616 30 40 GHEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cccnc3)c2C#N)C1 10002802 NQCGRTYBWTYAPD-CQSZACIVSA-N 397.500 3.961 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(C(=O)OCC)CC4)[C@H]3C[C@@H]12 12659914 DMLONNLDGVEKRB-WNPAHNIUSA-N 389.536 3.576 30 40 GHEB biogenic N#Cc1ccc(CN(CC(=O)NC2(C#N)CCCCCC2)CC(F)(F)F)cc1 58268057 BAVWFNKYZUZVKU-UHFFFAOYSA-N 392.425 3.655 30 40 GHEB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 12755633 UQSTWRLVZWIXRW-GJZGRUSLSA-N 384.505 3.510 30 40 GHEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 3649264 OVARKBYUDOJGRT-ATVHPVEESA-N 395.871 3.584 30 40 GHEB CCOc1cc(/C=N/Nc2ccccn2)ccc1OCc1ccc(C(=O)OC)o1 6026592 QQBSEHJMENNFIE-YDZHTSKRSA-N 395.415 3.885 30 40 GHEB Cc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 22608736 CDCRZEFVPPZHRS-ORAYPTAESA-N 391.387 3.503 30 40 GHEB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C#N)c1 225781441 PTUIZLHHXWHIFK-UHFFFAOYSA-N 380.444 3.652 30 40 GHEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(OC)c(C)c1 224639602 TTWGRGNKNQVGQB-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 17146261 UIYVZBDIGKEIAK-IWWSQFKYSA-N 388.504 3.992 30 40 GHEB N#Cc1c(N=[N+]([O-])c2cnn(-c3ccccc3)c2C#N)cnn1-c1ccccc1 245238904 CIRQOGLYUUWSKM-UHFFFAOYSA-N 380.371 3.727 30 40 GHEB Cc1ccc(-c2cnn3c(N4CCN(CC#N)CC4)cc(C(C)(C)C)nc23)cc1 20567250 BXAMMVBHJZHIIE-UHFFFAOYSA-N 388.519 3.648 30 40 GHEB COc1ccc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC 20171103 VUTNYSJIEPHQND-XQNSMLJCSA-N 387.911 3.899 30 40 GHEB Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2[nH]c(N3CCCCC3)nc(=O)c21 22607099 KKLLPCKJEWVHAU-MRXNPFEDSA-N 396.516 3.695 30 40 GHEB CCOC(=O)COc1ccc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1 408981742 WOGFENOLGUTQRX-UHFFFAOYSA-N 387.439 3.950 30 40 GHEB Cc1ccc(-c2csc3ncn(/N=C/c4ccc(O)c(O)c4)c(=O)c23)cc1 6438745 TZYDDHCGIRLVRK-LSFURLLWSA-N 377.425 3.727 30 40 GHEB C=CCn1c(SCC(=O)Nc2oc(C)c(C)c2C#N)nnc1-c1ccccc1 8748463 IUYKRGHYHUGYOL-UHFFFAOYSA-N 393.472 3.943 30 40 GHEB COC(=O)c1ccc(F)c(CO/N=C/c2ccc(OC(F)F)c(OC)c2)c1 96004411 XVDBYRFEUCGCPB-LSFURLLWSA-N 383.322 3.773 30 40 GHEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32123943 CUNGKBWAIPDNTC-HIFRSBDPSA-N 392.846 3.652 30 40 GHEB biogenic C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC 409408846 RWAZTNIZSFJFLM-RGEXLXHISA-N 392.455 3.674 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531254 DMHJTKJULUPHLH-NRFANRHFSA-N 398.532 3.658 30 40 GHEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218589232 NDPOGSSNHYPNBQ-ULQDDVLXSA-N 380.252 3.642 30 40 GHEB COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959785 XZITUIVPHNSHQN-BJOHPYRUSA-N 378.354 3.574 30 40 GHEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 6349334 CSBMHKKVSSBDIT-LSHDLFTRSA-N 395.887 3.885 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2c(Cl)ncn2-c2ccccc2)c([N+](=O)[O-])c1 40150492 OLXJRQKZIKFYTC-DJKKODMXSA-N 386.755 3.788 30 40 GHEB CC(C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)N1CCOCC1 21763256 LFQJBJJXRCJYCD-UHFFFAOYSA-N 395.528 3.550 30 40 GHEB C=CCn1c2ccccc2c2nnc(SCC(=O)NCc3cccs3)nc21 1428989 LOJRKYUHUJFVNN-UHFFFAOYSA-N 395.513 3.636 30 40 GHEB O=S(=O)(/N=C(\O)c1ccccc1OCc1cscn1)C1CCCCC1 58078495 BIVMGEOKFGMMNC-UHFFFAOYSA-N 380.491 3.689 30 40 GHEB COc1ccc(CCC2CCN(C(=O)COc3ccccc3C#N)CC2)cc1 12819329 SOIGHAXXDHMFSS-UHFFFAOYSA-N 378.472 3.817 30 40 GHEB CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409353346 JIWCCHZICLQFNS-UHFFFAOYSA-N 378.215 3.690 30 40 GHEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 13730211 ADZQTMJKBZGWRE-RKQRPNFGSA-N 381.403 3.773 30 40 GHEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)[nH]n1 5625925 UXYCBFNZXOHRCO-CIAFOILYSA-N 390.472 3.727 30 40 GHEB O=C(OCC#Cc1ccccc1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 95373432 MMKCDIGKDNYFIX-INIZCTEOSA-N 388.250 3.941 30 40 GHEB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 175487234 CZMXASCMGYURCC-ZDUSSCGKSA-N 383.473 3.752 30 40 GHEB C[C@H](Oc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O)C(=O)O 68736426 NPVAOXSGEDEGJQ-MDKXCRPYSA-N 389.201 3.917 30 40 GHEB C=CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1 23081401 TXTARMFSJHKALD-JOCHJYFZSA-N 380.488 3.827 30 40 GHEB C=CCOc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC 12886604 YTNNELNVBWRGPO-UHFFFAOYSA-N 396.487 3.896 30 40 GHEB CC1CCN(Cc2csc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)n2)CC1 12972250 LAFSAWMNSBNZKS-OAHLLOKOSA-N 384.505 3.653 30 40 GHEB CCOc1cc(/C=C2/CSc3ccccc3C2=O)ccc1OCC(=O)N(C)C 96792538 MERMLCYHJFUUCJ-WJDWOHSUSA-N 397.496 3.924 30 40 GHEB C[C@@H](C#N)Oc1ccc(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 92704436 ZVNWKOOLCBAAEA-SFHVURJKSA-N 397.482 3.720 30 40 GHEB COc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)cc2Cl)cc1 5675996 LRDFHPOZUIONPI-DJKKODMXSA-N 377.235 3.618 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc(O)cc1 18068784 IWVSSCZSYQDNPX-HHIGOXTDSA-N 394.430 3.618 30 40 GHEB Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c1 6277978 HDNQPPZQJBXVHT-UHFFFAOYSA-N 399.516 3.807 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccnc2)cc1 85409692 VDSJFFFNSDHLAH-FQEVSTJZSA-N 394.471 3.783 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4CC(C)=C(C)C[C@@H]4C)c(O)nc3c2c1 9166240 ZPDWUVYSLUJLPN-PLGYBIJDSA-N 380.448 3.808 30 40 GHEB Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2601673 KOLUFMIXTWBPNM-LLVKDONJSA-N 387.465 3.577 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 12347881 JZLDBRJCZNXPDU-LJQANCHMSA-N 387.439 3.739 30 40 GHEB COC(=O)CCn1nc(C)c(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 58310165 LYOAQYLHTIUKNM-FNORWQNLSA-N 391.811 3.521 30 40 GHEB C=CCn1c(SCc2ccc(C(=O)OC)o2)nc2sc(C)c(C)c2c1=O 3470580 RBVLGCCXYRGOTI-UHFFFAOYSA-N 390.486 3.933 30 40 GHEB N#C[C@@H](C(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cn1 48848434 IUWHIZYKWONGNT-GFCCVEGCSA-N 379.304 3.551 30 40 GHEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 409248109 JZKYGGQELCEIPW-UUYOSTAYSA-N 393.270 3.982 30 40 GHEB CCCc1cc(=O)nc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)[nH]1 6016357 GNZRYRYCFHSDFA-LDADJPATSA-N 383.517 3.695 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1OC 4899262 FZBHXGQEAHVSNE-VTEPWDQTSA-N 397.500 3.866 30 40 GHEB N#Cc1cccc(CN2CC[C@@]3(CCCN(CCOc4ccccc4)C3)C2)c1 96216289 MDKIETUKFRKCKZ-XMMPIXPASA-N 375.516 3.925 30 40 GHEB N#Cc1ccc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 5990230 OVXNUWJGIXFUIV-UHFFFAOYSA-N 386.407 3.933 30 40 GHEB CN(C)Cc1c(O)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 20589730 OUWKHKZIVSJMMU-IDUWFGFVSA-N 387.819 3.590 30 40 GHEB CCOc1ccc2nc(SCC(=O)NCc3cccs3)c(C#N)cc2c1 1354866 JNDJYIYKXDMOGF-UHFFFAOYSA-N 383.498 3.975 30 40 GHEB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C#N)cc2)CC1 15641788 FGYQAOZLFOEBQP-UHFFFAOYSA-N 388.393 3.581 30 40 GHEB COc1cc(/C=N/n2cnnc2)cc(Br)c1OCc1ccccc1 5357478 MVPAWHUYGSGNOE-ZVBGSRNCSA-N 387.237 3.510 30 40 GHEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1cccc(O)c1O 5861792 RACDKHBKTJOQNP-NZYSDVMMSA-N 391.399 3.642 30 40 GHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 19535491 WUYOZFWZHDMGKY-HXUWFJFHSA-N 397.471 3.734 30 40 GHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCOc1cccc(Cl)c1 36723067 VXQAGVZZJGQEEI-UHFFFAOYSA-N 388.899 3.537 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 222248758 KNCBQTFWQZHXCK-SHMQDNDESA-N 398.462 3.653 30 40 GHEB COC(=O)c1ccnc([C@@H]2CCCC/C2=N\NC(=S)Nc2ccccc2)c1 675010700 VYHJJYFEOWIBHG-WKRZDEFASA-N 382.489 3.868 30 40 GHEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(Br)c1 5009228 YJIULOSBUQWWEW-UHFFFAOYSA-N 386.274 3.775 30 40 GHEB COC(=O)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 5809755 NNSMQURZKUOLIF-OZNQKUEASA-N 389.451 3.518 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 5838295 MIXUULFVYNDRDI-IPJDOKCGSA-N 377.487 3.562 30 40 GHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)NC2=O)c(C)n1 101648349 CMUXDONAGCQZSA-IOSKLJBCSA-N 385.537 3.974 30 40 GHEB CC(=O)c1ccc(N2CSc3nc(-c4ccccc4)c(C#N)c(=O)n3C2)cc1 13728872 MTLQLHQXPKJACC-UHFFFAOYSA-N 388.452 3.512 30 40 GHEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O 4385964 LQFNPETYTCPTCS-GOSISDBHSA-N 375.472 3.926 30 40 GHEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1cccc(O)c1 408752072 FFSOQHXYOLAIOQ-VGOFMYFVSA-N 375.793 3.845 30 40 GHEB Cc1nc(-c2ccc(CCNC(=O)COc3ccccc3C#N)cc2)cs1 14673403 YEZODALLGPDKSM-UHFFFAOYSA-N 377.469 3.728 30 40 GHEB C[C@@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@]1(C(=O)O)c1ccccc1 4728638 GZBLEGZPSIEDSO-XMKQDHCWSA-N 398.375 3.723 30 40 GHEB COc1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1 6785828 BTOSWOLAVVPITB-UDWIEESQSA-N 376.445 3.515 30 40 GHEB N#Cc1c(CCCNc2ncnc3sc(-c4ccccc4)cc23)n[nH]c1N 9513094 YGIZUYKKYDHQJB-UHFFFAOYSA-N 375.461 3.580 30 40 GHEB Cn1ncc2ccc(-c3noc([C@H]4CCN(c5ccc(C#N)cc5F)C4)n3)cc21 571601457 PFMLRVYJXUENLT-INIZCTEOSA-N 388.406 3.628 30 40 GHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1F 15932378 YWVHZLCVIQIBAA-HXUWFJFHSA-N 378.403 3.834 30 40 GHEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC)C1 19498670 JAUMWZHLPKAULE-XMMPIXPASA-N 391.515 3.612 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3C)ccc21 8958807 TZEZQFPIRUBOLX-UHFFFAOYSA-N 394.471 3.950 30 40 GHEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(C)cc2)=N1 57401506 WWUKHTJIHPNEQC-UHFFFAOYSA-N 394.500 3.917 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)c2ccc(F)cc2)S/C1=N/c1nccs1 100971761 GITRFHPWQHJOKI-SYLQMPFCSA-N 375.450 3.673 30 40 GHEB COc1c2c(cc3c1C(C(=O)c1c(C)[nH]c4ccccc14)=CN(C)CC3)OCO2 49543454 CTLSVVVVEDHCTR-UHFFFAOYSA-N 390.439 3.925 30 40 GHEB biogenic CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(F)cc4)nc3c2[C@@H]1c1ccco1 5345921 ZSMJEMAGLQHBSL-QGZVFWFLSA-N 390.374 3.911 30 40 GHEB CCOC(=O)COc1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 5510201 KRONRGMGSYEKPC-CIAFOILYSA-N 396.472 3.740 30 40 GHEB Cc1c(/N=N/c2cccc(C(F)(F)F)c2)c(O)n(CCCO)c(=O)c1C#N 4714845 OHQZSFSOLMNDEV-GHVJWSGMSA-N 380.326 3.551 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc2c(c1)OCO2 4736409 XJBMIYKSDNBYPH-UHFFFAOYSA-N 394.456 3.591 30 40 GHEB CC(=O)c1cc(C#N)c(SCC(=O)N(C)Cc2ccc(Cl)s2)nc1C 8718604 UKEJYJBHHDJZFK-UHFFFAOYSA-N 393.921 3.930 30 40 GHEB N#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 7265443 KJDXZQVSXONHFL-UHFFFAOYSA-N 381.391 3.607 30 40 GHEB COc1ccc2c(ccn2C/C(O)=N/c2nc(Cc3ccc(F)cc3)n[nH]2)c1 95478561 XJTSELRRBDWQRA-UHFFFAOYSA-N 379.395 3.786 30 40 GHEB Cc1ccc(COc2cccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 409408893 ZTSPBPNDBJBNIK-BLKABHOGSA-N 386.451 3.715 30 40 GHEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(-c3cccc(Cl)c3)cc1)C2 225681631 FEDIFEOMUDBAHC-UHFFFAOYSA-N 389.842 3.765 30 40 GHEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Br)cc1)CCC2 5589151 HMJDNSXRTBCMEP-UHFFFAOYSA-N 388.290 3.935 30 40 GHEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 409084502 PNXUAGYOCPBEIQ-KWZJRMENSA-N 393.917 3.732 30 40 GHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(F)c1 5095477 DTEZKOCMQQTALD-CQSZACIVSA-N 385.464 3.832 30 40 GHEB COc1cc(/C=N/Nc2ncnc3sc4c(c23)CCC4)cc(OC)c1OC 4349507 XSNWNTZNQMDRJJ-LSFURLLWSA-N 384.461 3.652 30 40 GHEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 4427267 OFNGAAZNALFDGZ-SELCWUDQSA-N 399.830 3.627 30 40 GHEB COc1cc(/C=C2\Oc3cc(OC(C)=O)cc(C)c3C2=O)cc(OC)c1OC 6624044 SGKDGCNJIDYBQV-APSNUPSMSA-N 384.384 3.562 30 40 GHEB biogenic C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(CCC)C2=O)cc1OCC 409091641 QZEZPJDXNPDVGJ-UVTDQMKNSA-N 380.897 3.771 30 40 GHEB CC1(C)Cc2c(sc3nc(SCC#N)n(-c4ccccc4)c(=O)c23)CO1 5977513 MHIKZSJZGMJXTL-UHFFFAOYSA-N 383.498 3.914 30 40 GHEB COc1ccc(C)cc1/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408777247 XBWPCYYNRYYOKP-YDZHTSKRSA-N 391.427 3.602 30 40 GHEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)o1 95451323 AGTCNPMPCJMOJO-QZTJIDSGSA-N 378.428 3.704 30 40 GHEB N#Cc1c(/C=C\c2ccc(Cl)cc2)c(C(=O)O)nn(-c2ccc(F)cc2)c1=O 409194637 KUBZKOZQNFABCX-KMKOMSMNSA-N 395.777 3.765 30 40 GHEB N#Cc1c(F)cccc1S[C@@H](C(N)=O)c1ccc(Br)cc1F 582339016 GWBJUPDUVZZENB-CQSZACIVSA-N 383.217 3.918 30 40 GHEB C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 4848498 FZYKDIBQGZDWPI-MRXNPFEDSA-N 384.863 3.574 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@H]3C)nc2cc1OC 4857872 HLKMFXHISAPSDL-CJNGLKHVSA-N 399.516 3.911 30 40 GHEB CCOc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 6946107 PQOAZZNDINPLJW-UHFFFAOYSA-N 377.464 3.679 30 40 GHEB Cn1ncc(/N=C/c2ccccc2C(F)(F)F)c1C(=O)NCc1ccco1 2798053 NTKIHEIMQJQNTE-LSFURLLWSA-N 376.338 3.713 30 40 GHEB Cc1cc(C)n(-c2ccc(/C(N)=N/O[C@H]3CCCc4ccc(F)cc43)cn2)n1 89595671 DEKOEYVBQLPFEB-IBGZPJMESA-N 379.439 3.738 30 40 GHEB N#Cc1ccc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cc1 58162114 RQZBRWNEWWUAHO-XMMPIXPASA-N 383.451 3.768 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)S2)cc1 408762492 BPMNGQLFUJNKHM-WQRHYEAKSA-N 398.440 3.521 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCCc3ccccc32)cc1 5079707 SGHCBJBLWHFFLF-SDNWHVSQSA-N 377.440 3.787 30 40 GHEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1 5155951 OJSOHCPCFRIJPD-FMIVXFBMSA-N 383.391 3.852 30 40 GHEB C=CCn1c(SCc2cc(F)cc3c2OCOC3)nc2ccsc2c1=O 13985692 ZKLJRBBRLNKQMM-UHFFFAOYSA-N 390.461 3.942 30 40 GHEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1cccc(Cl)c1 409405564 HWOSPGULZVECPP-HZVDNRATSA-N 393.874 3.889 30 40 GHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)cc1 224851154 SHOOHCDLIVGTRZ-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834860 RGQHJNIJIMWNCS-UHFFFAOYSA-N 395.864 3.501 30 40 GHEB C=CCN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224368477 AFNCTLHYLYKHMR-UHFFFAOYSA-N 384.501 3.694 30 40 GHEB C#C[C@@](C)(CC)NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 1074415 ZQHDPPQYESUYML-IBGZPJMESA-N 386.377 3.947 30 40 GHEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1 4848998 DYWLEDIMCIXSDA-UHFFFAOYSA-N 377.425 3.874 30 40 GHEB Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3ccc(F)cc3)[nH]2)cc1 20503056 MCCKYGGPJDBUOJ-UHFFFAOYSA-N 383.452 3.568 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)cc1 894599 QHLNIASBGTYIHG-UHFFFAOYSA-N 384.347 3.849 30 40 GHEB N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 23330067 GYQUXEDVNQGFMJ-QGZVFWFLSA-N 397.500 3.947 30 40 GHEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)o1 12406512 KWSBMYAQGDRXQJ-VXLYETTFSA-N 383.320 3.613 30 40 GHEB COc1cccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)c1 54668289 UXHWDCYCADYWHK-HXUWFJFHSA-N 381.451 3.918 30 40 GHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OC)cc2OC)S1 5376437 ZBROEIIVLFJCPQ-WQRHYEAKSA-N 384.457 3.994 30 40 GHEB COc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 5524510 KSDSZUJIWHDRDL-UHFFFAOYSA-N 398.418 3.828 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCCO2 19791880 JVCKISNIDUADMR-FQEVSTJZSA-N 397.471 3.625 30 40 GHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224816397 GVFZHFVCMYFNOY-UHFFFAOYSA-N 391.489 3.872 30 40 GHEB N#CCSc1ccccc1NC(=O)CSc1nccc(C(F)(F)F)n1 26479795 RXPDZZIKNXLMSG-UHFFFAOYSA-N 384.408 3.842 30 40 GHEB CC(=O)C1=C(C)CC[C@@](CC[C@@]2([N+](=O)[O-])CCC(C)=C(C(C)=O)C2)([N+](=O)[O-])C1 1595437 LSYLXJKNHAOQKI-PMACEKPBSA-N 392.452 3.976 30 40 GHEB COc1ccc(OC)c(-c2csc(NC(=O)COc3ccccc3C#N)n2)c1 3402376 RIYLZENJVKUHFJ-UHFFFAOYSA-N 395.440 3.716 30 40 GHEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(=O)OC)cc1 4626404 NNECHDCPOBFQHY-DNVCBOLYSA-N 387.476 3.974 30 40 GHEB COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(Br)cc1 4673218 AYTRZPMGQDFVFS-ZVBGSRNCSA-N 387.237 3.510 30 40 GHEB COc1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4674662 AYPUOHDNDQWENG-XDHOZWIPSA-N 381.348 3.748 30 40 GHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 5923909 BSUHBANPVPNETD-INIZCTEOSA-N 397.500 3.845 30 40 GHEB Cc1cccc(/N=C2\NN=C(c3c[nH]c(C(=O)N4CCCC4)c3)CS2)c1C 9377077 BWUYKIMPRRINCR-UHFFFAOYSA-N 381.505 3.596 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)n(C[C@@H]2CCCO2)c1C 9386301 VYHNSEOHRIBXOP-ZCNNSNEGSA-N 398.551 3.606 30 40 GHEB COc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 20953322 YRDILHZTEFKHSM-NRFANRHFSA-N 393.487 3.788 30 40 GHEB N#Cc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126465 DMLSQRKZBOYLIF-UHFFFAOYSA-N 386.436 3.635 30 40 GHEB N/C(=N\OC(=O)c1ccccc1)c1ccccc1OCc1cnc(Cl)s1 63111027 PLVZAZKLBDXQSX-UHFFFAOYSA-N 387.848 3.853 30 40 GHEB O=[N+]([O-])c1cc(F)ccc1/C=C/C(O)=N/S(=O)(=O)/C=C/c1ccccc1 64099890 FUBIFXSRJGIYJV-RJECPTDASA-N 376.365 3.704 30 40 GHEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100973751 QBARANZGXAPICV-CBFHDUEPSA-N 396.490 3.568 30 40 GHEB Cc1cc(C(F)(F)F)nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1C#N 102051137 IYKBVPHLMADLLV-CYBMUJFWSA-N 391.374 3.705 30 40 GHEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1 408881114 JMILJZFODHJOOF-SXGWCWSVSA-N 385.401 3.509 30 40 GHEB N#Cc1c(NC(=O)COC(=O)Cc2c(F)cccc2Cl)sc2c1CCC2 7107857 RNSJFSKMFTXVHR-UHFFFAOYSA-N 392.839 3.625 30 40 GHEB C=CCc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(OC)c1OC 32841654 JUIYGQRMRPLDNX-UHFFFAOYSA-N 375.852 3.895 30 40 GHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5901208 JJVAZKZNAKOPNC-GHOUAXAESA-N 398.411 3.650 30 40 GHEB biogenic CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1cccc(F)c1 408851766 NTCHYDGBPIVPQB-SRZZPIQSSA-N 386.452 3.874 30 40 GHEB N#CCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409341532 DJWQJDQDYLZTNQ-MHWRWJLKSA-N 397.437 3.903 30 40 GHEB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccc(C#N)cc4)cc3c2C1 32945376 FDNQJXFSOMHVLZ-CQSZACIVSA-N 387.439 3.960 30 40 GHEB CC/N=C1\S/C(=C/c2cc(OCC)c(O)cc2Br)C(=O)N1CC 15013319 GZSFHLWVIMNVMW-QWTILCQQSA-N 399.310 3.866 30 40 GHEB Cc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959984 ZTUIJVZAXLXEKS-BLVKFPJESA-N 391.387 3.503 30 40 GHEB COc1ccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3c2ccccc2)cc1 100711385 MSQNXJQXDDDHNZ-YDWJEQILSA-N 398.422 3.818 30 40 GHEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102497132 RASBXZXAOUISDR-FPUHYBSFSA-N 397.858 3.941 30 40 GHEB CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 18088250 ZUNOVQFYHOWXKI-FOIQADDNSA-N 379.456 3.517 30 40 GHEB C/C(=N/CCCn1ccnc1)c1c(C)nn(-c2nc3ccccc3s2)c1O 18038425 ATDLFVPMYSEXGC-BKUYFWCQSA-N 380.477 3.592 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)COc3ccccc3)c2)c1 13004807 GCOGVCBKBIKPNH-UHFFFAOYSA-N 385.419 3.891 30 40 GHEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1cccc(Cl)c1Cl 9358624 OVRWLQUUWDJLBY-CNHKJKLMSA-N 379.276 3.635 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCC#N)S2)cc1 408950023 DDGXEDOELPRCSM-QGOAFFKASA-N 379.441 3.879 30 40 GHEB CCOCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N/c1ccccc1 408928711 DTYODJPTZODXGZ-PYJMFKHCSA-N 387.417 3.828 30 40 GHEB COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c([N+](=O)[O-])cc1OC 408961924 PKJZHDREMIGSOX-RQZCQDPDSA-N 399.428 3.812 30 40 GHEB Cc1c(/N=C/c2ccc(O)c(I)c2)cccc1C(=O)O 408905441 YOGKHYAUEBKDOR-CAOOACKPSA-N 381.169 3.754 30 40 GHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225001803 GFEKIINNJVFGRJ-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@H](C)C2)n1 260717979 QIXCWSAOZNQKOQ-HNNXBMFYSA-N 383.521 3.978 30 40 GHEB N#Cc1cccc(C(=O)N2CC3(C[C@H](CCOCC4CCCC4)CCO3)C2)c1 575402411 AHJPQODZGOPPOV-GOSISDBHSA-N 382.504 3.776 30 40 GHEB CCOC(=O)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408987742 GLZVBZNNCGBJRO-ATVHPVEESA-N 382.441 3.520 30 40 GHEB C=C(C)CSc1nnc2c3c4c(sc3nc(SC)n12)CN(C)CC4 20057413 FNBSLPYQAOLBNV-UHFFFAOYSA-N 377.564 3.717 30 40 GHEB C=C(C)C(=O)OC[N+]1(CC#CC(O)(c2ccccc2)c2ccccc2)CCCC1 859641 VACPSCTUPFBPCX-UHFFFAOYSA-N 390.503 3.613 30 40 GHEB O=C1/C(=N\Nc2ccccc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 4714119 DMEKDUXCVCATBB-ATJXCDBQSA-N 385.383 3.814 30 40 GHEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1cccc(C)c1 101450466 MPCQKJLHQKSTIU-MLSMKVKPSA-N 397.500 3.984 30 40 GHEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc(O)cc1 6890477 IWVSSCZSYQDNPX-OHHAYCLSSA-N 394.430 3.618 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3F)cc21 8959621 IENIZKDZSBZNJK-UHFFFAOYSA-N 398.434 3.781 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1F 2624035 BHSKGIIYIHHKFG-UHFFFAOYSA-N 393.447 3.873 30 40 GHEB C=CCN/C(S)=C(/C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 21842010 PARULRWCWGFSCS-UHFFFAOYSA-O 398.508 3.894 30 40 GHEB C=CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1ccccc12 106549904 LKCSKLCMJDXWFZ-LQWHRVPQSA-N 398.459 3.716 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC 2213912 QQADOYNVPOKVTD-UHFFFAOYSA-N 397.438 3.537 30 40 GHEB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 4993029 MXNFUPKISJYZEI-LJQANCHMSA-N 375.424 3.827 30 40 GHEB CCOC(=O)N1N=C(C(F)(F)C(F)(F)C(F)(F)F)C[C@@]1(O)C(C)(C)C 408923359 PKNPHHQDCSTWNK-SNVBAGLBSA-N 382.276 3.772 30 40 GHEB CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1cccc(C(F)(F)F)c1 553525156 UUGQOQNMWIUNMS-INIZCTEOSA-N 393.369 3.782 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1O 408599660 IYIGIGSGOMICFF-HNNXBMFYSA-N 394.500 3.806 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1Br 5629886 ZNCDSGGFZZJTMR-UHFFFAOYSA-N 375.222 3.655 30 40 GHEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CCCC2 14526138 QFXHYJUQENNFJG-QGZVFWFLSA-N 388.515 3.926 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102641868 VMZFGBJOFWJYEB-FCQICNGXSA-N 383.469 3.657 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 3364121 BRLQPMCYTLZCFE-INIZCTEOSA-N 378.548 3.810 30 40 GHEB COc1ccc(OC)c(COC(=O)c2cc(C3CC3)nc(SC)c2C#N)c1 26985384 KCNKCHQXZGDFCU-UHFFFAOYSA-N 384.457 3.927 30 40 GHEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC 48492619 CNOTTWJDQLFNDX-VXGBXAGGSA-N 395.399 3.718 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(O)c1 13482357 ACTWUIQIPUOVDZ-CCMJGWDWSA-N 378.428 3.623 30 40 GHEB O=C1/C(=C/c2ccncc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 5370534 YOZNQAPVJOCPOC-ODLFYWEKSA-N 397.383 3.605 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 6610176 PFJSPQVFXLKDOM-QFIPXVFZSA-N 391.427 3.706 30 40 GHEB CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 5883997 VSDFCRCDNPMYNC-INIZCTEOSA-N 392.484 3.708 30 40 GHEB COc1cc(C#N)cc(I)c1OCc1ccc(F)cc1 408536938 BPSYXVOQAMYNGO-UHFFFAOYSA-N 383.160 3.890 30 40 GHEB O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1 408850637 PYGJTIJLYYXOFW-YVLHZVERSA-N 380.198 3.538 30 40 GHEB CCOC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463758 DJLNZCHPUUSVRH-IPMKNSEASA-N 393.867 3.965 30 40 GHEB N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc(Cl)c(Cl)c1 17215370 UTKNKVOJGQJRON-LJGKHRNASA-N 397.649 3.692 30 40 GHEB COCCNc1nc(Nc2ccc(OC)cc2)c(C#N)c2c1COC(C)(C)C2 20590882 XTTIKHWEBJHZSM-UHFFFAOYSA-N 382.464 3.615 30 40 GHEB COC(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 101435483 CQZVSVNVYLFNFD-NJNXFGOHSA-N 398.422 3.692 30 40 GHEB Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1O 2640997 OIOHCCXOWCVXAN-NSHDSACASA-N 384.457 3.554 30 40 GHEB C=CCN(c1ccccc1)S(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F 24969164 BZAGBNDRMJFGCB-UHFFFAOYSA-N 375.343 3.633 30 40 GHEB COc1ccc([C@H](CNc2oc(-c3ccccc3)nc2C#N)N(C)C)cc1OC 27990768 AYUCGTXBMLAADC-SFHVURJKSA-N 392.459 3.945 30 40 GHEB C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2ccccc2C)nc1C 12824460 BKEKXAJZEIHSFW-UHFFFAOYSA-N 385.518 3.674 30 40 GHEB C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccoc1C 6911052 YPLZEFBMVWUFRJ-UHFFFAOYSA-N 393.472 3.641 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7763732 QAHCELFKRLRWGJ-KZULUSFZSA-N 389.550 3.877 30 40 GHEB COc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)c(OC)c1 408751804 BXOUAPJTPRQYAM-RQZCQDPDSA-N 399.428 3.812 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)cc1OC 13350661 LNKYDQJUSKRPQS-VMPITWQZSA-N 398.411 3.628 30 40 GHEB C[C@@H]1/C(=N/Nc2ccc([N+](=O)[O-])cc2)C[C@H]2[C@@]3(C)CC[C@@]2([C@@H](C)C(=O)O)C(=O)[C@@H]13 104200103 AWVZNWWDGGUAQE-LPKXRIQASA-N 399.447 3.725 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 102874782 FFCPCFKPSRLYRE-DPEHCCBOSA-N 396.226 3.655 30 40 GHEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)NC 2618606 CMPUCCJNKDFPNQ-UHFFFAOYSA-N 394.500 3.548 30 40 GHEB Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1sc3c(c1C#N)CCCC3)C(=O)N2 938442 XGKCYKHLZGGNBW-KRWDZBQOSA-N 394.500 3.877 30 40 GHEB N#C[C@@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1 47365260 IGJZXFDZRYVVAF-INIZCTEOSA-N 375.453 3.909 30 40 GHEB COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC 12814491 YRCWBXAHSVKPCP-BQYQJAHWSA-N 384.457 3.786 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc(C)c(C)c2c1=O 3542350 QMTLFUWTGQTECR-LBPRGKRZSA-N 379.551 3.514 30 40 GHEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 6108059 LHJFBXIJUYMAJE-UHFFFAOYSA-N 379.460 3.965 30 40 GHEB NS(=O)(=O)c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 4520428 VDCPZBJGZSMDPI-RGVLZGJSSA-N 375.837 3.693 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1O 409230853 GLTDIXDNYABXBT-LDADJPATSA-N 378.428 3.612 30 40 GHEB Cc1sc(NC(=O)CN(Cc2ccccc2)C2CCN(C)CC2)c(C#N)c1C 89558744 JSVZSBFXKNMWIP-UHFFFAOYSA-N 396.560 3.772 30 40 GHEB C=CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 44848339 KTJAHQUTRFSMST-UHFFFAOYSA-N 380.853 3.529 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 17180658 FKQGQFISLVSVGU-FQEVSTJZSA-N 395.455 3.618 30 40 GHEB CC(=O)Oc1ccc(N=C2C=C(Br)C(=O)C(Br)=C2)cc1 4916800 CANSAWQFKJWHDV-UHFFFAOYSA-N 399.038 3.825 30 40 GHEB COc1cccc(C(=O)O/N=C2\CCc3c(Br)ccc(OC)c32)c1 6762169 HYHOAUJWTJAUOD-HMMYKYKNSA-N 390.233 3.974 30 40 GHEB C/N=c1\scc(-c2ccco2)n1/N=C/c1cc(Br)ccc1O 12657206 QATNPFZAUQFXRM-MDCRQLBCSA-N 378.251 3.690 30 40 GHEB CCSc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc23)s1 3527896 JCJBZFFYNCFIQL-UHFFFAOYSA-N 376.488 3.999 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1 8914214 JCJDMELQQQTGDN-INIZCTEOSA-N 395.415 3.769 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 4906034 IDIBWDHVFPMJQN-UHFFFAOYSA-N 376.338 3.812 30 40 GHEB COC(=O)CSc1nc(C(F)(F)F)c(C(=O)c2cccs2)cc1C#N 9420437 PPUUPZIDSZHWSI-UHFFFAOYSA-N 386.376 3.530 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)C)cc2)cc1OC 5408174 STCDDMRRIPPWGY-LJQANCHMSA-N 381.428 3.693 30 40 GHEB COC(=O)[C@H](Cc1ccccc1)N/C=C\C(=O)c1ccc(Br)cc1 16189638 OHFIPDFPPPOMLQ-CPFIRTDXSA-N 388.261 3.519 30 40 GHEB O=C1N[C@H](c2ccc(Cl)cc2)/C(=C(\O)c2ccc(Br)cc2)C1=O 102574192 HGQMQKBNSWUVPH-SXWSKBOKSA-N 392.636 3.812 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 102931283 IBOLRUMRWXPPKV-SELCWUDQSA-N 395.436 3.972 30 40 GHEB N#Cc1ccc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 3257260 QIJVNGQLQHYXBF-LJQANCHMSA-N 390.464 3.704 30 40 GHEB C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(-c2ccccc2)c[nH]1 58159490 BIPZBXLCYNCZAA-LBPRGKRZSA-N 386.864 3.641 30 40 GHEB CCCCCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2399101 BQYUOBPNTUZXKU-UHFFFAOYSA-N 397.523 3.903 30 40 GHEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ncn(-c2ccc(C#N)cc2)n1 89562774 PNZHPIXKHYUMKX-UHFFFAOYSA-N 386.440 3.823 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784601 ABEIXEZDCYWEIS-UHFFFAOYSA-N 391.405 3.501 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224763092 WCHIACKWWLUXIX-UHFFFAOYSA-N 397.796 3.538 30 40 GHEB CCN(CC)CCN(/C(=N/c1ccccc1)N1CCOCC1)c1ccccc1 5499375 WYQMAWCVLYTLKL-WCWDXBQESA-N 380.536 3.855 30 40 GHEB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1OS(=O)(=O)O[C@@H]12 2244178 JVVUTCZABCFENT-MILMJNAHSA-N 378.490 3.580 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)o2)c1 2646514 BCPMPATUWPIBDL-UHFFFAOYSA-N 393.472 3.787 30 40 GHEB CCOc1cc(/C=N/Nc2ccccc2C(=O)O)cc(Br)c1O 11903719 RLVOSFCRMSIPSR-GIJQJNRQSA-N 379.210 3.698 30 40 GHEB COCCCCN1C(=O)[C@@H](Oc2cc(C)cc(C)c2)[C@@H]1c1ccc(C#N)cc1 58085104 QFPNHNQVGJWZAO-VXKWHMMOSA-N 378.472 3.933 30 40 GHEB C[C@H](C#N)Sc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 3447684 FKPZQBBDPUCXLY-SNVBAGLBSA-N 390.262 3.804 30 40 GHEB CCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3cccc(C)c3C)S2)cc1 5126871 FGXUDJVMZZWHOK-GOSISDBHSA-N 397.500 3.950 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)n1 6607501 YWIITQMNLCGRTB-INIZCTEOSA-N 391.452 3.910 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)s1 17080463 WWNIBBAHKUWHRD-OVCLIPMQSA-N 393.715 3.867 30 40 GHEB CSc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(CC(C)(C)CC1=O)N2 18222446 GOFLYOAHXMQRBF-HNNXBMFYSA-N 376.432 3.936 30 40 GHEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 95444062 ANDVLOWXDMQWCQ-AWEZNQCLSA-N 390.468 3.941 30 40 GHEB COc1ccc(CN/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 20195878 LFHJOYWJTFTLRX-YDZHTSKRSA-N 380.400 3.786 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCCCCCC 408708470 IHUZVYASVVNVMD-UHFFFAOYSA-N 387.524 3.798 30 40 GHEB COc1cc(CNCCc2ccccc2)cc(Br)c1OCC#N 36612317 YZVJZTKDCFBWJM-UHFFFAOYSA-N 375.266 3.692 30 40 GHEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3ccoc3)[C@H]2c2ccco2)s1 32609562 RWGFJJYOPCBMKQ-CYBMUJFWSA-N 385.401 3.630 30 40 GHEB N#CC1(c2ccccc2)CCN(C(=O)c2ccc(O[C@H]3CCSC3)nc2)CC1 225717106 MRTJXGFSITZZKL-IBGZPJMESA-N 393.512 3.663 30 40 GHEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023874 QXRNLZLKNPRJAB-UHFFFAOYSA-N 386.351 3.995 30 40 GHEB CCOc1cc(/C=N/Nc2ccc(Br)cc2)cc([N+](=O)[O-])c1O 15008836 WBNDAVXKGVEFGY-RQZCQDPDSA-N 380.198 3.908 30 40 GHEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8267839 IEVMLIZXPPQYAH-LJTKESRTSA-N 390.779 3.989 30 40 GHEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)n2ncc(C#N)c2N1 101475413 NVWINEBHAZTZIR-FQEVSTJZSA-N 385.427 3.696 30 40 GHEB COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@@H]1c1cccs1 101487051 JMVABKCSCZDQBP-GOSISDBHSA-N 391.456 3.752 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)NCc2ccco2)nnc1-c1ccccc1OC 6147837 DMFLDRACBINLQN-AWEZNQCLSA-N 398.488 3.530 30 40 GHEB Cc1ccc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(C)c1 32821140 QTFMVOMUQRPWRV-HXUWFJFHSA-N 379.529 3.805 30 40 GHEB N#C[C@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1cccc(Cl)c1 2365164 ITBOVSZBQYWSAI-CQSZACIVSA-N 378.240 3.975 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 3274853 JMLDQNCDFNTWHY-UHFFFAOYSA-N 375.866 3.789 30 40 GHEB COc1ccc(C(=O)N2CCCS/C2=N\CCc2ccccc2)cc1[N+](=O)[O-] 3406453 RKEXOYXVKZFSAN-MRCUWXFGSA-N 399.472 3.781 30 40 GHEB O=C(CCNC(=O)c1cccs1)Nc1cccc(C#Cc2cccs2)c1 12999278 KOSIMVVIPZKNDW-UHFFFAOYSA-N 380.494 3.968 30 40 GHEB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1C 8321377 LFPMIODOSZHIBK-CMDGGOBGSA-N 387.432 3.730 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(F)c2F)cc1 6820294 PZTLRDVVLAAMAS-BBRMVZONSA-N 383.394 3.978 30 40 GHEB N#Cc1c(Cc2ccccc2F)nn(Cc2ccc(Br)cc2)c1N 225843432 ALDWZQBOPLUHHZ-UHFFFAOYSA-N 385.240 3.878 30 40 GHEB C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cc1 225944506 HZFLXMQQUSROJE-UHFFFAOYSA-N 381.428 3.667 30 40 GHEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1C[C@@H](C)C[C@H](C)C1 3169587 LSEPNAQHTGVCDR-XVCXAGHRSA-N 382.302 3.716 30 40 GHEB C#CCOc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 19453637 FGDHMLNGLCVATA-UHFFFAOYSA-N 390.531 3.771 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19498931 VQPVWJVQXHPGRY-FQEVSTJZSA-N 394.490 3.918 30 40 GHEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc3c(c1)NC(=O)CO3)O[C@@H](C)C2 5335890 WYWOYHWDBRIYGH-BPJJOFIESA-N 379.412 3.636 30 40 GHEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)c1 102804535 LFTKMTBXPRVOMS-YDJIHCHBSA-N 386.407 3.717 30 40 GHEB COc1ccccc1[C@@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1c1cc(C)on1 102804577 PVTBBGZAVSFNIN-GROYHEBESA-N 396.424 3.679 30 40 GHEB CC(=O)c1ccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)cc1 12322691 NZFLTGYMOZIXTH-UHFFFAOYSA-N 377.444 3.785 30 40 GHEB C=CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1ccccc12 106549901 LKCSKLCMJDXWFZ-WFXMLNOXSA-N 398.459 3.716 30 40 GHEB C=CCOc1ccc(CN(C)C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 22877162 SRXQUPAGGDHQAJ-UHFFFAOYSA-N 393.487 3.720 30 40 GHEB CC[C@@]1(C)NC(=O)N(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 6603587 FNMULTPXTBQOIO-ZZAWEDPDSA-N 387.443 3.594 30 40 GHEB C[C@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 6767360 HKABJBZNZXDQNG-MRXNPFEDSA-N 398.466 3.860 30 40 GHEB C=CCc1cccc2cc(C(=O)Nc3ccc(C(=O)OCC)cc3)c(=O)oc12 8766934 TVWGJIYYFKQPAS-UHFFFAOYSA-N 377.396 3.951 30 40 GHEB CC(C)N1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccccc1 408906665 CZFKNZWOILGOCD-HPJGCCTDSA-N 395.484 3.563 30 40 GHEB COc1ccc2nc(NCCCNC(=O)c3c(F)cccc3F)c(C#N)cc2c1 35313923 ZYFHLCJELGTQEW-UHFFFAOYSA-N 396.397 3.625 30 40 GHEB CN(C)c1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cc1 585292993 BNBRRRPLNNICEN-JOCHJYFZSA-N 399.502 3.890 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)ccc1OC(C)C 12743764 FXBPNSLDGIVGLF-WUXMJOGZSA-N 397.471 3.846 30 40 GHEB COc1cc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc(OC)c1OC 16666470 AWSCCZUMPONVFU-GZTJUZNOSA-N 384.457 3.912 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C#N)C1 4275206 SPPIXYCAZSCYCI-UHFFFAOYSA-N 379.485 3.655 30 40 GHEB CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)C[C@@H](C)C#N 40158309 DNMIXBAOKYPPHQ-PXNSSMCTSA-N 378.476 3.747 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)o1 102498278 RHKYOWIGMPVGBO-IBOXJLQUSA-N 395.802 3.658 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 42399014 DGEPMMSRKBFIMS-OAHLLOKOSA-N 395.956 3.844 30 40 GHEB O=C(/C=N/OCc1csc(Br)c1)Nc1ccc(F)cc1F 55047598 YPIIUNUJHHVZOY-YAXRCOADSA-N 375.194 3.930 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 408758001 FNMJGPXNLDWUOC-AIRTYWKNSA-N 379.485 3.885 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408872159 ADUDJYMDWGBZNA-SRZZPIQSSA-N 386.452 3.738 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3cccc(Cl)c3)c3n2CCC3)cc1 17252065 NHSIVJJRDIDYAA-UHFFFAOYSA-O 382.871 3.690 30 40 GHEB Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccs2)n(C[C@H]2CCCO2)c1C 14124025 QFYBYPHVXBRGTB-GOEBONIOSA-N 386.521 3.506 30 40 GHEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1cc([N+](=O)[O-])ccc1O 408973913 CPJOFPVHYSVASG-VXLYETTFSA-N 381.348 3.762 30 40 GHEB COc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C(C)=O)cc2C#N)cc(OC)c1 7783532 IHCXYZJNBMRZRO-CYBMUJFWSA-N 399.472 3.601 30 40 GHEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(Cl)cc1 408815855 VICCCNCNUQGXCS-DNTJNYDQSA-N 384.288 3.748 30 40 GHEB N#Cc1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCCCC2 34866171 PUPVKEASCGYDPO-UHFFFAOYSA-N 394.544 3.649 30 40 GHEB COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc(Br)c1OC 32664128 XTCCLVBOLMMZLF-NVMNQCDNSA-N 375.226 3.789 30 40 GHEB COC(=O)c1cccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)c1 33707010 SUTZWRXXJREWEB-JJFYIABZSA-N 393.403 3.630 30 40 GHEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224960363 PZEOURHHNITFHO-UHFFFAOYSA-N 376.865 3.796 30 40 GHEB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ncccc3C)CC2)n1 585294444 FPHLCPJIVZRJDR-UHFFFAOYSA-N 399.502 3.878 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 14091491 PVHJOXUYXWFWTK-UHFFFAOYSA-N 382.464 3.925 30 40 GHEB CCC1(CC)CC[C@H](C(=O)OC)/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17105809 QCBDMLPVBNZKRR-IBPDABBASA-N 378.385 3.660 30 40 GHEB COc1cc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc(Br)c1O 31854445 ZWOMTKHYLFKNFI-SOFYXZRVSA-N 384.255 3.577 30 40 GHEB COc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 30585724 GBXNSVCREHKUOY-UHFFFAOYSA-N 392.415 3.670 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 4892868 ASUUYXFAZQGOMM-ZKKFKWFVSA-N 397.405 3.575 30 40 GHEB C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1cccc(C)c1 6187998 XUXJJYKEKAYDTB-UHFFFAOYSA-N 389.484 3.968 30 40 GHEB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(C#N)cc1 8429695 USWJSZAESBWGMF-LJQANCHMSA-N 377.469 3.831 30 40 GHEB CCOC(=O)c1cc(C#N)c(SCCC(=O)N2CCc3ccccc32)nc1C 32871157 RQOVSXDYBNGDGE-UHFFFAOYSA-N 395.484 3.510 30 40 GHEB COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 3584162 RDZFNBPBHQFOEW-UHFFFAOYSA-N 383.517 3.968 30 40 GHEB C#CCOc1c(C=C2C(=O)c3ccccc3C2=O)cc(Br)cc1OC 408811789 MVNYYHMDNROEHQ-UHFFFAOYSA-N 397.224 3.932 30 40 GHEB N#Cc1ncoc1N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 26770279 TZFLZYDOISAXBP-FOKLQQMPSA-N 399.370 3.753 30 40 GHEB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12 15989405 RGXNFWVSZRVNRW-UKDJSQQHSA-N 399.494 3.665 30 40 GHEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220566519 KKWGCJCTKMBMIX-FQEVSTJZSA-N 399.516 3.553 30 40 GHEB COC(=O)COc1ccc(/C=N/Nc2cc(Cl)ccc2Cl)cc1OC 13914750 GMOHVHJKPPEVBH-AWQFTUOYSA-N 383.231 4.000 30 40 GHEB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 726484 RPHPTPVFMSKOSY-FQEVSTJZSA-N 399.487 3.871 30 40 GHEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 915051 UOFFBFGRHNHYBT-NRFANRHFSA-N 390.443 3.744 30 40 GHEB CC(C)N1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 2272190 HMAGRFYYXYDZQF-UHFFFAOYSA-N 384.530 3.513 30 40 GHEB COc1cc(/C=N/Nc2cc(C)c3ccccc3n2)cc(OC)c1OC(C)=O 5370428 BVJOOIUMFXWISK-WSDLNYQXSA-N 379.416 3.932 30 40 GHEB Cc1cc(C)c(C#N)c(SC[C@@H](O)COc2ccc(Br)cc2)n1 8389791 BTFQDFVNWUAUEX-AWEZNQCLSA-N 393.306 3.865 30 40 GHEB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(C#N)cc1 9328175 ADVHBSLWJGFEOK-UHFFFAOYSA-N 392.484 3.744 30 40 GHEB Cc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3nc(N)nn32)s1 18200635 QJPGUYLPQBGZTH-QFYYESIMSA-N 383.502 3.707 30 40 GHEB C[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(Cl)cc1)N(C)C 24834699 AHQVSZIZACDOOW-LBPRGKRZSA-N 384.896 3.961 30 40 GHEB O=C(CCCCCCC(=O)Nc1ccccc1C(=O)NO)Nc1ccccc1 28135855 WRXIPQCKJYKVSR-UHFFFAOYSA-N 383.448 3.723 30 40 GHEB CCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32765201 QVJYLHHQZWBOER-INIZCTEOSA-N 386.864 3.754 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(OCC)c21 100909655 WKAFTHKMVJFUOR-ZCXUNETKSA-N 389.458 3.998 30 40 GHEB COc1ccc([C@H]2O[C@]34CCCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102716712 JERHUPHLSFJQFB-JYWFKMLOSA-N 376.416 3.594 30 40 GHEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224827458 MAQUOLKAGJQYJE-UHFFFAOYSA-N 399.390 3.858 30 40 GHEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 408818383 NZJAAIZDAFEHNZ-WQLSENKSSA-N 384.251 3.689 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1C#N 100616333 FRCDGJNESATUON-FJAKRLOMSA-N 381.391 3.534 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C(C(=N/O)/c2ccccc2)\c2ccccc2)cc1 104110530 QESFTDWENQWUBL-DQPVQCHKSA-N 393.468 3.556 30 40 GHEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCc2ccccc2)cc1 28290256 YVYQTVYSMNXYIO-FQEVSTJZSA-N 394.496 3.788 30 40 GHEB C[C@H](C#N)CSc1ccccc1NC(=O)Nc1cccc(-c2nnnn2C)c1 65453535 QZRNIXVSOTXRHK-CYBMUJFWSA-N 393.476 3.773 30 40 GHEB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCSCc1ccccc1C#N 14240329 BLYSRXSXANQKPH-UHFFFAOYSA-N 393.516 3.856 30 40 GHEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2cccc(O)c2)C1=O 4688344 TYUXEDOZBNGPBT-ATVHPVEESA-N 397.452 3.944 30 40 GHEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2nc1N 18240957 GDHMVIOSSXUKHL-UHFFFAOYSA-N 378.244 3.891 30 40 GHEB Cc1ccc(Cn2c(C#N)cc(N)c2N2CCN(Cc3ccccc3)CC2)cc1 225872117 ILILNMSJSOMRPA-UHFFFAOYSA-N 385.515 3.621 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 225810991 WHTUIDPAVRRGJZ-UHFFFAOYSA-N 378.350 3.639 30 40 GHEB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 528966008 UJAYZJKLLPRQOL-ZHRRBRCNSA-N 395.434 3.965 30 40 GHEB CSc1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 5054664 QQYWKURLGIEHEL-XAMWDVODSA-N 378.457 3.917 30 40 GHEB CCOC(=O)NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N 5736850 LCZJOZJGMYKPGQ-UHFFFAOYSA-N 399.350 3.597 30 40 GHEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(C#N)c1C 12913627 ZORXBWPTTCPNFF-UHFFFAOYSA-N 388.392 3.782 30 40 GHEB O=C(/N=C1\SCC(=O)N1c1ccc(Br)cc1)c1ccccc1 5601137 IXADWHSTXXADQM-VLGSPTGOSA-N 375.247 3.725 30 40 GHEB N#Cc1c(O)nc(SCC(=O)Nc2ccc(F)c(F)c2)nc1-c1ccccc1 1438798 KTPFFRRXPOMWNR-UHFFFAOYSA-N 398.394 3.730 30 40 GHEB C=CCn1c(SCC(=O)NC2CCCCC2)nc2c([nH]c3ccccc32)c1=O 16890300 YWLFQNCADKBQAM-UHFFFAOYSA-N 396.516 3.605 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(OC)c1 6450939 GZCRDOHHOIRJJK-UHFFFAOYSA-N 394.500 3.794 30 40 GHEB CCCCCCCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 101461704 NQGMKJAYFBICKI-UHFFFAOYSA-N 375.517 3.528 30 40 GHEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)C1(c2ccc(F)cc2)CCC1 48450944 UEAOQVUFJZYLQT-UHFFFAOYSA-N 392.408 3.809 30 40 GHEB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)N(C)C1(C#N)CCCCC1 13009935 FNQJKWQZLKZCMR-FLVLSHQESA-N 391.471 3.865 30 40 GHEB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 5238231 WPDJBTJEURUWIN-UHFFFAOYSA-N 390.468 3.656 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1 6444660 AKPYBJDIMPFPKG-MRXNPFEDSA-N 395.415 3.769 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)nc1 8971181 JYTOISRNPPRCTH-AWQFTUOYSA-N 380.320 3.531 30 40 GHEB C=CCN[C@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl 19315489 ABDJKLOONLLOSD-LLVKDONJSA-N 386.504 3.651 30 40 GHEB CCOc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409296372 HMJGZANJYTXFKA-UHFFFAOYSA-N 386.249 3.748 30 40 GHEB CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732420 RFFOAMWOLDQIHK-INIZCTEOSA-N 391.836 3.890 30 40 GHEB C/N=C1/S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1C 408929158 HTGLNZCVFYWQEN-QSAFIDALSA-N 383.429 3.706 30 40 GHEB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)c1 19928352 MNVQLSKGKFECGT-UHFFFAOYSA-N 394.456 3.868 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cccc(OC)c2OC)C1=O 7332288 JYMWPAKFNLQSFH-LGMDPLHJSA-N 395.411 3.531 30 40 GHEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 9012433 HJJBJAIOOMSONK-IBGZPJMESA-N 381.428 3.779 30 40 GHEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3ccccc3)cc1)[C@H]1C=C[C@H]2CC1 100175858 YPNVUYNTXIEDTP-DGRMGLCBSA-N 386.451 3.797 30 40 GHEB COC(=O)c1sc(NC(=O)c2ccccc2Br)c(C#N)c1C 2740617 UMEWZAYQWFIMOP-UHFFFAOYSA-N 379.235 3.730 30 40 GHEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC 409035664 PWDHNTSCLVMVGI-LGMDPLHJSA-N 380.469 3.864 30 40 GHEB N#Cc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 48745163 NFJHZKMMOKAOBY-UHFFFAOYSA-N 375.394 3.703 30 40 GHEB N#Cc1ccccc1COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 18268742 RISOBDQGTQJUAT-UHFFFAOYSA-N 382.375 3.716 30 40 GHEB CN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)C1(C#N)CCC1 66321624 OSEJSPVMEZKWPO-UHFFFAOYSA-N 378.457 3.887 30 40 GHEB C#CCOc1ccc(Cl)cc1/C=N\OCC(=O)Nc1ccc(Cl)cc1 409370023 JNCAKNVOJFVRFD-NHDPSOOVSA-N 377.227 3.995 30 40 GHEB CCN(CC)c1ccc(N/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 6569943 WGNVRQUZHJDGTK-GYHWCHFESA-N 391.427 3.948 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc3c(cc21)OCO3 101035427 TZHWZRFLWNLUPH-MRCUWXFGSA-N 380.425 3.561 30 40 GHEB CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCN(C(C)C)C3)cc1 40150664 BWMYBTGEGRZEFI-UHFFFAOYSA-N 397.500 3.606 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 102497323 FXOWEBIYZDYCTR-LFVOPCPISA-N 398.890 3.632 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 102494854 KENINRPHHFNZDP-WOOAAIBNSA-N 383.444 3.861 30 40 GHEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)/C1=C(\O)c1ccccc1 102533708 ZFPJXLLEDDWICV-WOOAAIBNSA-N 375.380 3.607 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 102860963 DIXXKJCPRYCHKN-GHNGSUTGSA-N 385.485 3.940 30 40 GHEB COC(=O)c1ccc([C@@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 804020 TTYFPQQXVOHDAF-VSKRKVRLSA-N 397.434 3.589 30 40 GHEB CN(C(=O)COC(=O)Cc1c(Cl)cccc1Cl)C1(C#N)CCCCC1 6611612 MDLPIGUDNVLTPB-UHFFFAOYSA-N 383.275 3.764 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408937052 MFOOOHACROWSJF-UYRXBGFRSA-N 376.412 3.535 30 40 GHEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1cccc(Cl)c1 408536860 SULSXYLZZQYNNE-CQSZACIVSA-N 376.199 3.595 30 40 GHEB CC(C)Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccnc1 32579404 QXEGYTUOOJFRNO-UHFFFAOYSA-N 392.488 3.599 30 40 GHEB CC1CCN(C(=O)[C@@H]2CCCN(c3oc(-c4ccccc4)nc3C#N)C2)CC1 41157764 UYTMZHWGRVWFPL-GOSISDBHSA-N 378.476 3.688 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 226693881 YPNVUYNTXIEDTP-UWZQGKBXSA-N 386.451 3.797 30 40 GHEB COc1ccc(/N=C/c2cc(I)c(O)c(OC)c2)cc1 3068582 SGQWGOQLJCKCNJ-RQZCQDPDSA-N 383.185 3.765 30 40 GHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 19087862 OPDBQXOXCWDMAY-FQEVSTJZSA-N 378.403 3.834 30 40 GHEB CCCCCCCNC(=O)/C(=C\c1ccc(OC)c(OC)c1)n1ccccc1=O 59211783 VLEJLTDIIAPHMG-KNTRCKAVSA-N 398.503 3.950 30 40 GHEB C=CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1 2626129 CISDZJRUOVFRHR-UHFFFAOYSA-N 390.818 3.555 30 40 GHEB COc1cc(/C=N/O)cc(Br)c1OCc1ccc(C(=O)O)cc1 4689960 IBDYWNVDUHBEBW-QGMBQPNBSA-N 380.194 3.543 30 40 GHEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2I)c1 408592118 LBUYKJCOTLENPS-CXUHLZMHSA-N 382.157 3.750 30 40 GHEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)cc1 409102315 RVGOXGGJEVPLDZ-HKWRFOASSA-N 393.512 3.977 30 40 GHEB Cc1cccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1[N+](=O)[O-] 32911069 ATDGNXJAEJAUMA-UNOMPAQXSA-N 394.427 3.941 30 40 GHEB COC(=O)[C@@H](Cc1ccccc1)N/C=C\C(=O)c1ccc(Br)cc1 16189636 OHFIPDFPPPOMLQ-WFTPILKQSA-N 388.261 3.519 30 40 GHEB Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959926 JWUZKUKDUYMMJY-VFNWGFHPSA-N 389.459 3.661 30 40 GHEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C[C@@]12C#N 710733 XJNIDPXCCOSCQA-YTQUADARSA-N 397.573 3.785 30 40 GHEB C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 60379412 VKGJMQCEPJXKNP-QHCPKHFHSA-N 382.423 3.587 30 40 GHEB N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 21473101 GURIPEFAJWPXCM-MRXNPFEDSA-N 383.473 3.557 30 40 GHEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3cccs3)on2)nc1C 11917432 WCOLXQPTUYOJJA-UHFFFAOYSA-N 375.431 3.763 30 40 GHEB CN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)C1(C#N)CCCCC1 8541076 RFKHZJXQLLPWCZ-UHFFFAOYSA-N 376.456 3.981 30 40 GHEB Cc1c(/N=C2\S/C(=C\c3ccc(C#N)cc3)C(=O)N2C)cccc1C(=O)O 408932175 BLIBQSLNABAZEI-UHCDTHPYSA-N 377.425 3.799 30 40 GHEB Cn1cccc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409301721 DJQKOKABAUPNRZ-UHFFFAOYSA-N 387.281 3.677 30 40 GHEB CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1 5163380 JGDOUQTXBPBNMW-LDADJPATSA-N 392.437 3.602 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 409054587 SXRKZNZZNQOVOL-CYVLTUHYSA-N 379.437 3.814 30 40 GHEB N#Cc1cccc(N2CCC[C@@]3(CN(Cc4cccnc4)CC(F)(F)C3)C2=O)c1 306123002 ABYRHNUGYUYVES-OAQYLSRUSA-N 396.441 3.608 30 40 GHEB Cc1nc(C2CC2)nc(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C#N 37170587 IHVXPWNZPJOWCL-ZDUSSCGKSA-N 384.480 3.812 30 40 GHEB N#C/C(=N\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 44827494 GAJIRMRBWZGLEW-KGENOOAVSA-N 394.372 3.966 30 40 GHEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 4275187 KVSWCCITRXWCRG-UHFFFAOYSA-N 397.500 3.956 30 40 GHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccc(Cl)c(Cl)c1 2332241391 WAMVVWNXIIRTDM-SOUVJXGZSA-N 384.376 3.854 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(OC)c(OC)cc21 101035601 QIRJHLCRTPMYKM-XDOYNYLZSA-N 379.441 3.519 30 40 GHEB COC(=O)c1scc(C)c1NC(=O)[C@H](C)Sc1nc(C)cc(C)c1C#N 712070 LFPJGEIQPDQEOU-LBPRGKRZSA-N 389.502 3.846 30 40 GHEB CC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 56026712 LINJPMNCZVPQTR-UHFFFAOYSA-N 378.432 3.515 30 40 GHEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(F)cc1 11859786 QBARANZGXAPICV-FEGCFHEDSA-N 396.490 3.568 30 40 GHEB COc1ccccc1/C=N/O[C@H](C)C(=O)Nc1ccc(Br)cc1 2616187 WNONWSAYLXRDFF-ZGXHQARYSA-N 377.238 3.835 30 40 GHEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/n1c(C)nc2ccccc2c1=O 3538377 JDYFYCLARUNNIP-FSJBWODESA-N 391.862 3.794 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C#N 8728515 NZQZAZZKTMJSDT-UHFFFAOYSA-N 392.484 3.697 30 40 GHEB N#CCOc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409404667 QNEDZCUHNYMCKD-UHFFFAOYSA-N 380.407 3.848 30 40 GHEB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 409128527 FIDZMTXAOGIIHP-XDHOZWIPSA-N 394.452 3.820 30 40 GHEB CC/N=C1/S/C(=C/c2cc(OC)c(OC)cc2Br)C(=O)N1CC 408930569 YWWVSIHBJIXKQV-XUVFPMAOSA-N 399.310 3.778 30 40 GHEB COCc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585293415 HCCCEMJIBSLGDW-FQEVSTJZSA-N 390.447 3.563 30 40 GHEB CC(C)c1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2N)cc1 5352843 UWFBKEZYKHSEKF-UHFFFAOYSA-N 379.489 3.858 30 40 GHEB C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1OCc1ccc(Cl)cc1 15012700 MRGDVYRKIZLNLX-YVLHZVERSA-N 398.846 3.836 30 40 GHEB C[N+]1(Cc2c(Cl)cccc2Cl)CCN(/C=C/C(=O)C(F)(F)F)CC1 5577066 YQPSKAGJJIZFOW-AATRIKPKSA-N 382.233 3.901 30 40 GHEB C=CCn1c(N)nnc1S[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 32780009 IINSDXRONCFJNJ-ZDUSSCGKSA-N 399.442 3.821 30 40 GHEB CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 847277 YAHNWFREONALKD-IBGZPJMESA-N 385.460 3.568 30 40 GHEB COc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 3364915 SVGSCHPQMAYNLV-UHFFFAOYSA-N 382.470 3.963 30 40 GHEB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sccc2C#N)cc1 4200753 YLHYNRUTDGEFNH-UHFFFAOYSA-N 397.481 3.981 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1 4406231 AUTHIGPVRCOTLD-DRWCTHJISA-N 392.455 3.926 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 5373756 YZBNKGPXIADMPZ-BAAYTWLHSA-N 377.487 3.562 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccco1 6478242 AJWIPWWRMBTJQC-UHFFFAOYSA-N 399.432 3.672 30 40 GHEB COC[C@@H](C)/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 7981684 GKTCJIVYXRWAIL-MYAASBOSSA-N 396.472 3.943 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 9194744 AQHDKOAUBXVHLR-NSHDSACASA-N 378.519 3.567 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 17078844 YPNVUYNTXIEDTP-XTEHIJPUSA-N 386.451 3.797 30 40 GHEB C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 23411122 QJEKCEUAEOEEHA-YVLHZVERSA-N 387.686 3.805 30 40 GHEB COc1ccc2[nH]cc(/C=C3\S/C(=N/c4nnc(C)s4)N(C)C3=O)c2c1 97514723 QHOUSASVXQLZJW-RTJHJHGXSA-N 385.474 3.570 30 40 GHEB COc1ccccc1[C@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1c1ccccn1 102858654 FPTRVBCZHXFQAF-GHNGSUTGSA-N 392.436 3.778 30 40 GHEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218591213 BPGVBKPHFQTEDA-YESZJQIVSA-N 380.252 3.642 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OCC)cc1 224600961 CHCJCBKHBKLSMF-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccccc1Cl 408740928 JEGHFOWAMCUOHQ-IDTCLIEOSA-N 392.267 3.760 30 40 GHEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C(=O)O)cc1 409066985 INXBBCZXFYKWEO-JVTDZOJGSA-N 398.440 3.723 30 40 GHEB CC1(C)OB(c2cc(F)c(Br)cc2Br)OC1(C)C 642814576 RCBWOFXGVZQBON-UHFFFAOYSA-N 379.860 3.650 30 40 GHEB CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795037 ZXOJHURQNJGYEP-VQIMIIECSA-N 381.428 3.599 30 40 GHEB CCCCCCCCNC(=O)C[C@H]1S/C(=N\N=C\c2ccco2)N=C1O 100167952 VAAXDQYYNVCKHE-OOWUWCJESA-N 378.498 3.908 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 24926130 JXXZXZNVHZMIJP-JLHYYAGUSA-N 390.483 3.686 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2F)no1 13208641 PVSZHJRLWWXDMC-KRWDZBQOSA-N 382.347 3.806 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccccn4)nc13)O2 5351418 OTJBEZQVTROIGD-GOSISDBHSA-N 395.422 3.718 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)c1 5408851 BWXXALLNWJRZTR-GOSISDBHSA-N 379.368 3.660 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 4660377 WMLOFKAZEWIKDX-GERRWAMXSA-N 382.441 3.635 30 40 GHEB O=C1/C(=C\c2ccccn2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 9422517 FEJFCLZMVSXFJF-XMHGGMMESA-N 376.437 3.510 30 40 GHEB CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 25630810 KLEGWZSOQSZBCO-PPMYUTJDSA-N 388.504 3.993 30 40 GHEB C=CCOc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222517107 FQBBMZGMMLMIPP-UHFFFAOYSA-N 394.880 3.553 30 40 GHEB Cc1nc(-c2ccc(CCNC(=O)COc3ccc(C#N)cc3)cc2)cs1 12621049 ZCIJRBCXUNQBKL-UHFFFAOYSA-N 377.469 3.728 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C2=O)cc1 5373782 XLYAZCBAYVUAAM-NTVNDFENSA-N 391.514 3.952 30 40 GHEB NC(=S)N/N=C/c1c(OC(=O)/C=C/c2ccccc2)ccc2ccccc12 1465065 SQMYAYHFTAJNGC-ZQUUHJABSA-N 375.453 3.626 30 40 GHEB Cc1ccc(-c2cnc(SCC(=O)NCCC#N)n2-c2ccccc2)cc1 7128513 IUCHQVICDYTIFC-UHFFFAOYSA-N 376.485 3.970 30 40 GHEB O=C(C[C@H]1S/C(=N/C2CCCC2)NC1=O)Nc1ccccc1C(F)(F)F 21862985 USKBHCRQXWBIGJ-CYBMUJFWSA-N 385.411 3.564 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccs1 2365954 MIFOGERWJZXJBL-UHFFFAOYSA-N 386.502 3.932 30 40 GHEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCC#N 408848133 PMRLETSLSAVDGR-PJICLEDRSA-N 385.489 3.638 30 40 GHEB C=CCN1CCN(C(=O)CC(C)C)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351758 DDOUWNJDFOQTOG-JOCHJYFZSA-N 391.515 3.563 30 40 GHEB CS/C(=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)OC(C)C 13601550 FBIOYZFVDRYAPR-LKRWSQIDSA-N 376.503 3.966 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC(=O)O)cc1 19208986 NZQDUVCTGOUQIV-SFHVURJKSA-N 399.830 3.701 30 40 GHEB N#Cc1ccsc1NC(=O)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 40154701 QNKXQGATFXZEPB-INIZCTEOSA-N 375.881 3.675 30 40 GHEB CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/CCCN(CC)CC 100163174 FIWNBYWYRPREGG-PXLXIMEGSA-N 399.564 3.879 30 40 GHEB COc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCCCO4)cc1 101368097 NFLBVJOMUXDUGY-UHFFFAOYSA-N 399.450 3.899 30 40 GHEB C=CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12873325 RCJCJODAQSQWCM-UHFFFAOYSA-N 377.535 3.584 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl 409089514 MSYFBCISMUKVGB-ATTDUZETSA-N 393.917 3.732 30 40 GHEB N#Cc1ccc(OCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 6083373 LYQWPYTUPNRFRY-KRWDZBQOSA-N 393.468 3.759 30 40 GHEB CN(C)c1ccc(/[N+]([O-])=C/C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 5174463 KCMBYIXAFYNYKT-YSMPRRRNSA-N 391.475 3.726 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 8472713 CMILMPVHRAVEMI-UHFFFAOYSA-N 396.516 3.685 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 5382167 PKMNHFOWBUPVSI-KGENOOAVSA-N 399.497 3.703 30 40 GHEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)S2)cc1 4695955 DHKDSAZMDDILMH-GZTJUZNOSA-N 382.441 3.604 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SC[C@@H]3CC3(Cl)Cl)nnc12 6983164 ZNAGFALPQOUIAK-JTQLQIEISA-N 381.288 3.516 30 40 GHEB O=C(O)COc1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1 7007730 PZHUUIXFBXNMLL-XBXARRHUSA-N 379.181 3.948 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1 96336513 WPCDTLPIZMKNBV-OAHLLOKOSA-N 382.397 3.528 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 408590243 OIMRWWDKUMJMQA-AAZRBQJISA-N 399.494 3.790 30 40 GHEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 33718884 SMGHTSFUXJHMTF-UHFFFAOYSA-N 378.881 3.673 30 40 GHEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cn1 225919344 ZLORBAGMQSOVQJ-UHFFFAOYSA-N 388.851 3.990 30 40 GHEB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(/C=[N+](\[O-])c3ccccc3)cc2)cc1 255190429 XEBNGCVHYGAEQA-ZHZULCJRSA-N 398.396 3.623 30 40 GHEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1 5931429 VCJHGHDMRXMNPP-NHYWBVRUSA-N 382.489 3.620 30 40 GHEB C/C(CC(=O)Nc1ccccc1Cl)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16953153 KXUHAGURQZSYPZ-VXLYETTFSA-N 391.771 3.973 30 40 GHEB CCN(CC)CCN(/C(=N\c1ccccc1)N1CCOCC1)c1ccccc1 17255442 WYQMAWCVLYTLKL-VHXPQNKSSA-N 380.536 3.855 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1 4406230 AUTHIGPVRCOTLD-WHIIXXIBSA-N 392.455 3.926 30 40 GHEB O=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccccc2)C(Cl)=C1Cl 3095713 HBCBGVVYIBAESO-UHFFFAOYSA-N 385.055 3.777 30 40 GHEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4cccc(Br)c4O)cnc3c2c1 2271970 JWIJHFGEJJQALP-ODCIPOBUSA-N 397.232 3.537 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 4980601 SHLQQCCNHOCUFY-SFHVURJKSA-N 385.847 3.955 30 40 GHEB O=C(C1=C(O)C(=O)N(c2cncnc2)[C@@H]1c1ccccc1Cl)c1ccccc1 5887775 QYPSNEVKMDANHR-GOSISDBHSA-N 391.814 3.913 30 40 GHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 5901229 KPEAYAPUFVLCFZ-JFENUBAZSA-N 398.411 3.650 30 40 GHEB biogenic COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccccc1)c1cccs1 7017390 BWOYGKQFNQUJDE-OAQYLSRUSA-N 378.453 3.913 30 40 GHEB C=CCOc1ccc(C(=O)N2CC[C@@H](c3cc4ncccc4c(O)n3)C2)cc1 19016086 CUMNKOQOUSFMNQ-MRXNPFEDSA-N 375.428 3.530 30 40 GHEB Clc1ccc(CSc2nncn2/N=C/c2ccc3c(c2)OCCO3)cc1 23098895 XZOBLCQMVSRQAD-UFFVCSGVSA-N 386.864 3.877 30 40 GHEB CC(=O)Nc1cccc(/N=C2\NN=C(c3ccc4c(c3)OCCCO4)CS2)c1 26144311 OUYVJNVRENXOPL-UHFFFAOYSA-N 396.472 3.535 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cn(Cc2ccccc2)c2ccccc12 254406288 VCELNCUAXSXQGI-HTUUBCJYSA-N 395.462 3.831 30 40 GHEB Cc1ccc(CN2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)cn1 585293791 AIWZNKXVISESET-UHFFFAOYSA-N 399.502 3.878 30 40 GHEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1 933882 MIQJLURWWYJROO-UHFFFAOYSA-N 392.484 3.912 30 40 GHEB N#CC1CCN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 57994790 GCWNRLSZKFVPET-UHFFFAOYSA-N 376.298 3.816 30 40 GHEB N#Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 58209712 VQTCZEIESIKZPC-QGZVFWFLSA-N 377.469 3.923 30 40 GHEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 53841401 LEZWIOIVILVRLT-INIZCTEOSA-N 393.516 3.729 30 40 GHEB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)ccc1OCC#N 3471041 UWXYXTUSNOBVEZ-BPLPYTOXSA-N 379.412 3.734 30 40 GHEB O=C1c2ccccc2C(=O)N1/N=C/c1cccn1-c1cccc(Br)c1 409012537 KDNVRXVIIPCWHM-CIAFOILYSA-N 394.228 3.870 30 40 GHEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(I)o1 6927236 GEUUNJIJYSSUEA-DHZHZOJOSA-N 396.209 3.776 30 40 GHEB C=CCn1c(SCCOc2ccccc2C(C)=O)nnc1-c1cccnc1 8775151 GQJDDYQGUGWGNU-UHFFFAOYSA-N 380.473 3.900 30 40 GHEB N#Cc1cc(C#N)c(SCC(=O)N(c2ccccc2)c2ccccc2)nc1N 18240449 BQZZINUVKZWVJA-UHFFFAOYSA-N 385.452 3.864 30 40 GHEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 252492236 MGGGLJRHHHLKLD-LIMNOBDPSA-N 396.323 3.929 30 40 GHEB C[C@@H]1C(=NO)[C@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 16608259 XIEVXBGRBVCJHK-WWEJGBHESA-N 384.392 3.991 30 40 GHEB C=CCc1cc(/C=C2/NC(Nc3ccc(C)cc3)=NC2=O)cc(OCC)c1O 17077194 HDHUQFVFQPALPE-LDADJPATSA-N 377.444 3.767 30 40 GHEB CC1(C)CC(=O)C(=CNCC2CCN(C(=S)Nc3ccccc3)CC2)C(=O)C1 100727707 KOVCCQNBZYUZNI-UHFFFAOYSA-N 399.560 3.527 30 40 GHEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 32071526 BUVYNQUXHHTGJR-HNNXBMFYSA-N 393.834 3.760 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)OCc3cc(-c4ccccc4)on3)CC2)nc1 32873883 QFGJUIAXNXSNTJ-UHFFFAOYSA-N 388.427 3.568 30 40 GHEB Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1sc3c(c1C#N)CCCC3)C(=O)N2 938441 XGKCYKHLZGGNBW-QGZVFWFLSA-N 394.500 3.877 30 40 GHEB Cc1c(N2CCN(Cc3cccc4cccnc34)CC2)cc(C#N)cc1[N+](=O)[O-] 51624797 RMDRYPRIHVUEEF-UHFFFAOYSA-N 387.443 3.645 30 40 GHEB C=CCn1c(SCC(=O)NC2CCCCC2)nc2sc(CC)cc2c1=O 3268740 IBVJHFGUWZUNLV-UHFFFAOYSA-N 391.562 3.747 30 40 GHEB N#Cc1nc(-c2ccccc2F)oc1NC[C@@H](c1ccccc1)N1CCOCC1 27750395 UXGVOQLDBKUWBC-FQEVSTJZSA-N 392.434 3.838 30 40 GHEB CC1(C)COP(=O)(/N=C2/CCCN2P2(=O)OCC(C)(C)CO2)OC1 13739079 NNUGKTWOQSXMOC-QINSGFPZSA-N 380.318 3.843 30 40 GHEB Cc1cc(N/N=C/c2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 4600107 HZCUSYUUMGSVCS-VXLYETTFSA-N 385.269 3.796 30 40 GHEB O=C(O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccc(Cl)cc2)S1 100088864 PCYMBWIMOZWEHC-QQMHEVNUSA-N 388.876 3.989 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270376 BAVXELOLGWJXQO-UHFFFAOYSA-N 381.794 3.813 30 40 GHEB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 40051057 FLJVCNMHWKOWMP-UHFFFAOYSA-N 379.423 3.623 30 40 GHEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NC[C@H](c1ccco1)N1CCCC1 27562171 ANLYPIYHEUYVSO-QGZVFWFLSA-N 393.403 3.963 30 40 GHEB N#Cc1ccc(C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)cc1 3300857 QFQHRAJUQVUGOD-HXUWFJFHSA-N 398.418 3.967 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1Cl 6886787 JHCONYKSUPRUDF-UHFFFAOYSA-N 399.859 3.936 30 40 GHEB COc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1Br 28912838 IZHQGRDYTZDBKR-XYOKQWHBSA-N 393.258 3.511 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC 409195818 LDAVXPNUVUAYFC-PDGQHHTCSA-N 398.509 3.663 30 40 GHEB C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 225148049 MLLVNMXANQDAOT-UHFFFAOYSA-N 393.892 3.894 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 1529337407 IUVVCKYNMGDRRT-DEOWJFDFSA-N 392.842 3.987 30 40 GHEB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 4585747 VGQXZJISYPNUAB-LBPRGKRZSA-N 388.514 3.790 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(F)cc1 11859780 PMZJFNIGYHXHPM-SOBIRXOSSA-N 390.461 3.507 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OC 882637 JVYNIYXDCJUKBB-IBGZPJMESA-N 375.424 3.827 30 40 GHEB CCN1C(C(=O)c2ccccc2)=C(NC(C)(C)C)c2ccccc2S1(=O)=O 2297037 AWOXXDFPRKOROO-UHFFFAOYSA-N 384.501 3.650 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C 12851252 RCJATWCZPNRDEK-UHFFFAOYSA-N 395.326 3.883 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccc(OC)cc2)cc1 6129727 YLJGWZUYNXTAHG-PYUKZKILSA-N 383.473 3.558 30 40 GHEB CCOC(=O)c1cc(Cl)c(OCC(=O)N[C@](C)(C#N)C(C)C)c(Cl)c1 14242509 JVKATGOBYRAYJF-QGZVFWFLSA-N 387.263 3.603 30 40 GHEB Cc1nc(NCCCc2n[nH]c(N)c2C#N)c2c(-c3ccccc3)csc2n1 9647428 QHFMNAWVBGHJTC-UHFFFAOYSA-N 389.488 3.888 30 40 GHEB CCOc1cccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c1 9484276 UTDGHXBPGAOJIU-VBKZILBWSA-N 376.416 3.686 30 40 GHEB Cc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1C 408741432 LYIGOODZXUCPSB-CTJICSLTSA-N 385.876 3.723 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2cccc(O)c2)cc1 5409015 RGYARUQPTKANAB-FQEVSTJZSA-N 386.407 3.879 30 40 GHEB C[N+](C)(C)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 5808147 XWWQIGFMXIYJTA-LKNRODPVSA-N 389.519 3.661 30 40 GHEB CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(N)=O)cnn32)cc1 40288122 GHBCGTYDLQEOHE-IBGZPJMESA-N 378.476 3.764 30 40 GHEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1 872631 OWCJPGIPJFWZQE-UHFFFAOYSA-N 394.412 3.754 30 40 GHEB C=CC[C@@]1([C@H](C)[C@H](OC(C)=O)c2ccc3c(c2)OCO3)C[C@H](OC)C=CC1=O 6494212 LOEYSVINYLTHMX-QGUZNEQPSA-N 386.444 3.762 30 40 GHEB C=CC[C@@]1([C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)C[C@H](OC)C=CC1=O 6494303 LOEYSVINYLTHMX-YFNREYABSA-N 386.444 3.762 30 40 GHEB CCc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408743676 WYRVOCHTMIIORO-XYHOIZSOSA-N 385.876 3.669 30 40 GHEB C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H](C)Oc2ccccc2C#N)C1 36398560 RECVXAWEOQRRLQ-RBUKOAKNSA-N 391.515 3.874 30 40 GHEB N#CCSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 3316782 OZCCCYLHDUQGKL-UVTDQMKNSA-N 375.356 3.881 30 40 GHEB C=CCOc1ccc(-c2nc3c(sc(=S)n3CC=C)c(=O)[nH]2)cc1OC 3627180 WOSKWHRYWKYAJV-UHFFFAOYSA-N 387.486 3.942 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[nH]c(=O)c2[C@H]1c1ccccc1 4292295 IFUIVMIPOYOLQV-INIZCTEOSA-N 395.484 3.609 30 40 GHEB C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCCC3 6185965 UHAYSLRMFVXBFO-UHFFFAOYSA-N 385.514 3.826 30 40 GHEB Cc1ccc(C[C@H](C#N)Sc2nnc([C@H]3COc4ccccc4O3)n2C)cc1 6589286 IRBADADCQQYSON-VQIMIIECSA-N 392.484 3.863 30 40 GHEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccnc1 24672172 XYELHIOIOITMQJ-HXUWFJFHSA-N 387.524 3.658 30 40 GHEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)cc1 408742024 OVRHDVDEZNEXHH-UMXKZIAQSA-N 392.267 3.760 30 40 GHEB O/C(CN1CCC(Oc2ccc(F)cc2)CC1)=N\c1nnc(C2CC2)s1 19658578 IUIQAKXQDPTSHR-UHFFFAOYSA-N 376.457 3.686 30 40 GHEB N#CC1(C(=O)N2CCc3sc(COCc4cccnc4)cc3C2)CCCC1 1565554598 VOQHYNHXBHOUGW-UHFFFAOYSA-N 381.501 3.829 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1 1260717 XQMYTQQHXORADL-UHFFFAOYSA-N 381.457 3.826 30 40 GHEB C=CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1 6158475 ZIFRGUIZFKGWHI-QGZVFWFLSA-N 388.261 3.519 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(O[C@H](C)CC)c(Br)c2)C1=O 664796 ABMOQGAFISQPOW-ZTMOJVSCSA-N 379.254 3.705 30 40 GHEB CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58265035 PHEAYOPCYVVNHQ-JOCHJYFZSA-N 376.504 3.612 30 40 GHEB C=C(Br)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 58369661 FMSBOCAIWKYHJL-GFCCVEGCSA-N 381.295 3.576 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C)Sc4ccccc43)cc2C1=O 17525554 OZFHEXPWGJTKAJ-CQSZACIVSA-N 392.480 4.000 30 40 GHEB C#CCOc1c(I)cc(CNc2ccccc2)cc1OC 4676910 HSBYIDIQRITFHC-UHFFFAOYSA-N 393.224 3.924 30 40 GHEB C=CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccc(Cl)s1 18939468 HVBVHORHPQSVSI-UHFFFAOYSA-N 393.896 3.746 30 40 GHEB C#CCOc1ccccc1CN(C)C(=O)Nc1nnc(CC2CCCC2)s1 72270429 IWCZOINOOPPXEY-UHFFFAOYSA-N 384.505 3.947 30 40 GHEB C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 33887585 XIEVXBGRBVCJHK-WPZAJUNFSA-N 384.392 3.991 30 40 GHEB N#Cc1cccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c1 32442004 YHDUVOYHVQRGRP-UHFFFAOYSA-N 392.480 3.754 30 40 GHEB N#Cc1c(Br)nc(-c2cccc(Br)c2)c(C#N)c1N 78549683 LMCSQHAUZDTXJK-UHFFFAOYSA-N 378.027 3.599 30 40 GHEB N#Cc1cc2c(nc1S[C@H]1CC(=O)N(c3ccccc3)C1=O)CCCCC2 100580966 PUKQXAICJCERSH-SFHVURJKSA-N 377.469 3.646 30 40 GHEB O=C(On1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1Cl 811510 TUJQMGYFWDQJFS-UHFFFAOYSA-N 376.799 3.986 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1cc(C)ccc1C 4851951 ABGVFSOGFTWASW-UHFFFAOYSA-N 382.489 3.847 30 40 GHEB CCCCCCCCCCCCOC[C@@H](O)Cn1cnc2c(N)ncnc21 104233791 NAMXINPSVKQBNM-KRWDZBQOSA-N 377.533 3.707 30 40 GHEB CCOc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc([N+](=O)[O-])c1O 59145602 PXZWYMHEIIGCOY-YBEGLDIGSA-N 399.428 3.899 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\SC(=S)NC2=O)cc1 408896385 NFJLLJACFSNSJM-CHHVJCJISA-N 383.410 3.748 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cccnc1 8471511 LBMGINQCVVSEOO-UHFFFAOYSA-N 383.452 3.704 30 40 GHEB O=C(/C=C/c1ccc(Cl)s1)c1ccc(OCC(=O)N2CCOCC2)cc1 14179230 UZECKKDKQMUODU-FNORWQNLSA-N 391.876 3.535 30 40 GHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3ccc(Cl)cc3)S2)cc1 4899182 UPZUALYCABJPEP-ORWNMUSCSA-N 387.892 3.903 30 40 GHEB O=[N+]([O-])c1cccnc1N/N=C/c1cccn1-c1ccc(Br)cc1 409104055 IIJBKJQRPBCYBO-YBFXNURJSA-N 386.209 3.989 30 40 GHEB O=C(COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)NCc1ccccc1 408575817 NQUYBNLQGWWKFU-UHFFFAOYSA-N 397.430 3.844 30 40 GHEB O=C(/C=C\Nc1ccccc1C(=O)O)c1ccc(I)cc1 6276724 KQMLIYWCVFDAFX-KTKRTIGZSA-N 393.180 3.798 30 40 GHEB CCCCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 12410706 SZDVIWXMRJOPNM-GYHWCHFESA-N 393.487 3.623 30 40 GHEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 4944632 PHBNKESPTVLSBO-LBPRGKRZSA-N 395.406 3.551 30 40 GHEB CC1=CC=CC2=N/C(=N\S(=O)(=O)c3ccc(F)cc3F)c3ccccc3CN12 101641292 LEWKKJWVCPZUDC-GFMRDNFCSA-N 399.422 3.788 30 40 GHEB CO/N=C(\C(=O)O)c1csc(NC2=NN=C(c3ccc(SC)cc3)C2)c1 20507181 FMPCHNOJYPAANF-PGMHBOJBSA-N 388.474 3.524 30 40 GHEB CCOCCCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N 8253216 VPGBXFYNSOZDDP-BQYQJAHWSA-N 387.436 3.581 30 40 GHEB CCc1ccc(N2C(=O)[C@H](/C=N/c3cc(C)ccc3C)C(=O)NC2=S)cc1 4738573 INWMHVHPCBZCNA-ORWNMUSCSA-N 379.485 3.632 30 40 GHEB CCOc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)c(O)c1 4855474 GJPLIBKKCZMXDX-OEAKJJBVSA-N 377.448 3.947 30 40 GHEB COCCCN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O 409029942 DHVVRIUOHGNGEE-UHFFFAOYSA-N 381.472 3.842 30 40 GHEB C#CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 408842836 LCURTSNYSRYVFI-OAQYLSRUSA-N 399.446 3.830 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224988735 YCQNTSQGQQBXQZ-UHFFFAOYSA-N 394.474 3.707 30 40 GHEB O=C1CCCC2=C1[C@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)c3ccccc3C1=N2 96307123 QRCWIPYHIWGVDI-ICSRJNTNSA-N 388.379 3.707 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 66088870 FZVWCEZVMVESDZ-IBGZPJMESA-N 399.418 3.536 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(C)=O)cc1 2055131 UWACIDCTSJJPEL-FQEVSTJZSA-N 383.444 3.533 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)COc2ccc(C(C)C)c(C)c2)n1 6607519 SQVHRNWEDXFNTN-KRWDZBQOSA-N 386.473 3.682 30 40 GHEB N/C(=N\OC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1cccc(Br)c1 8986393 KTHBXOVWKFZTNS-KGLIPLIRSA-N 377.213 3.555 30 40 GHEB CN(C)/C=C(\C(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1 12368355 VFUNFWPHNHBBEE-SDNWHVSQSA-N 388.258 3.755 30 40 GHEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc(OC)c1O 13691446 DVYANDBOKXKRFC-KRWDZBQOSA-N 384.432 3.906 30 40 GHEB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(OCC#N)cc2)cc1 23149793 WMVYIAXSVOBVTL-UHFFFAOYSA-N 379.460 3.645 30 40 GHEB COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@@H]1c1ccccc1 40287514 SRWLXWWFEYUSKW-HXUWFJFHSA-N 385.427 3.691 30 40 GHEB N#Cc1ccccc1-c1ccccc1C(=O)NCC(=O)N1CCCc2ccccc21 57269748 WXOCXVXNGHGAQT-UHFFFAOYSA-N 395.462 3.934 30 40 GHEB 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382.444 3.622 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCCCc2ccccc2)cc1 12848743 FQVQXCULRMYGGD-NTCAYCPXSA-N 379.456 3.557 30 40 GHEB COc1ccc(/C=N/Nc2ncnc3c2[nH]c2ccccc23)c(OC)c1OC 8684752 QAPCZGNBSTVRKI-AUEPDCJTSA-N 377.404 3.583 30 40 GHEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/Nc1ccc(C(=O)O)cc1 5943574 BJCVLCPSLJVCNX-HZHRSRAPSA-N 389.459 3.925 30 40 GHEB N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 5938490 NAGJEPTUAIJYQU-UHFFFAOYSA-N 395.415 3.750 30 40 GHEB Cc1nn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)c(C#N)c1C 7384909 SNDXSHKDRLRQFT-UHFFFAOYSA-N 381.439 3.633 30 40 GHEB C=CCN(C(=O)c1nn(-c2ccccc2)nc1C)c1nc2c(s1)CCCC2 15968923 RWJGYUSFAUFKRU-UHFFFAOYSA-N 379.489 3.744 30 40 GHEB COc1ccc(CC(=O)OCC#Cc2ccc(C(F)(F)F)cc2)cc1OC 78999924 UUVTWUMFWZXYPG-UHFFFAOYSA-N 378.346 3.860 30 40 GHEB C=CCNc1nnc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)s1 5754118 GOPCLIHRRMBHCI-VIFPVBQESA-N 379.536 3.904 30 40 GHEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccco1 5862687 DJJVUYXDZGJACD-UHFFFAOYSA-N 399.501 3.618 30 40 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392.484 3.920 30 40 GHEB CC(C)OC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 19852797 PZVSIQMMMGJUME-UHFFFAOYSA-N 387.530 3.713 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C 408605987 ZYNLXJVEOAQHSY-UHFFFAOYSA-N 389.249 3.964 30 40 GHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 409104865 KIYYYVICQNUPMU-UFFVCSGVSA-N 379.376 3.572 30 40 GHEB COc1ccc(OC)c(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)c1 408753835 QVKFICGTGKGWIJ-LICLKQGHSA-N 399.428 3.812 30 40 GHEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C(=O)O)cc1 210531258 RNXVCBSBNORQJP-DOXJHMMXSA-N 397.412 3.917 30 40 GHEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(OC)cc1 224869747 AOMBMXIJXATSLU-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)ccc1O 5444134 OVPSESPSUPGEOV-IBGZPJMESA-N 381.428 3.635 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3cccc4ccccc34)C(=O)NC2=S)cc1 16292815 VSNJYYYCZCJXAQ-VLZFXTDASA-N 387.464 3.915 30 40 GHEB COc1cc(/C=N/c2nnc[nH]2)cc(Br)c1OCc1ccccc1 8206905 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JSKIWHMEFKIRKJ-UHFFFAOYSA-N 386.517 3.593 30 40 GHEB N=C(/N=C/c1cc([N+](=O)[O-])ccc1O)SC[C@@H]1CCCN2CCCC[C@@H]12 17610824 WLHXYODDKCAAPL-FRFYWGJISA-N 376.482 3.652 30 40 GHEB COc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 169935820 HOWCIFCXRJWIAH-NRFANRHFSA-N 396.512 3.998 30 40 GHEB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355069 ORBPNLNUDTYIAD-XJKSGUPXSA-N 397.500 3.665 30 40 GHEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1cccc2ccccc12 6882074 XLRBLZXGBLCUCA-MRXNPFEDSA-N 386.455 3.609 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 727470 RUEFUIUNFNPFTF-OAHLLOKOSA-N 375.852 3.830 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c1 58140486 ZSHIBVLLTJCQCE-IRXDYDNUSA-N 392.455 3.514 30 40 GHEB CC[C@]1(C)NC(=O)N(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1=O 3309710 CFNQXTQEHZFPOS-JLDPKJTDSA-N 393.472 3.655 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 4684730 KJUNSZPXAKEHHS-IBGZPJMESA-N 390.399 3.963 30 40 GHEB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N/C2CCCC2)NC1=O 7850566 DIRXEIVGJHYXAR-HNNXBMFYSA-N 395.912 3.516 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)c2C)c1 408585985 ACMCRALKNILPFU-JDBUDTDXSA-N 399.494 3.790 30 40 GHEB Cc1cccnc1CN1CCC[C@H](c2csc(=Nc3ccc(C#N)nc3)[nH]2)C1 585294544 IFDCWLVQWMZHLZ-INIZCTEOSA-N 390.516 3.658 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C#N)C1 4325526 UEAQCCCQJVWOLM-ZDUSSCGKSA-N 388.514 3.547 30 40 GHEB CSc1ccccc1CN1CCC(CNC(=O)c2cccc(C#N)c2)CC1 43991089 JLCRZEOOIJWXQO-UHFFFAOYSA-N 379.529 3.922 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 20171865 ZACGFWKHPGVFLQ-GOSISDBHSA-N 384.501 3.668 30 40 GHEB COCCn1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1 7203074 PTHUUAGVOHSBKA-ZDUSSCGKSA-N 375.885 3.781 30 40 GHEB O=C(N1CCc2ccccc21)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 2198631 YGGYUBBVCPSXLV-CYBMUJFWSA-N 393.205 3.770 30 40 GHEB Cc1c(C#N)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(Cc2ccco2)c1C 5273383 OAZFVGVKHAZWQX-UHFFFAOYSA-N 394.387 3.544 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1O 408599658 IXFFXMLCKWVWSD-UHFFFAOYSA-N 384.436 3.707 30 40 GHEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224833685 KRLQSIPTOGTKEJ-UHFFFAOYSA-N 379.865 3.801 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 1004066 YFKCQKVLXIQCGV-XNTDXEJSSA-N 382.485 3.701 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/Cc2nnnn2-c2ccc(-c3ccccc3)cc2)cc1 5279951 KQQGACCZPVLYON-PXLXIMEGSA-N 399.414 3.878 30 40 GHEB C=CCn1c(S)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1=O 101246919 OXPYMXFVJJGXLR-UHFFFAOYSA-N 389.839 3.916 30 40 GHEB O=C1C[C@H](c2cccc(Br)c2)C2=C(O1)C(=O)c1ccccc1C2=O 20739777 LJXCEQGNIJVVTO-CQSZACIVSA-N 383.197 3.813 30 40 GHEB C#CCN(Cc1ccco1)C(=O)Cn1c(SC(F)F)nc2ccccc21 60185003 YHYWCEAQGHDBHE-UHFFFAOYSA-N 375.400 3.606 30 40 GHEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)c1 102803513 KCUFOBWRPXXPER-WOOAAIBNSA-N 390.395 3.618 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 59484516 FLZOSLDFLIYARU-NFJKTXFASA-N 385.463 3.564 30 40 GHEB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCCN(c2ccccc2C#N)CC1 52801362 RQUGGYQAUKZIRE-QGZVFWFLSA-N 380.467 3.545 30 40 GHEB COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCCC3)c1OC 3429102 YSOJXEPFYWALIL-UHFFFAOYSA-N 399.516 3.586 30 40 GHEB CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)ccc1O 4162653 GNMWOXVKJGEQCU-YBLIXAOFSA-N 398.440 3.723 30 40 GHEB C=CCNC(=S)N/N=C(\CC(=O)C(F)(F)F)c1ccc2ccccc2c1 5274517 SVDUWJMJGYBGDN-HZHRSRAPSA-N 379.407 3.716 30 40 GHEB CCOc1ccc(S(=O)(=O)N/N=C(\CC)c2ccc(OC(F)F)cc2)cc1 5868302 QXVZAKDGMMHKNL-HEHNFIMWSA-N 398.431 3.779 30 40 GHEB CCc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 5909103 HGXKYDCRBDVJEW-WSDLNYQXSA-N 393.472 3.845 30 40 GHEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 408536669 SKTSXFUTUMSZTJ-OAHLLOKOSA-N 390.226 3.903 30 40 GHEB C#CCOc1ccc(Cl)cc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409140950 HEQCOTICHGMWPW-ATVHPVEESA-N 396.855 3.752 30 40 GHEB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)nc1 32915854 IQKVKBJWMKNRPO-UHFFFAOYSA-N 383.404 3.994 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 16086084 YILQMUAJNWDDKJ-UHFFFAOYSA-N 396.262 3.796 30 40 GHEB CCCCO[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 5584980 CWHAGELDUGBIJJ-MJGOQDMVSA-N 383.400 3.804 30 40 GHEB COc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 20947441 YPNZWRQRFIEJAZ-FQEVSTJZSA-N 381.451 3.918 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1ccccc1Cl 22134175 ZWJAWXZPMDOOJR-HNNXBMFYSA-N 394.862 3.939 30 40 GHEB CN1/C(=C\C(=O)COc2ccc(-c3nnco3)cc2)C(C)(C)c2ccccc21 102956623 NYLAJWBQEYWCIN-NDENLUEZSA-N 375.428 3.996 30 40 GHEB Cc1c(NCc2cn3cc(Br)ccc3n2)cc(C#N)cc1[N+](=O)[O-] 54841396 UTMRMIYPPFYPMU-UHFFFAOYSA-N 386.209 3.797 30 40 GHEB C=CCNc1nnc(S[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)s1 2225341 VDZHEWQJVYSSJT-GFCCVEGCSA-N 394.909 3.522 30 40 GHEB COc1ccc(/C=N/OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 2305033 JKDQHIYZZGIZLV-WSDLNYQXSA-N 383.473 3.886 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc(OC(=O)N(C)C)c3C)C2=O)cc1OC 12872615 JRMUJUADDKGCRD-WQRHYEAKSA-N 383.400 3.689 30 40 GHEB biogenic C=CCn1c(SCC(=O)NCCC#N)nnc1-c1ccc(C(C)(C)C)cc1 5209241 VUWLSNMSEDVYDP-UHFFFAOYSA-N 383.521 3.551 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(Cc4ccccc4)nc3c2[C@@H]1c1ccco1 5349127 ZCBRYRARSRDUFN-LJQANCHMSA-N 386.411 3.695 30 40 GHEB Cc1nnc(SCC#CCOC(=O)c2ccc(Br)cc2)s1 4776300 UDGSCPSIPPVQKX-UHFFFAOYSA-N 383.292 3.562 30 40 GHEB N#Cc1c(-c2cccc(Br)c2)nc(N2CCCCC2)c(C#N)c1N 96336692 JNYCFHFCJDRNHZ-UHFFFAOYSA-N 382.265 3.827 30 40 GHEB N#CC1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 222987225 VUPAVJLDGBTRJS-UHFFFAOYSA-N 377.263 3.805 30 40 GHEB N#CCc1ccnc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 531671377 RELSZFMCIPVBNB-UHFFFAOYSA-N 382.221 3.553 30 40 GHEB CCCN/C(CCC)=C1/C(=O)C[C@H](C[C@H](C)SCC)[C@H](C(=O)OCC)C1=O 254498816 SDEDOURAMKIHON-UJFCQIQXSA-N 397.581 3.909 30 40 GHEB Cc1ccc(/C(=C2/C=CC(=O)C(O)=C2)c2ccccc2S(=O)(=O)O)cc1C 19419057 XMQSKTIWTJMUDY-LTGZKZEYSA-N 382.437 3.933 30 40 GHEB C=CCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 8074732 OZPHWXMTPCSQMV-UHFFFAOYSA-N 399.299 3.639 30 40 GHEB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl 3037118 OLZJWILTGNIQSL-UHFFFAOYSA-N 389.632 3.812 30 40 GHEB CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)NCCC2=CCCCC2)n1 32899297 NAODPMIPPDHMLI-AWEZNQCLSA-N 387.505 3.617 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803497 BPRAOZFDQKEWQJ-GROYHEBESA-N 380.425 3.979 30 40 GHEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(OC)c1 108052967 QTSFFPFURVNEGS-BUVRLJJBSA-N 385.423 3.963 30 40 GHEB N#CCSc1ccccc1NC(=O)CNc1ccc2c(c1)OC(F)(F)O2 12527784 AVHPXNLYFUETLD-UHFFFAOYSA-N 377.372 3.674 30 40 GHEB CC1CCN(Cc2csc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)n2)CC1 12972252 LAFSAWMNSBNZKS-HNNXBMFYSA-N 384.505 3.653 30 40 GHEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 5444196 SZQCNDJUOOVHMM-MRJHHRETSA-N 392.499 3.793 30 40 GHEB O=C(C[C@H]1S/C(=N\N=C2CCCC2)NC1=O)Nc1cc(Cl)ccc1Cl 5447811 VQEBZKZMNCRBJN-CYBMUJFWSA-N 399.303 3.840 30 40 GHEB Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 34372749 NXLHXKQZPMJMPL-SFHVURJKSA-N 389.473 3.502 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C=O)[C@@H]2c2ccc(Br)cc2)cc1 218234443 LXHDBWNEWCSUIY-YESZJQIVSA-N 379.275 3.512 30 40 GHEB N#Cc1ccc(N2CC[C@@H](N3CCCc4cc(OC(F)F)ccc43)C2=O)cc1 84383851 AWIXGHZMSZHQNB-LJQANCHMSA-N 383.398 3.718 30 40 GHEB O=C1CSC(=S)N1/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 5685017 JBLOSQAWFYLMQF-RGVLZGJSSA-N 378.482 3.734 30 40 GHEB COC(=O)[C@H](c1cccc(Br)c1)c1ccc([N+](=O)[O-])c(C#N)c1 169800431 PGHVZJVXPJEJTK-OAHLLOKOSA-N 375.178 3.534 30 40 GHEB N#Cc1ccc(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c(F)c1 2087137389 OIRZTXNEGTUHTC-CRAIPNDOSA-N 390.384 3.822 30 40 GHEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC)c1 21870317 JGIRMQCODRHUAK-UHFFFAOYSA-N 392.908 3.861 30 40 GHEB CCOc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608247 OENGJXLOGXUQQD-HWPZZCPQSA-N 392.381 3.964 30 40 GHEB Nc1c(Br)cc(Br)cc1/C=N/[C@H]1CC[C@H](O)CC1 100070287 PACIGGABLPTEDO-CZBPFNMNSA-N 376.092 3.516 30 40 GHEB in-vitro O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCOCC1 2215908 YTPNWJATNAROOQ-ZDLGFXPLSA-N 389.810 3.633 30 40 GHEB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 12604688 SZIXHBRFOWIKBM-UHFFFAOYSA-N 390.464 3.710 30 40 GHEB C=CCOc1ccc(CN(C)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 12810915 JISPTKAPYXDRPI-GAJHUEQPSA-N 399.535 3.778 30 40 GHEB C=CCSc1nnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1 3406477 LMJLFZAATWXFLV-UHFFFAOYSA-N 377.491 3.547 30 40 GHEB C/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C/c1c[nH]c2ccccc12 14357215 NAYUPGKUTVLEQH-VDKMOMADSA-N 390.468 3.882 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1O)c1c(O)n[nH]c1N2 18196973 LGZNPSPXOMMPHM-QFYYESIMSA-N 379.441 3.841 30 40 GHEB CCOc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c1 9484282 UTDGHXBPGAOJIU-VLIAUNLRSA-N 376.416 3.686 30 40 GHEB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 95364852 ZJQTZAKIMWHFGK-UHFFFAOYSA-N 390.468 3.557 30 40 GHEB C#CCOc1c(CC=C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC 409108292 ZNEZOEVQORIAOY-HYARGMPZSA-N 380.404 3.575 30 40 GHEB C=CCN(Cc1ccc(C(=O)NCCC)cc1)S(=O)(=O)c1ccc(C)cc1 224479124 ZEQADGWYSWVXDB-UHFFFAOYSA-N 386.517 3.512 30 40 GHEB COc1ccc(-c2n[nH]c(/N=C(\O)COc3ccc(C)cc3C)n2)c(OC)c1 58157882 AAYWQIPIMNOFKB-UHFFFAOYSA-N 382.420 3.773 30 40 GHEB N#Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCCCCC2)cc1 57710804 SKZOLTHIWBTQAL-QFIPXVFZSA-N 386.503 3.753 30 40 GHEB N#Cc1cccc(COC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12783521 DXKRCJLFUFNHSC-PJVWNMJMSA-N 392.499 3.809 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cccnc1 8471498 YTBVJSVKEJYDDV-UHFFFAOYSA-N 387.415 3.535 30 40 GHEB C=CCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 3999944 NMEDBLQBRSKUFL-JHUUHBRDSA-N 390.483 3.897 30 40 GHEB biogenic CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCCC[C@@H]1C 5476047 SGRBLLYRTVPNNU-SWLSCSKDSA-N 395.297 3.793 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 6549767 WNCFYNPGPMGOLT-XOBRGWDASA-N 383.521 3.680 30 40 GHEB COc1cc(Cl)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 66202154 BMIMLLYRLJBJLM-CAOOACKPSA-N 380.744 3.620 30 40 GHEB C=CCN(CC=C)C(=O)c1cc(Br)c(O)c(Br)c1 95973885 BQDLTYWYMMPFII-UHFFFAOYSA-N 375.060 3.731 30 40 GHEB N#Cc1ccc(N=c2cnc([C@H]3CCCN3Cc3cc4ccccc4[nH]3)c[nH]2)cn1 585293576 JFAPYQLRSVGIBL-JOCHJYFZSA-N 395.470 3.727 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccccc1 13355476 RTPZTDQQBANDLZ-UHFFFAOYSA-N 394.456 3.560 30 40 GHEB COc1ccc(CN(C(=O)COc2ccc(CC#N)cc2)[C@@H](C)C2CC2)cc1 59010142 YVWVMIHRKKHHGA-KRWDZBQOSA-N 378.472 3.967 30 40 GHEB CCOC(=O)[C@@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 20458516 HDRDSMSOSCFYFX-GFCCVEGCSA-N 387.530 3.713 30 40 GHEB COc1ccc2nc(SCC(=O)N(CCC#N)c3ccccc3OC)[nH]c2c1 4252369 WVMOAFAJKGVRCZ-UHFFFAOYSA-N 396.472 3.619 30 40 GHEB COc1cc(NC(=O)[C@H](C#N)Cc2ccc3[nH]ccc3c2)cc(OC)c1OC 61720979 QQZOYJWNWBWRBM-HNNXBMFYSA-N 379.416 3.515 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nc2sccc2c1=O 12798235 BXQLXPIIBUSXKY-NSHDSACASA-N 389.477 3.902 30 40 GHEB N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7988729 HZQOLTNBYMLUEK-MRXNPFEDSA-N 383.473 3.557 30 40 GHEB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)cc1 409176092 HEUWCRFSQFGPQW-WOJGMQOQSA-N 391.452 3.796 30 40 GHEB COC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1 409098772 PGPICFJTEZKCGK-WSDLNYQXSA-N 393.403 3.630 30 40 GHEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)c1 33027107 DFFCWHZRANWHKA-UHFFFAOYSA-N 379.416 3.839 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2cc1OC 34791604 LXAUKKCKFBKXOZ-UHFFFAOYSA-N 385.489 3.665 30 40 GHEB CC#CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H](NCc2ccccc2)[C@H]1O 257204602 AVLDFNURGUAQHU-UBFVSLLYSA-N 376.544 3.974 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1cccnc1 8471236 GHJUTGZZZGEPNL-BFYDXBDKSA-N 385.537 3.559 30 40 GHEB C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2CCc2ccccc2)C1=O 2095436 UIBZHDCBERELPA-YADHBBJMSA-N 399.494 3.623 30 40 GHEB biogenic Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3C(C)C)C(=O)NC2=S)cc1 100201946 QHORFMDPEIHYQS-QQZPLFJDSA-N 379.485 3.885 30 40 GHEB Cc1ccc(C(=O)Oc2cccc(/C=N/NS(=O)(=O)c3ccccc3)c2)cc1 657359 ZMUGRBGQUAXRFG-PXLXIMEGSA-N 394.452 3.527 30 40 GHEB CCOC(=O)COc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N 659071 KNHBNPUNIZWTCO-UHFFFAOYSA-N 380.322 3.590 30 40 GHEB COC(=O)[C@H]1C(=O)C=C(Nc2cc(OC)ccc2OC)C[C@@H]1c1ccccc1 1080002 WHEMSCCUAMVRDZ-DYESRHJHSA-N 381.428 3.545 30 40 GHEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2C1 1297038 JVYBWGGGAMHSBG-UHFFFAOYSA-N 383.448 3.978 30 40 GHEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 3250588 IYTHLVXVQWTDFU-UHFFFAOYSA-N 384.391 3.585 30 40 GHEB COc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 3430670 GPGXGFGTZXGNME-UHFFFAOYSA-N 382.470 3.963 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc(C)c(C)c2c1=O 3542351 QMTLFUWTGQTECR-GFCCVEGCSA-N 379.551 3.514 30 40 GHEB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)s1)C(=O)NC1(C#N)CCCCC1 5301865 YWOMABOCJZUVLY-GFCCVEGCSA-N 396.896 3.639 30 40 GHEB COc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 6220907 HBJIJLBBXXSEDO-UHFFFAOYSA-N 382.470 3.963 30 40 GHEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccc(C(C)C)cc2)s1 17045149 OVUCNYLFXRDHFX-UHFFFAOYSA-N 383.495 3.512 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 19925614 GEHCJYYGLKHYBD-HXUWFJFHSA-N 378.472 3.525 30 40 GHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1OC)C2=O 20611293 NFWYIHBDNBYGOJ-UNOMPAQXSA-N 383.444 3.867 30 40 GHEB biogenic COc1ccc2c(c1)C(=O)/C(=C\c1cc(Br)c(O)c(OC)c1)CO2 58192163 JYXWCUUCTQXSGI-WZUFQYTHSA-N 391.217 3.831 30 40 GHEB CN(C)S(=O)(=O)c1cc(/N=C/c2cccs2)ccc1N1CCCCC1 100257784 VHHKIHNAGUOQSV-XMHGGMMESA-N 377.535 3.739 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 101317816 BNGCXIRZEOVYLM-QFCPZRJBSA-N 392.842 3.987 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccs1 102505712 HVRYLXPZTPDALH-WOOAAIBNSA-N 398.528 3.902 30 40 GHEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)c1 102735140 ZVVBYNJYZRMWAY-GROYHEBESA-N 396.424 3.679 30 40 GHEB Cc1ccccc1Cn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225870903 YXBYOTKDHCEXHZ-UHFFFAOYSA-N 389.478 3.764 30 40 GHEB C#CCOc1ccc(Br)cc1/C=C1/N=C(c2ccccc2)OC1=O 408816516 LRCVDENZNSFGBW-FOWTUZBSSA-N 382.213 3.806 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1OCc1ccccc1F 409354051 XHCKHGKAOSNTOL-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cc(C)ncc1C#N)CC2 576746830 PMNXBELWRFCDQN-HXUWFJFHSA-N 380.517 3.731 30 40 GHEB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccc(C#N)cc1 11371629 LQDPAAVXWCIAMQ-CQSZACIVSA-N 396.520 3.594 30 40 GHEB C(=N\N1CCN(/N=C\c2ccc3ccccc3n2)CC1)\c1ccc2ccccc2n1 4990767 FNCIOFSXJWDRQN-MFYXSQMNSA-N 394.482 3.769 30 40 GHEB C=CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1nc2c(s1)CCCC2 8267921 OFHMASKNKFVPCC-UHFFFAOYSA-N 394.500 3.724 30 40 GHEB C=C(Cl)C[S@](=O)Cc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 32801309 CQHHLTASQQHPAO-XMMPIXPASA-N 378.906 3.961 30 40 GHEB COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CC2)C4)cc1OC 12442511 AHXNPDDJOKGLEW-JMIUGGIZSA-N 393.439 3.943 30 40 GHEB CCC(=O)Nc1cccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1C 13012002 UATPDXPFFBZUKC-UHFFFAOYSA-N 381.480 3.642 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 9390069 RHRVDUOFJXYEMQ-GFCCVEGCSA-N 399.432 3.752 30 40 GHEB O=S(=O)(O[C@@H]1C[C@H]2O[C@@H]1c1ccccc12)c1ccc(Br)cc1 45070463 XAYUTBUIXNEVPQ-BZUAXINKSA-N 381.247 3.739 30 40 GHEB CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 528966005 UJAYZJKLLPRQOL-AOMKIAJQSA-N 395.434 3.965 30 40 GHEB CSc1ccccc1/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 4678005 CZIHHRTZURFQEL-OEAKJJBVSA-N 393.512 3.973 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccc(O)cc1 1472363 KANAFFAGYLKNGN-MLSMKVKPSA-N 395.484 3.847 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1cccs1 4312370 QLDQRHKFNVONEK-SJCJKPOMSA-N 387.432 3.645 30 40 GHEB C#CCOc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)c1 100763614 PCKZTMGXFAHPAH-WOJBJXKFSA-N 377.484 3.722 30 40 GHEB N#Cc1cccc(OC2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)c1 104982718 SPVTYDCSHCFCCN-UHFFFAOYSA-N 397.382 3.504 30 40 GHEB N#CCCN(C(=O)CN1CCC[C@H]1Cc1ccc(F)cc1)c1ccccc1F 58015424 ZGTOJAQXPZRREJ-IBGZPJMESA-N 383.442 3.919 30 40 GHEB CCOC(=O)c1sc(N/N=C/c2ccc(OC)c(Br)c2)nc1C 4042697 QOXRIJCGPNMBIT-CAOOACKPSA-N 398.282 3.845 30 40 GHEB CC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 6596550 FFNJZZGPBUHMTG-REYLQNMUSA-N 382.445 3.839 30 40 GHEB Oc1ccc(-c2cs/c(=N\C[C@@H]3CCCO3)n2N=C2CCCCC2)c(O)c1 14489814 OVRGXKZKXYCNLL-JHBCHSCWSA-N 387.505 3.876 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)c1c(O)n[nH]c1N2 18196468 QPZZKDHDHLZBSG-ZBEGNZNMSA-N 379.441 3.841 30 40 GHEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SC)nc(=O)c32)c1 5864463 FBDZXOVOGZIYHZ-OAHLLOKOSA-N 397.500 3.701 30 40 GHEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 223725289 YONKQFVEEODZIY-UHFFFAOYSA-N 396.306 3.835 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225106094 PAFQJKCVIVIBFL-UHFFFAOYSA-N 385.844 3.878 30 40 GHEB Cc1cccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(N4CCCCC4)nc(=O)c32)c1 19820030 XDNRTKIHBXNFPP-SFHVURJKSA-N 390.487 3.633 30 40 GHEB CCCCCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21 102499028 FRORGZTWHVJFFL-UHFFFAOYSA-N 380.448 3.720 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)CCSc1ccccc1Cl 3297514 GZEBEMYUFXANDU-UHFFFAOYSA-N 380.878 3.937 30 40 GHEB COC(=O)c1ccccc1-c1ccc(/C=N/NCc2ccc(OC)c(OC)c2)o1 20195906 MVJHDZSPPGDQCA-ZVHZXABRSA-N 394.427 3.874 30 40 GHEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc(O)c2CN1CCCCC1 2326931 BLBHGMICGQGTNT-UNOMPAQXSA-N 380.400 3.903 30 40 GHEB C=C(C)Cn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 13030937 HJJJMUDBLYJXEZ-UHFFFAOYSA-N 379.460 3.602 30 40 GHEB CC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 13787158 RNVXMQQFDFNGJL-UHFFFAOYSA-O 394.882 3.884 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 4427146 JRDUEUYEDZIWHG-MAUKXSAKSA-N 399.468 3.514 30 40 GHEB N#Cc1ccccc1COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8513574 DLTHWAAKMNAELZ-UHFFFAOYSA-N 395.418 3.673 30 40 GHEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7307029 ADAUBYWXBZDHJW-HNNXBMFYSA-N 383.498 3.736 30 40 GHEB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 505941912 FNTWMLUOESUSFD-LXZKKBNFSA-N 395.425 3.671 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 222249518 BNGCXIRZEOVYLM-SHKLBEKASA-N 392.842 3.987 30 40 GHEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(OCC)cc1 224605564 QWMWKJBOIMOCNI-UHFFFAOYSA-N 389.473 3.643 30 40 GHEB CC(C)(C)OC(=O)/N=C(\N=C(/O)OC(C)(C)C)Nc1ccc(C(=O)O)cc1 91244436 HLRWVDNGCCHKSI-UHFFFAOYSA-N 379.413 3.817 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc([N+](=O)[O-])cc1 4820099 UECASUQEZITVEI-KEBDBYFISA-N 380.364 3.752 30 40 GHEB Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)oc2c(Cl)cccc12 11125575 IWUODVVWMZTZKB-BUXKBTBVSA-N 376.840 3.994 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 1103585 BSNVQIHCAHPFQX-HNNXBMFYSA-N 397.481 3.999 30 40 GHEB Cc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C#N)cc2c1 4848884 FWOCZSJBLKSXJJ-UHFFFAOYSA-N 377.425 3.874 30 40 GHEB CN(CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)Cc1ccc2c(c1)OCO2 102138849 QLULEUDZOUQGIP-WSDLNYQXSA-N 378.472 3.728 30 40 GHEB Oc1c(Br)cc(Br)cc1/C=N/Nc1nccs1 4042688 OVSWSIHZHDSZDI-LHHJGKSTSA-N 377.061 3.820 30 40 GHEB COc1cc(OC)cc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 13690850 VJHGJLODSJGSSJ-UHFFFAOYSA-N 393.468 3.544 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 4948037 VKZKQXVJAKJPFL-UHFFFAOYSA-N 394.170 3.569 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1)S(C)(=O)=O 408604026 GTTSXYXCYKORTG-UHFFFAOYSA-N 388.489 3.678 30 40 GHEB O=S(=O)(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 5874072 KGSUNFAHHWXDBH-HYARGMPZSA-N 384.432 3.717 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 5446089 CPXPZUBMBCXFDN-QUCCMNQESA-N 395.430 3.891 30 40 GHEB C#CCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033383 IBGKOUXZSLNHDA-CQSZACIVSA-N 394.272 3.953 30 40 GHEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 20589091 SDKKTGWYFGECRN-WQRHYEAKSA-N 385.847 3.802 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccncc1 8427830 QEGDDRTZIMWFNZ-CQSZACIVSA-N 397.479 3.635 30 40 GHEB COc1ccc(NC(=O)/C(O)=C\C(=O)c2ccc(Br)cc2)cc1 102897406 LCLOZVBXDHNDBP-MHWRWJLKSA-N 376.206 3.721 30 40 GHEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccnc1 8471381 CTAITQIZQXPQLP-UHFFFAOYSA-N 395.488 3.649 30 40 GHEB CCC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2C)S1 5486438 WRRLNSVRUNOECN-FVUPAENESA-N 380.901 3.741 30 40 GHEB CCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 4814190 IFDXGFWVRBGZMY-MRXNPFEDSA-N 399.476 3.956 30 40 GHEB C=CCN1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O 408726228 KGOOAOBSQVKCFF-FOWTUZBSSA-N 396.830 3.567 30 40 GHEB COc1cc2c(cc1/C=N/n1c(-c3ccccc3)nc3ccccc3c1=O)OCO2 33760219 CFLBYKGLFHYNNO-ZMOGYAJESA-N 399.406 3.683 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 5446061 UFHQUTZAFKAWGH-ICSRJNTNSA-N 395.430 3.891 30 40 GHEB C=C(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 16788610 VGUPTGGVRKBUII-UHFFFAOYSA-N 383.452 3.786 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(F)c2)cc1 9013232 VAGMODVMQRSINV-YCRPNKLZSA-N 390.418 3.842 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1C#N 102063917 FRCDGJNESATUON-BMHXQBNDSA-N 381.391 3.534 30 40 GHEB COc1ccc2c(/C=C3\S/C(=N/c4nnc(C)s4)N(C)C3=O)c[nH]c2c1 102743458 TXVVNDRUTVOZGD-RTJHJHGXSA-N 385.474 3.570 30 40 GHEB Cc1ccc(-c2csc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)cc1 23325053 QTUPEABSLWHIFE-UHFFFAOYSA-N 392.484 3.867 30 40 GHEB C=CCNC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F 3050323 UWWBDQLOHHGBAJ-UHFFFAOYSA-N 378.379 3.930 30 40 GHEB C[C@@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1ccccc1C#N 8546722 ORKCUXHBNLQQDU-QGZVFWFLSA-N 391.471 3.728 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)cc1 6552133 CAOBBMAOFMMFRN-UHFFFAOYSA-N 376.437 3.985 30 40 GHEB C=C(Cl)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 6904808 UJRYSJJKNCCBCJ-UHFFFAOYSA-N 399.925 3.756 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 19898796 LTUNAIAXDXGGHY-IBGZPJMESA-N 398.890 3.788 30 40 GHEB COC(=O)c1cccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c1C 408751452 ZPMIOVFVAHQJMO-NHDPSOOVSA-N 380.360 3.791 30 40 GHEB C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)NC2CCCCC2)C=C1C 30881396 HITYGYDXTOPJCR-ZJOUEHCJSA-N 387.568 3.612 30 40 GHEB biogenic,in-vitro CCc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c(C#N)c2c1CCCC2 82086910 YHGDIXVQUZABTL-UHFFFAOYSA-N 395.484 3.854 30 40 GHEB CC(C)Sc1ccc(CC(=O)NCC#CCN2CCc3ccccc3C2)cc1 77197656 BKQSHMJADHGMFZ-UHFFFAOYSA-N 392.568 3.908 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515728 NAJCPNJCFQUMKQ-GUDVDZBRSA-N 375.877 3.826 30 40 GHEB Cc1nc(Cl)nc([C@H](C#N)c2nc3ccccc3n2C)c1Br 5336451 XPXNEBRMYDAMIT-VIFPVBQESA-N 376.645 3.743 30 40 GHEB Oc1ccccc1/C=N\Nc1nnc(N/N=C/c2ccccc2O)c2ccccc12 104079156 QBDZZKQVPWJEMT-NQGGHMMCSA-N 398.426 3.933 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1F 3284253 FFKGRDYHYJJBDA-UHFFFAOYSA-N 393.447 3.873 30 40 GHEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccncc1 5931410 VCJHGHDMRXMNPP-XHDPSFHLSA-N 382.489 3.620 30 40 GHEB Cc1ccc(NC(=O)OC(C)(C)C)c(OCC(=O)NCc2ccc(C#N)cc2)c1 72311143 QEKCEJXLSUHUHT-UHFFFAOYSA-N 395.459 3.909 30 40 GHEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(SC)cc1 224987623 YEDOKOIFZUKJSH-UHFFFAOYSA-N 377.487 3.561 30 40 GHEB CCOc1cc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)ccc1OC 137420839 JRTFWMKBZAANPC-LIJALFLSSA-N 389.502 3.926 30 40 GHEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 257198441 WFZVFCIUAYURKP-SMKRCXACSA-N 388.504 3.962 30 40 GHEB biogenic,in-vitro CC(C)(C)NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576239 XGVHKZFCNJODGD-LURJTMIESA-N 385.173 3.936 30 40 GHEB biogenic COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(Br)cc2)c1 1085217 NUSBROYBLZGBOW-VCHYOVAHSA-N 392.278 3.556 30 40 GHEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 6350255 AKHHPHWSNUYGSL-WSDLNYQXSA-N 395.488 3.724 30 40 GHEB C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C1\CCc2ccccc21 5869568 NVIMTFIPLQEROC-PPHLCTAYSA-N 379.485 3.963 30 40 GHEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3C[C@H](O)C4=C/C(=N/O)CC[C@@H]4[C@@H]3CC[C@@]21CC 1615640049 TUBKSKQGEKSECB-KHQGLXGMSA-N 385.504 3.685 30 40 GHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 20624547 ZWGWLEKZFBFZLT-UNOMPAQXSA-N 381.428 3.637 30 40 GHEB CCOc1ccc(N2C(=O)C[C@H](Sc3nc(C)c(C)c(C)c3C#N)C2=O)cc1 778141 XSONSJBGLFWHLS-SFHVURJKSA-N 395.484 3.701 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1 7504473 FSSPSBAAMBNYMP-KRWDZBQOSA-N 386.473 3.537 30 40 GHEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/n1c(S)nnc1-c1ccccn1 2654684 DSFJYMTWDUVVMU-SRZZPIQSSA-N 395.879 3.659 30 40 GHEB CCc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102497712 PFMUDPMODDBDTL-CGZQDKKZSA-N 397.496 3.911 30 40 GHEB Cc1nc(Cc2ccccc2)sc1/C(O)=N/c1nc(-c2ccccn2)n[nH]1 53527340 LFZSDHHKSMJEIV-UHFFFAOYSA-N 376.445 3.859 30 40 GHEB CN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1cccc(C(=O)O)c1 100927914 VOQRUGXTUITLKO-LBVWADOBSA-N 388.832 3.978 30 40 GHEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1 1243543 GJGJGKARTZLTCJ-ZVHZXABRSA-N 385.423 3.872 30 40 GHEB O=S(=O)(N/N=C1\CCCCc2ccccc21)c1ccc(Br)cc1 102980257 XIQDJMZMLLWAKI-HTXNQAPBSA-N 393.306 3.858 30 40 GHEB N#CCCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1ccccc1 3276371 WBEYRWYNICGHPC-UHFFFAOYSA-N 393.468 3.719 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)c1O 13141325 OXYFKZPOOHHJAD-DUXPYHPUSA-N 377.190 3.788 30 40 GHEB COC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)c1 4047999 SUTZWRXXJREWEB-SSDVNMTOSA-N 393.403 3.630 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 5045155 SZBWMLCHSOKLSC-FQEVSTJZSA-N 395.455 3.537 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 4312038 JRXGVUXHYJFGDC-MRXNPFEDSA-N 375.421 3.502 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 19138248 ZAAZUADPYCWTFD-GOSISDBHSA-N 378.384 3.668 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 4820083 BFRTTZMZQPXGLR-UHFFFAOYSA-N 397.438 3.868 30 40 GHEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)S2)cc1 408764739 SNXSUBXFVUSNOL-LGMDPLHJSA-N 383.473 3.570 30 40 GHEB C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 44948678 QKAYETGHJHLTNO-UHFFFAOYSA-N 380.853 3.529 30 40 GHEB C=CCN(c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1)S(C)(=O)=O 225039312 BLFLTRTWHCYERH-UHFFFAOYSA-N 394.880 3.553 30 40 GHEB C/N=C1\S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)N1C 6502103 JZIPSTWSXZWTJW-WBCKRXDOSA-N 395.484 3.544 30 40 GHEB COc1ccccc1C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N 871348 PUJWFZCGGANWAK-UHFFFAOYSA-N 383.473 3.815 30 40 GHEB CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1 20827830 ZEBRMTVTXWFYBM-UHFFFAOYSA-N 388.515 3.804 30 40 GHEB N#Cc1c(SCC(=O)Nc2cccc(Cl)c2)sc2c(O)cc(=O)[nH]c12 4945436 LJDJONHYBNAERM-UHFFFAOYSA-N 391.861 3.551 30 40 GHEB COC(=O)c1ccccc1/N=C/c1ccc(Sc2nnc(C)[nH]2)c([N+](=O)[O-])c1 6588368 OKKKRKHMWMVTJA-VXLYETTFSA-N 397.416 3.710 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C2=CC[C@H]3C[C@@H]2C3(C)C)nc1 24038393 UKVQWEAYZWLGKF-XJAIPMTRSA-N 376.526 3.502 30 40 GHEB CCOC(=O)CCCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 12322557 GJRQLEJNQBHLEL-UHFFFAOYSA-N 384.432 3.787 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)ccc2c1=O 105872814 WGCWDHCPEJNUCK-FHIRATQRSA-N 383.517 3.800 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(C[C@@H]2CCCO2)c1C 8119067 HBKHIOFRFORXJP-IBGZPJMESA-N 392.503 3.547 30 40 GHEB CN(Cc1cccc(C#N)c1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 47863069 QRWBEERWMCNCCH-UHFFFAOYSA-N 383.757 3.820 30 40 GHEB CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 12797347 HJYOJNXQIIFBOP-UHFFFAOYSA-N 385.489 3.533 30 40 GHEB Cc1ccc2nc3c(c(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c2c1)CCCC3 3535524 JKGSASLZORDQID-QHCPKHFHSA-N 393.487 3.633 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O 4704642 MCVVKYBDKUEFCH-ZDLGFXPLSA-N 384.457 3.912 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])n1ncnc1N2 18197354 COTJCOIZJPLKFQ-BBATYDOGSA-N 393.428 3.664 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 8900820 JRDUEUYEDZIWHG-CRAIPNDOSA-N 399.468 3.514 30 40 GHEB N#CCc1cc2ccccc2nc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 89873032 WRAWAONAAYBNDZ-UHFFFAOYSA-N 388.446 3.839 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 409232227 PEQBRQYDOUWLDI-MHWRWJLKSA-N 384.819 3.880 30 40 GHEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 20611371 UKJAQMZQDMSSSC-YYLUKMIBSA-N 393.439 3.969 30 40 GHEB biogenic N#CCN(Sc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1 6238207 UAVNZODNPDRCIY-UHFFFAOYSA-N 399.453 3.970 30 40 GHEB COc1ccc(CC(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 102344780 XAAOBJYJKYPCLP-KGENOOAVSA-N 379.456 3.662 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(F)c1 4472954 RFWSWBZJKUEAMF-VGLIXDPASA-N 375.400 3.555 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(Cc4ccccc4)nc13)O2 5345677 LEKKIHMRANGPNP-HXUWFJFHSA-N 398.422 3.840 30 40 GHEB COc1ccccc1CN/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 20761843 GYJHSVKDUZIUCA-LPYMAVHISA-N 381.388 3.996 30 40 GHEB Cc1ccc(Cn2nc(C)c(CN(CCC#N)CCCN(C)C)c2Cl)cc1 95997175 BUQNKOGRYXWYRT-UHFFFAOYSA-N 387.959 3.869 30 40 GHEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 408873289 SHIYKXPAFJTTBW-GHXNOFRVSA-N 379.781 3.741 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409044099 AVINJRYKJULNMW-LDADJPATSA-N 394.408 3.843 30 40 GHEB N#Cc1c(OCC(=O)NCc2ccco2)nc(C2CCCCC2)c2c1CCC2 32093975 XFRWJCDAKKNKHQ-UHFFFAOYSA-N 379.460 3.778 30 40 GHEB Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C#N)cc2)c(C)c1 48249706 KROOCHHQSSZVTN-NNWRFLSQSA-N 376.456 3.685 30 40 GHEB Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccccc2)c(N2CCCC2)c1=O 16957272 OQUPRCDCDJVFDC-CCEZHUSRSA-N 385.467 3.944 30 40 GHEB CC(C)CCn1c(=O)c2ccccc2n2c(COc3ccc(C#N)cc3)nnc12 2656148 FNJISJMGTBQAQS-UHFFFAOYSA-N 387.443 3.541 30 40 GHEB C=CC/N=C1/S[C@@H](c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1 102934000 JXKBSMIIYDEHQT-NRTINQSCSA-N 386.498 3.542 30 40 GHEB N#C[C@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(Cl)cc1 3274043 WWZQMNFSEMNSQU-CQSZACIVSA-N 378.240 3.975 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccc1OC 3249428 RAHFUGWOSHVTLK-NKWDDMGQSA-N 395.484 3.842 30 40 GHEB C#CCn1c(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 408566418 GGUJCNPWTLHXLN-UDWIEESQSA-N 377.360 3.845 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccco1)c1ccc(Cl)cc1 6565624 ZXLAEFLFTGZFIN-YOEHRIQHSA-N 387.819 3.690 30 40 GHEB C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NC1(C#N)CCCCC1 9023185 NXINSCRLYBGHNJ-MRXNPFEDSA-N 395.459 3.780 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408935107 GTBJEKDFQGKGBS-AQTBWJFISA-N 376.412 3.535 30 40 GHEB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N(C)CCC#N 72314810 UJHIZYASUAKIEJ-CQSZACIVSA-N 385.489 3.764 30 40 GHEB CCCCCCO[S@](=O)OCCCCOS(=O)(=O)CCCCCC 5524059 DULLGIURNGJYMN-HSZRJFAPSA-N 386.576 3.886 30 40 GHEB COc1ccc([C@@H]2CCCN2C/C(O)=N/c2nnc(C3CC3)s2)cc1OC 19658592 NLDMOPYACGVEKP-AWEZNQCLSA-N 388.493 3.858 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 2463611 TTWYMDVGDMDVDJ-ABAIWWIYSA-N 376.865 3.718 30 40 GHEB O=C(C[C@@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1 16972718 MGHXRNQQRSHYLC-AWEZNQCLSA-N 393.390 3.953 30 40 GHEB COC(=O)c1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 872640 LHFVDBPPQJMGQP-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 101062518 UVQPCBQTNGGDBC-DPEHCCBOSA-N 390.208 3.640 30 40 GHEB O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c(/C=N/n2cnnc2)c1 59488621 GTUAHDWXZBCTJJ-LSHDLFTRSA-N 376.401 3.768 30 40 GHEB Cc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(C(=O)O)cc1 57878137 YBCUDWHNEMDYRE-SFHVURJKSA-N 379.412 3.818 30 40 GHEB C=CCn1c(C)cc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c1C 5156907 PSHOUAXZRKIWRH-UHFFFAOYSA-N 382.489 3.616 30 40 GHEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1 4812597 QNNXJGVOSXPZJY-FUHWJXTLSA-N 391.519 3.922 30 40 GHEB N#Cc1ccc(COC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 7354625 OKHGSGNHJDZGRE-PJVWNMJMSA-N 392.499 3.809 30 40 GHEB Ic1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 408931927 SEBDRWLBCWAHOS-CPNJWEJPSA-N 392.240 3.878 30 40 GHEB C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1OCC 211535214 GTCGGVGFUBBAMC-ZROIWOOFSA-N 394.836 3.660 30 40 GHEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)COC)cc1 225660540 GEVNDJDNWWVQHI-UFYCRDLUSA-N 389.904 3.998 30 40 GHEB C[C@H]1C[C@@H](C)Cc2sc(NC(=O)c3cc(Cn4cccn4)on3)c(C#N)c21 571170381 VZUAAJJOTZUKQJ-NEPJUHHUSA-N 381.461 3.791 30 40 GHEB COCc1cc(C)nc(N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c1C#N 4750654 XTULYHMAZGIYLE-KSEXSDGBSA-N 390.399 3.812 30 40 GHEB N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc(Cl)c(Cl)c1 104296327 UTKNKVOJGQJRON-KSJDGYIASA-N 397.649 3.692 30 40 GHEB N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 27921034 WCZNNHMGWSCZPL-UHFFFAOYSA-N 381.233 3.818 30 40 GHEB C#CCOc1ccc(Br)cc1/C=C1\C(=O)ON=C1c1ccccc1 409083246 VBTXLDSFQDWHIM-VBKFSLOCSA-N 382.213 3.806 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2Cl)c1 6304604 GUISHMWKADCDNK-OAHLLOKOSA-N 378.211 3.868 30 40 GHEB C=CCN(CC=C)C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 17130387 XHLUPVJIGLMKNB-UHFFFAOYSA-N 379.485 3.634 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2 6602237 LZZYKTNRQUYNHJ-UHFFFAOYSA-N 387.534 3.705 30 40 GHEB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1C#N 4949050 KVPJQAJINXOIHI-UHFFFAOYSA-N 398.488 3.685 30 40 GHEB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1F 96002694 FMELMANKPOMQLA-KRWDZBQOSA-N 396.388 3.647 30 40 GHEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(C(F)(F)F)c3)C2=O)cc1 408535715 ONDYVVDHYHZWMF-OAHLLOKOSA-N 389.333 3.615 30 40 GHEB CCOc1ccc(-c2nnc(SCC(=O)N(CC#N)c3ccccc3)o2)cc1 6587141 RBJZTXVGMMSTEO-UHFFFAOYSA-N 394.456 3.784 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@@H](C)C2)n1 225924996 HLTMYLVIWVBGFS-MRXNPFEDSA-N 388.585 3.566 30 40 GHEB C=CCSc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1 224576269 ZBMNCVZJDJSFKU-UHFFFAOYSA-N 382.529 3.727 30 40 GHEB O=S(=O)(c1cc(/C(O)=N/c2ccccc2Cl)ccc1F)N1CCCC1 3022013 LJPGWZZJQNZWPT-UHFFFAOYSA-N 382.844 3.900 30 40 GHEB O=C(O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F 113999444 JNYDOQOWNTURLR-HRFVKAFMSA-N 396.055 3.673 30 40 GHEB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 13996959 MARRREFXKYPRJA-HXUWFJFHSA-N 383.455 3.739 30 40 GHEB C=CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2cc(Cl)ccc21 9872783 WNNUSDDZGBOPEY-OAQYLSRUSA-N 385.847 3.618 30 40 GHEB CCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)/C=C/NCC(F)(F)F 100207291 SBLDXNXDGWMBAL-FYJFLYSWSA-N 398.208 3.950 30 40 GHEB Cc1ccc(C(=O)Cc2nc(C#N)c(C#N)nc2CC(=O)c2ccc(C)cc2)cc1 1588974 JYLQEGMWAIAHJF-UHFFFAOYSA-N 394.434 3.688 30 40 GHEB Cc1ccc(Cl)c2c1NC(=O)/C2=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12 5093632 KMQGTCCMMXWYPB-UHFFFAOYSA-N 391.822 3.545 30 40 GHEB CCOC(=O)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 5238201 CYSADLVZXBOFKS-UHFFFAOYSA-N 391.452 3.778 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C)o1 5564196 LRXLJJGPXRGRIZ-NHFXJNLRSA-N 396.487 3.742 30 40 GHEB C=CCNC(=O)[C@@H](C)OC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 7633053 IDJFVVLAXMXQIU-OAHLLOKOSA-N 391.423 3.616 30 40 GHEB CC[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 9513888 ZWIDDFIUNBUGQT-QFIPXVFZSA-N 390.531 3.969 30 40 GHEB CCC(=O)c1ccc(OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 22975987 KMYGWRDXONSBAL-UHFFFAOYSA-N 389.373 3.845 30 40 GHEB N#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 28323651 ZZBPXIZULGNLMJ-UHFFFAOYSA-N 381.391 3.607 30 40 GHEB COc1cc(N[C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)C2)cc(OC)c1 79111428 MLDLAITXIBILIQ-QGZVFWFLSA-N 380.448 3.684 30 40 GHEB CCCCCCCCn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 97992791 QEHJTJMKVIKHIZ-UHFFFAOYSA-N 394.475 3.968 30 40 GHEB N#C[C@]1(C=O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218588997 NDPOGSSNHYPNBQ-ZACQAIPSSA-N 380.252 3.642 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccncc1 8427829 QEGDDRTZIMWFNZ-AWEZNQCLSA-N 397.479 3.635 30 40 GHEB CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2Cl)CC1 809783 MCNBATLWQXCBJW-UHFFFAOYSA-N 386.858 3.745 30 40 GHEB N#CC1(C#N)C(N)=C(C(=O)O)C2=CCCC[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 1055158 MEZXQYPDQNNHAC-GDBMZVCRSA-N 387.361 3.860 30 40 GHEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCN(C)C)cc1 6782322 VDGDTVXCBXCMDP-LFVOPCPISA-N 398.528 3.855 30 40 GHEB O=C(O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21722506 JRHQAHSZVOLPLR-NRFANRHFSA-N 380.400 3.651 30 40 GHEB Cc1cc([C@@H]2NC[C@@H](C(=O)O)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 408975957 DEEHRXMBTIMBSV-DLBZAZTESA-N 387.530 3.694 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2cc1OC 34791612 BNMUYQFAEJOKIF-UHFFFAOYSA-N 393.468 3.532 30 40 GHEB C/C(=N\OCC(=O)N1CCc2ccccc21)c1nc2ccccc2n1C(F)F 32871412 YHEBLEQBVDFFMN-ZMOGYAJESA-N 384.386 3.761 30 40 GHEB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cc(Cl)ccc1C#N 77200036 MSTKGHATZKEGLL-KRWDZBQOSA-N 387.798 3.655 30 40 GHEB C=CCNc1nnc(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)s1 5754115 GOPCLIHRRMBHCI-SECBINFHSA-N 379.536 3.904 30 40 GHEB C=CCCSc1ncc(C(=O)OC)c(=O)n1-c1ccc(C(F)(F)F)cc1 2087110177 KUEVSDXHWHYWRX-UHFFFAOYSA-N 384.379 3.706 30 40 GHEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)cc1OC 32502139 RYRKAFQPDPGELV-UKWGHVSLSA-N 393.439 3.943 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(Cl)c1 102537235 OUKMMKFUFWIXAI-SELCWUDQSA-N 385.847 3.798 30 40 GHEB O=C(NCc1ccc(/C=N/c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 408877432 VBHYAPYMRBDTEB-WSDLNYQXSA-N 381.819 3.939 30 40 GHEB CN(C)/C=C(\C(=O)c1ccccc1Cl)c1nnnn1-c1ccc(Cl)cc1 4452649 DDJMRKKMELAVHB-RVDMUPIBSA-N 388.258 3.755 30 40 GHEB Cc1csc([C@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCC[C@@H]32)n1 6599500 LGJDYISNVARYCT-NQIIRXRSSA-N 375.501 3.932 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)NCC)S/C1=N\c1cc(Cl)ccc1Cl 18116672 LQBGPZZCIJADRB-BPHPCYGNSA-N 386.304 3.637 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1OC 19853759 HCJFZOYXIBIBSL-QGOAFFKASA-N 388.489 3.740 30 40 GHEB Cc1cc(C#N)cc(C)c1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 72298265 QIOTVVLEQUAFTL-LJQANCHMSA-N 392.455 3.689 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C(=O)NC1=S 409228617 BONUUGWBKSWTEJ-AQTBWJFISA-N 394.521 3.959 30 40 GHEB C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC)CC1 72345266 VMYAQBQIHKJAAF-UHFFFAOYSA-N 391.515 3.612 30 40 GHEB C=CCSc1nnnn1-c1ccc(OC(=O)C(Cl)=C(Cl)Cl)cc1 2144571 BCBVVVSJEXQOHH-UHFFFAOYSA-N 391.667 3.731 30 40 GHEB CC(C)[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 22425951 HOLPCFQQKUWLCH-QFIPXVFZSA-N 376.504 3.783 30 40 GHEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 7175321 FBABNKIEZLYRJK-OAHLLOKOSA-N 397.500 3.610 30 40 GHEB Cc1c([N+](=O)[O-])cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 1965178 BLJYBVWMPBHPAQ-UHFFFAOYSA-N 386.389 3.876 30 40 GHEB COc1ccc(NC(=O)COc2ccc(/C=N/N3CCCCC3)cc2OC)cc1 3328753 LCFBLUQDMGTMMT-HZHRSRAPSA-N 397.475 3.541 30 40 GHEB Cc1oc(NC(=O)COC(=O)c2ccc(SC(F)F)cc2)c(C#N)c1C 10769685 RGPWAAMCGLSGBB-UHFFFAOYSA-N 380.372 3.878 30 40 GHEB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 12755618 UQSTWRLVZWIXRW-HUUCEWRRSA-N 384.505 3.510 30 40 GHEB COc1ccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)c(OC)c1 13726292 UDVQQIJCINDLER-UHFFFAOYSA-N 395.459 3.600 30 40 GHEB N#CCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 6549414 VSIWWLOCWWCPKM-UHFFFAOYSA-N 389.484 3.794 30 40 GHEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1ccc(Cl)cc1Cl 5626213 FVNBBCZSWFKSGW-CNHKJKLMSA-N 379.276 3.635 30 40 GHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)c1C 5935373 QNVWDVQNCBFECY-CSKARUKUSA-N 385.420 3.679 30 40 GHEB Cc1ccc(COc2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 409408533 YFPPXFOMBMKNNX-BLKABHOGSA-N 386.451 3.715 30 40 GHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)C1CC1 12321858 IBRUADSBTLXURE-UHFFFAOYSA-N 376.453 3.611 30 40 GHEB N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1Sc1ncccc1[N+](=O)[O-] 13575689 CSTDCDFIBOIWME-UHFFFAOYSA-N 378.369 3.803 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC2CC2)cc1 32828786 UFBXOKCSNGHMBR-GOSISDBHSA-N 378.457 3.551 30 40 GHEB N#CCCN(C(=O)COC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 10660180 ZKOLTMUDLPPOEE-UHFFFAOYSA-N 392.386 3.788 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102929164 LDBZFJATXOEONS-YDJIHCHBSA-N 388.398 3.843 30 40 GHEB N#CC1(NC(=O)CSc2nnc(Nc3ccccc3F)s2)CCCCC1 3386633 KMQFZSXKXBEXDW-UHFFFAOYSA-N 391.497 3.856 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 3549002 NCXDVKKWGNGXHB-UHFFFAOYSA-N 392.242 3.801 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccc(F)cc1 8378367 VBBWUPZYJNTTKO-CDDKBXLESA-N 395.430 3.840 30 40 GHEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C#N)cc2)n2ncnc2N1 4705307 PZNPVUUBFWSKNJ-SFHVURJKSA-N 390.834 3.731 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(F)cc1)OCCO3 35289043 KBYLZHUHIVGZCJ-UHFFFAOYSA-N 380.400 3.992 30 40 GHEB N#Cc1ccc(OC2CCN(Cc3cnc(O)c4ccccc34)CC2)c(F)c1 1617773071 AOWFUFZHDHMICA-UHFFFAOYSA-N 377.419 3.995 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccc(F)c1 47991979 YTGVZTMCIWIZBH-UHFFFAOYSA-N 383.404 3.994 30 40 GHEB CC(C)(C)Cc1noc2ncc(/C(O)=N/S(=O)(=O)C3CCCCC3)cc12 58081474 XEFGWLUCHCCBGB-UHFFFAOYSA-N 379.482 3.779 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C1=O 5373761 UAEKGQDACOCAPD-XBSWBIMNSA-N 391.514 3.952 30 40 GHEB N#Cc1c(N)nc(Sc2ncccc2[N+](=O)[O-])c(C#N)c1-c1cccs1 13575447 DQNIUXIWWXSJIO-UHFFFAOYSA-N 380.414 3.590 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 1103586 BSNVQIHCAHPFQX-OAHLLOKOSA-N 397.481 3.999 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20502467 RLWFGRFNTJCAKV-XWSJACJDSA-N 393.805 3.518 30 40 GHEB O=c1nc(N/N=C/c2ccccc2[N+](=O)[O-])n(-c2ccccc2)c2ccccc12 6548735 MMAIHWGBFIILMX-HYARGMPZSA-N 385.383 3.740 30 40 GHEB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 649891 RAYKTLDTGAMCMG-SECBINFHSA-N 382.411 3.907 30 40 GHEB Cc1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)s1 42338595 JNOQHBISDWYATJ-VMPITWQZSA-N 379.459 3.576 30 40 GHEB CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1F 23055270 NDGUPADSKCGWDI-UHFFFAOYSA-N 375.444 3.847 30 40 GHEB N#CCCN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1 3219490 TUVLGCSAPGODSA-UHFFFAOYSA-N 398.846 3.793 30 40 GHEB C=CCn1c(C)nnc1SCc1cc2c(cc1Br)OCCO2 12944592 OXEYSKLISFUMLG-UHFFFAOYSA-N 382.283 3.599 30 40 GHEB C=CCn1c(SCN2C(=O)c3ccccc3C2=O)nnc1C1CCCCC1 7006565 VIRFGLXBBUYGDU-UHFFFAOYSA-N 382.489 3.858 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16007378 RLWFGRFNTJCAKV-YDZRNGNQSA-N 393.805 3.518 30 40 GHEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCCOC 219808516 DMIWQEBOWRHHTH-UHFFFAOYSA-N 384.501 3.983 30 40 GHEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccc(C)cc3)n2)o1 223673705 GEVJWLSKUKOBCZ-UHFFFAOYSA-N 394.456 3.502 30 40 GHEB CSc1ccc(Cl)c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1 7984339 PKOBNRLYRYWTSH-LBPRGKRZSA-N 380.878 3.860 30 40 GHEB Cc1cc(C)n2c(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)nnc2n1 32945268 MFPXDYXMHWKRLA-WQRHYEAKSA-N 393.516 3.714 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccs2)cc1 18219436 HBALTVPIPPKPKC-YJYMSZOUSA-N 378.457 3.764 30 40 GHEB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N 7831232 DGFRYVZQFMZPMW-GFCCVEGCSA-N 381.413 3.767 30 40 GHEB N#Cc1c(CCCNc2ncnc3scc(-c4ccc(F)cc4)c23)n[nH]c1N 9512901 ULRUZAUBULXGMZ-UHFFFAOYSA-N 393.451 3.719 30 40 GHEB Cc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22608742 CDCRZEFVPPZHRS-BFUOFWGJSA-N 391.387 3.503 30 40 GHEB C#CCN(C[C@H]1CCCO1)C(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1 72270436 RYBYZVOLGOGJAT-SJORKVTESA-N 384.505 3.726 30 40 GHEB CCOc1ccc(S(=O)(=O)/N=C(\O)C2(c3ccc(F)cc3)CCC2)cc1 48452372 QBGZYWNSWHNQNJ-UHFFFAOYSA-N 377.437 3.992 30 40 GHEB COc1cccc(/C=N/N=C(/N)S)c1OCc1ccc(Br)cc1 6094546 RJYOTDKPYLGTMF-DJKKODMXSA-N 394.294 3.615 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccncc1)n1nc(SCc3ccccc3)nc1N2 16779156 GPWRNEDXUXRODC-IBGZPJMESA-N 389.484 3.987 30 40 GHEB CCN(CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)C/C(O)=N/C(C)C 82086761 PKEBZMOMINOJCJ-FQEVSTJZSA-N 395.503 3.840 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(C)(=O)=O 20049640 BUKQSICUYXXFSQ-KRWDZBQOSA-N 386.517 3.746 30 40 GHEB O=S(=O)(/N=C(/Nc1nc2ccccc2[nH]1)c1ccccc1)c1ccc(F)cc1 12563015 TTWMOGLSSLTSSL-UHFFFAOYSA-N 394.431 3.950 30 40 GHEB N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 2284902 DZFFFHLYULTEES-QGZVFWFLSA-N 377.492 3.676 30 40 GHEB CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 408708709 LFOKYYGYBWFEEU-UHFFFAOYSA-N 387.524 3.774 30 40 GHEB N#C[C@]1(F)CCN(C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)C1 615591794 KMDNOIBKSIJASW-OAQYLSRUSA-N 387.405 3.766 30 40 GHEB CC1(C)OB(c2c(F)cc(Br)cc2Br)OC1(C)C 642814724 UBSYNNGKKUAXKI-UHFFFAOYSA-N 379.860 3.650 30 40 GHEB CO[C@H]1CCN(c2ccc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)C1 206768055 LMXLQPKISBPJKD-QFIPXVFZSA-N 389.499 3.609 30 40 GHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 29225141 GOCIFEVWUSSTIR-UHFFFAOYSA-N 376.382 3.765 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 102801172 KYCDPNWRRZWGBT-LFVOPCPISA-N 383.419 3.592 30 40 GHEB COc1ccc(CNC(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1 12250992 ARWKZLOOOGISLS-UHFFFAOYSA-N 379.441 3.630 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2C)n(C2CCCC2)c1C 12473888 KBLIEMFPXBNAIH-UHFFFAOYSA-N 398.536 3.828 30 40 GHEB COC(=O)c1ccc([C@@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 36000001 TTYFPQQXVOHDAF-YPAWHYETSA-N 397.434 3.589 30 40 GHEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(N(C)C)cc1 408961168 BBBHUZBDAWDCDF-JWZKOSBISA-N 398.444 3.600 30 40 GHEB COc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(C)c(C)c2)N(C)C1=O 4680950 SFUURQLTRUCUBL-UGNPLGLKSA-N 397.500 3.902 30 40 GHEB CC(C)CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 5858749 MSOWVDMXMXMTKT-INIZCTEOSA-N 396.516 3.868 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S 19877897 OIGGOLINSAQLFP-YVLHZVERSA-N 399.903 3.560 30 40 GHEB COc1cc(OC)c(/C=N/OCc2ccccc2C#N)cc1Br 408595080 VOCHKTCJTKOUSK-KEBDBYFISA-N 375.222 3.889 30 40 GHEB C=CCN1CCN(C(=O)CC(C)C)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351757 DDOUWNJDFOQTOG-QFIPXVFZSA-N 391.515 3.563 30 40 GHEB C=CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O 39556643 HXYSUKDMFOHYQA-FYJGNVAPSA-N 396.450 3.948 30 40 GHEB CN(CC1CCN(c2ccc(C#N)cn2)CC1)c1cc(C(F)(F)F)ccn1 1888906225 LEENFEYURIGQPJ-UHFFFAOYSA-N 375.398 3.720 30 40 GHEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 32905244 BDZXGZYQBXBJCP-QGZVFWFLSA-N 390.464 3.728 30 40 GHEB C=CCc1cc(/C=N/c2ccc(C(=O)O)cc2C)cc(OC)c1OCC(=O)O 59249195 NKTCUFOXJIZDKX-SSDVNMTOSA-N 383.400 3.644 30 40 GHEB C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 100975550 ISDOPGIWFLNRHI-LAZURVMCSA-N 386.907 3.615 30 40 GHEB CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58265034 PHEAYOPCYVVNHQ-QFIPXVFZSA-N 376.504 3.612 30 40 GHEB CC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 13690112 BRRNRFMZUXEAFC-UHFFFAOYSA-N 375.453 3.729 30 40 GHEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1 4544555 VLTPJNKZNYIOKY-XYOKQWHBSA-N 379.235 3.942 30 40 GHEB Cc1c(NC(=O)N(CCC#N)CCCN(C)C)cccc1OCC(F)(F)F 79021155 WANBUJURJAHBPZ-UHFFFAOYSA-N 386.418 3.635 30 40 GHEB COc1cccc([C@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)c1OC 20150183 YPJUWVZRCKVXOR-LLVKDONJSA-N 394.456 3.550 30 40 GHEB CCN(CC)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409232542 QUZKWYMSMZVFMQ-JJIBRWJFSA-N 395.503 3.521 30 40 GHEB COc1ccc(/C(O)=N/S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 95352913 ZQLKMIYGPUXCBK-UHFFFAOYSA-N 390.244 3.704 30 40 GHEB C=CCNC(=S)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2C 12323681 PTJNDILFYWLQKU-UHFFFAOYSA-N 398.561 3.745 30 40 GHEB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C1 4280348 RFRZUIMSZBJEDI-CMDGGOBGSA-N 381.457 3.786 30 40 GHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)O1 102970759 QFNSZRXIILIRGB-GNNUASRNSA-N 398.418 3.768 30 40 GHEB CCOC(=O)c1ccccc1/N=C(\S)N1CCC(N2CCCCC2)CC1 8682584 OYEVYEBTDXZYBT-UHFFFAOYSA-N 375.538 3.731 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 6407346 WTJFPNTXNQOZPY-FQEVSTJZSA-N 395.455 3.618 30 40 GHEB C=CCOc1ccc(CN(C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 7266526 NWMJXKMQBRQNBX-INIZCTEOSA-N 384.476 3.686 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)NC1=S 408902369 HYLRCFVOYAWRTH-LDADJPATSA-N 393.512 3.524 30 40 GHEB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccccc1OCC#N 96193289 PMVUVFOJPYVWTR-GDNBJRDFSA-N 395.802 3.747 30 40 GHEB CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C(=O)OC)cc1 4664406 PHIIFJOOLYBSLN-MSYUKONTSA-N 382.441 3.803 30 40 GHEB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1/N=C/c1ccc(O)c(O)c1 102719631 JRLUXEYEFADCQX-GYDKFZLSSA-N 392.440 3.817 30 40 GHEB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC#N 409204617 BQPUHLKQILPDTP-BOPFTXTBSA-N 399.497 3.553 30 40 GHEB COc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1 408962372 HVEKPGMNRSJJFK-MVSXMAMESA-N 385.401 3.543 30 40 GHEB CCOC(=O)N1C/C(=C/c2cccc(C#N)c2)C(=O)/C(=C/c2cccc(C#N)c2)C1 12799211 GRMGPRGEKXQNCP-ZCJKAFFOSA-N 397.434 3.938 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nc2ccccc2c1=O 3477992 BDNHTNIXFNDKHL-UHFFFAOYSA-N 395.484 3.712 30 40 GHEB COc1c2c(cc3c1C(C(=O)c1c[nH]c4ccccc14)=CN(C)CC3)OCO2 49543162 HFMIDUKHGJFYGS-UHFFFAOYSA-N 376.412 3.617 30 40 GHEB biogenic Cc1cc2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2c2ccccc12 5885920 SSEOWKCRWOXCDF-JLTOFOAXSA-N 381.505 3.726 30 40 GHEB CC(C)n1cc(C(=O)c2ccccc2OCc2ccc(C#N)cc2)cc(C#N)c1=O 5977402 FWIMZVKHNATWOL-UHFFFAOYSA-N 397.434 3.983 30 40 GHEB COc1ccc(OCc2nc(SCc3ccccc3)nc(N)c2C#N)cc1 223694725 NNFMSAQSURVFOQ-UHFFFAOYSA-N 378.457 3.810 30 40 GHEB CC1(C)CN(c2ccc(C#N)c(N)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 582855904 GERMLNBPKBKQOP-OAHLLOKOSA-N 376.382 3.911 30 40 GHEB N#Cc1ccc(N=c2cnc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)c[nH]2)cn1 585294043 MZELSXLVWDWVQY-JOCHJYFZSA-N 395.470 3.727 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@H](C)CC2=O)N1 5433035 WDMDPAHLJCZPAM-YUNKPMOVSA-N 379.485 3.996 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](C)CC2=O)N1 18067323 VUYMYSMXORJRCB-YEJXKQKISA-N 389.455 3.640 30 40 GHEB Cc1cc(OCC2CCN(c3ncc(Br)cc3C#N)CC2)ccn1 1889114171 OUOKTXCYKPKXAY-UHFFFAOYSA-N 387.281 3.715 30 40 GHEB C=CCNC(=O)c1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1 50334922 NZEWSSJEBXUTNE-UHFFFAOYSA-N 380.835 3.694 30 40 GHEB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccccc2C#N)n1 6464164 VXFBFICBPQXKKI-UHFFFAOYSA-N 399.863 3.736 30 40 GHEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OCC)c(OCC)c2)c1 7360695 FEWJBJKUPKGDCP-UHFFFAOYSA-N 377.462 3.850 30 40 GHEB Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2-c2ccccc2)cc1 2662846 NIVYVSMEIFYORZ-UHFFFAOYSA-N 391.500 3.707 30 40 GHEB C[C@]12Cc3c(nc(O)c(C#N)c3C#N)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 9043906 RONRYQJFHZPPMI-YYTUKFTPSA-N 391.515 3.849 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 102295661 UKKUHNOVVHRCKS-LSDHQDQOSA-N 378.453 3.561 30 40 GHEB CNC(=S)N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 980729 OGLQRQKNTUIMIQ-GIJQJNRQSA-N 380.882 3.827 30 40 GHEB CCN(C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1)c1ccccc1 58018591 WNIOLEMQLLWGIE-UHFFFAOYSA-N 378.432 3.736 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 10970385 VPPJYEJYCGEWKQ-UHFFFAOYSA-N 390.468 3.771 30 40 GHEB C[C@@H](Oc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O)C(=O)O 68736428 NPVAOXSGEDEGJQ-LYQMGENXSA-N 389.201 3.917 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC 19202041 OEFZXCXADXDMLT-HXUWFJFHSA-N 399.487 3.871 30 40 GHEB COc1ccc(Oc2ncccc2NC(=O)N(CCC#N)CCCN(C)C)cc1 72311310 BCPFETITELNQFU-UHFFFAOYSA-N 397.479 3.582 30 40 GHEB CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1C#N 95446554 QHXROPHZBTVBNV-SFHVURJKSA-N 383.423 3.772 30 40 GHEB C/N=C1/S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C(=O)N1C 408849166 YBSIHEGIYPXHGS-OADBCFLWSA-N 386.448 3.945 30 40 GHEB COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)c1 409305147 LXDQHEANHYSETJ-UHFFFAOYSA-N 386.249 3.667 30 40 GHEB CCOC(=O)/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C1\NC(C)(C)Cc2ccccc21 100504308 CWSYBCRTIUDMHO-HNENSFHCSA-N 394.427 3.676 30 40 GHEB CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)S/C1=N/c1ccccc1 100297917 BMJLRCIUANXUGE-LXBJNYIASA-N 383.473 3.740 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 102798578 XOYOQMQZCWWGJI-YDJIHCHBSA-N 379.456 3.762 30 40 GHEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 34009947 UCLVTARKINLGLA-GSLJADNHSA-N 388.504 3.992 30 40 GHEB N#Cc1ccc(F)c(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 26608874 XTFYWALKGHNCRU-UHFFFAOYSA-N 391.368 3.674 30 40 GHEB C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(-c2cccnc2)n1 58224038 JZTWXBXNHFOHOZ-UHFFFAOYSA-N 379.485 3.971 30 40 GHEB CN(C)[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccco1 27988554 OEUAPDDXQUKUCF-NSHDSACASA-N 391.225 3.877 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Br)c(OC)cc2OC)C(=O)N1CC 408856994 KERFKQSFGFHWIC-ABTZFFQLSA-N 399.310 3.778 30 40 GHEB C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CCOc1ccc(Cl)cc1 8532489 JEPYXVPYNMKHQG-INIZCTEOSA-N 377.916 3.724 30 40 GHEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCc4ccccc4C3)C(=O)O[C@@H]1C2 4028450 QRQMVOJVQOCKSG-FWDUKEBRSA-N 381.516 3.572 30 40 GHEB biogenic O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(N2CCOCC2)o1 409014503 PWHZKOMWPVUVES-PTNGSMBKSA-N 389.864 3.661 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C)cc1 6785292 NKQQZEZZBUQPIN-WOOAAIBNSA-N 398.528 3.820 30 40 GHEB C=CCn1c(SCC(=O)NC[C@@H](C)c2ccccc2)nnc1-c1ccncc1 6907652 NJAARAMFCUOSDM-MRXNPFEDSA-N 393.516 3.538 30 40 GHEB Cc1nc(SCc2nc(N)nc(Nc3ccccc3)n2)c(C#N)c(C)c1C 7372695 TWAFLDGCCMNXRN-UHFFFAOYSA-N 377.477 3.682 30 40 GHEB C#CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1 72270434 RYBYZVOLGOGJAT-IRXDYDNUSA-N 384.505 3.726 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OC)c1O 409232041 MRVFNMVKBRAAKX-WOJGMQOQSA-N 378.428 3.531 30 40 GHEB C=CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 44900019 QUMLRYYSVZGMCR-UHFFFAOYSA-N 380.853 3.529 30 40 GHEB CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 4585750 QOTPIGZJHKKKFE-UHFFFAOYSA-N 388.514 3.935 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 2801300 XBBLNGSYLPHFPS-HXUWFJFHSA-N 385.460 3.712 30 40 GHEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 105544437 BVKBMUWTEMZLNR-RWMBFGLXSA-N 394.397 3.697 30 40 GHEB Cc1nc(C)c(C#N)c(SCC(=O)N(C)Cc2c(F)cccc2Cl)n1 12867547 TWNWALZDEMJXOP-UHFFFAOYSA-N 378.860 3.508 30 40 GHEB C/C(=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)C1CCCCC1 4689525 BBXMAEBEBIBRPX-GGNAWJQTSA-N 390.484 3.698 30 40 GHEB C=CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 4681076 NAIPOCMLTCVQEY-HXUWFJFHSA-N 387.443 3.771 30 40 GHEB C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1OC 8869657 YVABMNCTUVWZIX-FQEVSTJZSA-N 391.423 3.850 30 40 GHEB COc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)ccc1O 408753965 SCUPFESMOOSWCR-CXUHLZMHSA-N 385.401 3.509 30 40 GHEB N#C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9404396 FDXIYHRAXMPHMK-RCCKNPSSSA-N 394.372 3.966 30 40 GHEB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Cc1ccc(OCC#N)cc1 95451261 UEULTSGDMVKZLV-OAQYLSRUSA-N 380.488 3.740 30 40 GHEB COC(=O)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408905541 YYWKXDBCVQWXHM-RQZCQDPDSA-N 381.169 3.534 30 40 GHEB COc1cc2c(cc1/C=C1/SC(=Nc3cccc(C)c3C)NC1=O)OCO2 409103831 ZEWOGJBEBMLIEG-QGMBQPNBSA-N 382.441 3.932 30 40 GHEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)cc1C 33027105 CJBAJQWVROPCPK-UHFFFAOYSA-N 379.416 3.839 30 40 GHEB CN1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 408581164 GYONLPILFSIENE-UHFFFAOYSA-N 377.922 3.992 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1F 2621503 HPAMYTBZRQHAPK-UHFFFAOYSA-N 393.447 3.873 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6420663 YJSASKFIJNBYRF-LJQANCHMSA-N 390.395 3.775 30 40 GHEB Cc1nnc(Sc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)c(C#N)c1C 12528026 RKYBDVLNEJCJON-MRVPVSSYSA-N 382.518 3.828 30 40 GHEB COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C#N)cc1 58214257 SUCDBKFGVADEQI-INIZCTEOSA-N 377.227 3.851 30 40 GHEB C=CCN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 12796048 XJEFELQFTFZPDW-UHFFFAOYSA-N 396.871 3.814 30 40 GHEB COc1cc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc(OC)c1OC 12858145 OFBJXDSKTCUORF-IUXPMGMMSA-N 398.411 3.890 30 40 GHEB biogenic C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408802873 IPLPYOXCYRCYBJ-NTCAYCPXSA-N 382.803 3.571 30 40 GHEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 6647641 FPMKVTWFSPWOMI-OAQYLSRUSA-N 390.830 3.727 30 40 GHEB CC[C@@H](C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4738593 DBOKWBDQKRVFRX-KOOYPKMISA-N 393.443 3.810 30 40 GHEB COc1ccc(C[C@@H]2S/C(=N\N=C(\C)c3ccc(Cl)cc3)NC2=O)cc1 18209399 ZDVUJQLOGKMRJM-SLCIXIPPSA-N 387.892 3.903 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])cc1OC 7717230 MCWXHYHATLHGNQ-GQCTYLIASA-N 385.372 3.669 30 40 GHEB Cc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(C)c1 33396030 XGOYGPFAVUMFIH-KQWNVCNZSA-N 393.539 3.915 30 40 GHEB N#Cc1ccc(CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1F 582652656 GDHLRXDCPUKPFM-HXUWFJFHSA-N 379.435 3.761 30 40 GHEB NC(=S)N/N=C\c1nccc2c(C(F)(F)C(F)(F)C(F)(F)F)cccc12 5203024 IYJACKLHQZCAOV-UMDHDWCXSA-N 398.307 3.691 30 40 GHEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 5931331 ZGOMWVPFIFNXRE-IAQYHMDHSA-N 382.489 3.620 30 40 GHEB CS(=O)(=O)c1cccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 14905755 XDXKVWKQFOOTET-UHFFFAOYSA-N 377.421 3.848 30 40 GHEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3ccccc3F)CCCCC2)cn1 12144113 NEWIWVQOFZTYJO-UHFFFAOYSA-N 379.435 3.664 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 13716686 KYQNGZIWOODROD-UHFFFAOYSA-N 375.453 3.731 30 40 GHEB CC(C)(O)C#Cc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1 100763726 OEMIUYBQDQEKRL-DHIUTWEWSA-N 393.502 3.963 30 40 GHEB COc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608748 PAGITFBEFQFJOD-JLTOFOAXSA-N 376.416 3.604 30 40 GHEB C=CCn1c(S)nc2cc(C(=O)NC3(c4ccccc4)CCC3)ccc2c1=O 41842977 YEACTHMLAHDQTI-UHFFFAOYSA-N 391.496 3.680 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccs2)cc1 18219430 HBALTVPIPPKPKC-ORAYPTAESA-N 378.457 3.764 30 40 GHEB N/C(=N/OCc1ncn(-c2ccccc2)n1)c1ccccc1OCc1ccccc1 95457544 IRYQMRGRQAUSOL-UHFFFAOYSA-N 399.454 3.683 30 40 GHEB C#CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408775486 HQKNVHBPVFXBFK-PZHBDVNGSA-N 394.496 3.869 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1 409282995 ICKJPUZBSJEELO-UHFFFAOYSA-N 386.249 3.612 30 40 GHEB CC(=O)N[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)c1ccc(Cl)cc1 32898901 KSYHJNLUPRSAFV-IBGZPJMESA-N 395.846 3.775 30 40 GHEB N#Cc1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl 1004671 CTKATVKDJRHPED-UHFFFAOYSA-N 380.256 3.757 30 40 GHEB CCOC(=O)c1ccc2nc(N/C=C3\C(=O)Oc4ccccc4C3=O)sc2c1 44827560 HKGHVNCOEOFIFP-RAXLEYEMSA-N 394.408 3.571 30 40 GHEB Cc1cccc(S(=O)(=O)Nc2[nH]nc(Nc3ccc(F)c(C)c3)c2C#N)c1 3997660 ZZICRPDLMRBDCD-UHFFFAOYSA-N 385.424 3.582 30 40 GHEB N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccccc1)N1CCOCC1 27748711 LFUPSHOGACWRND-QGZVFWFLSA-N 380.473 3.760 30 40 GHEB CCc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408743674 WYRVOCHTMIIORO-BTZNOAQDSA-N 385.876 3.669 30 40 GHEB N#Cc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCSC2)c1 71775276 UQQXUUROEPDBBK-UHFFFAOYSA-N 399.472 3.589 30 40 GHEB C=CCc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OCC(=O)O 408859975 WJZUMMFXXGWCLX-NHDPSOOVSA-N 384.388 3.854 30 40 GHEB CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 33702392 OWLBVMHOAJUECR-VXLYETTFSA-N 379.327 3.675 30 40 GHEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1cccc2ccccc12 33039560 QOVJSXOYYITZMU-INIZCTEOSA-N 386.455 3.609 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1OC 12345247 DVZRVENLHWSKQL-QRQCMCJISA-N 395.474 3.861 30 40 GHEB C[C@H](Oc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1)C(=O)O 13078273 NVNTYZUKQMMXBA-YGOPWGPOSA-N 388.803 3.859 30 40 GHEB COc1cccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)c1 871463 JFFAETCRSNPKBK-UHFFFAOYSA-N 383.473 3.815 30 40 GHEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)O)n2)cc1OC 4075023 XIDGMHKEUAJYRQ-UHFFFAOYSA-N 398.362 3.833 30 40 GHEB COc1ccccc1[C@@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1c1ccccn1 102858651 FPTRVBCZHXFQAF-SELCWUDQSA-N 392.436 3.778 30 40 GHEB CCCCCCCCCCCCOC[C@H](O)Cn1cnc2c(N)ncnc21 104233784 NAMXINPSVKQBNM-QGZVFWFLSA-N 377.533 3.707 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])n1ncnc1N2 18197355 COTJCOIZJPLKFQ-ADLMAVQZSA-N 393.428 3.664 30 40 GHEB N/C(=N\OC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1cccc(Br)c1 8986408 KTHBXOVWKFZTNS-ZIAGYGMSSA-N 377.213 3.555 30 40 GHEB COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(OC)c1 20060623 KLHQSMWAISJAOJ-LPYMAVHISA-N 397.456 3.650 30 40 GHEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 13640582 BVKBMUWTEMZLNR-YNEHKIRRSA-N 394.397 3.697 30 40 GHEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)CC1 20649541 LJIBQJQMFNKHNC-BKUYFWCQSA-N 390.439 3.502 30 40 GHEB Cc1cc2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2c2ccccc12 5885906 SSEOWKCRWOXCDF-VBKZILBWSA-N 381.505 3.726 30 40 GHEB Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3cccc([N+](=O)[O-])c3)ncn2)n1 4952797 IKLJQWYHFAXDLA-ZMOGYAJESA-N 399.414 3.992 30 40 GHEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(OCC)c2)cc1 7360716 SVSTZEPKXNBNCT-UHFFFAOYSA-N 377.462 3.850 30 40 GHEB CNC(=S)N(C)/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59461401 UMJSZMAEAAFKFH-GFMRDNFCSA-N 388.496 3.527 30 40 GHEB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1 20196996 WCDATOPSQJTQMP-UHFFFAOYSA-N 394.456 3.868 30 40 GHEB O=C1C(Cl)=C(N2CCN(c3cccc(Cl)c3)CC2)C(=O)c2ccccc21 976718 HUKWONZDEMSPMV-UHFFFAOYSA-N 387.266 3.992 30 40 GHEB Cc1cccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]2C)c1 12632554 FDSDKNKJJSTJMP-MRXNPFEDSA-N 382.895 3.669 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)c(OC)c1 2361302 OIFAFPJRNRZXHY-PYUKZKILSA-N 383.473 3.558 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3cccc(C)c3C)c3n2CCC3)cc1 13777618 CSMGCEBUNACRCU-UHFFFAOYSA-O 376.480 3.653 30 40 GHEB C=C(C)CN(CC)C(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O 14199431 OADKJFVMWFNQKN-UHFFFAOYSA-N 397.500 3.558 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccccc2)C1=O 409005523 FMUZMSCPMHXMAK-LGMDPLHJSA-N 393.464 3.857 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1O 408599662 IYIGIGSGOMICFF-OAHLLOKOSA-N 394.500 3.806 30 40 GHEB CCOC(=O)Cn1nc(C)c(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1C 95452290 AHKQMLKRKMYKPT-CMDGGOBGSA-N 380.366 3.978 30 40 GHEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCN(CCc2ccccn2)CC1 96345986 KNDZVZRGLBDYCA-RTWAWAEBSA-N 399.498 3.577 30 40 GHEB N#Cc1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1Cl 1124359848 WAYDMZVVRNOXCS-WOVMCDHWSA-N 383.835 3.855 30 40 GHEB C[C@@H](CCc1ccco1)NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 12866416 SSCYZNWHTIRQSX-ALEWCRNBSA-N 387.520 3.717 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(C)cc3)ccc21 8958810 ODEBDTMJTXGFCP-UHFFFAOYSA-N 394.471 3.950 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)sc2c1CCC2 3294686 JTOFPBPLRVGCSL-UHFFFAOYSA-N 392.383 3.505 30 40 GHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1OC 100765498 DVZRVENLHWSKQL-RTBURBONSA-N 395.474 3.861 30 40 GHEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1C 59223957 YBLUPAXDJGGTKS-IDUWFGFVSA-N 397.412 3.832 30 40 GHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 101531900 SPMWZHUEFIOXMC-RVDMUPIBSA-N 382.397 3.748 30 40 GHEB CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccc(OC)cc2)cc1)C(F)(F)F 2300560 PPTGUPXOIMLBCI-BYWZACNXSA-N 381.350 3.759 30 40 GHEB C=CCn1c(SCC(=O)NC2CC2)nc2scc(-c3ccccc3)c2c1=O 3267123 NLHDTJUKWGLIEN-UHFFFAOYSA-N 397.525 3.682 30 40 GHEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(F)cc1 13403490 JKBHHRRTFMRYHD-BWORXHKJSA-N 389.427 3.945 30 40 GHEB COc1cc(OC[C@H]2CO2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 4040114 JDBIQBWDWQLNIH-NZGQLZKDSA-N 388.460 3.955 30 40 GHEB C=CCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(CC)cc2)S1 5234040 CMGHXLSERZOYNP-VRMLFSPKSA-N 393.512 3.978 30 40 GHEB C=CCN1C(=O)[C@H](Cc2ccc(OCC)cc2)S/C1=N/N=C/c1ccco1 5214317 PEMNQLQHGZKTGZ-FOWJPOPOSA-N 383.473 3.741 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 17138368 YIMFZMAWOPBJJJ-FQEVSTJZSA-N 385.423 3.564 30 40 GHEB Nc1nc(N2CCCCC2)nc2c1[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 20673729 XNPOIYSLSGGTNU-KRWDZBQOSA-N 393.466 3.753 30 40 GHEB CSc1nc(C)c(C(=O)c2sc3nc(C)c(C(C)=O)cc3c2N)cc1C#N 89536673 MYVOPFXRNYUMMB-UHFFFAOYSA-N 396.497 3.918 30 40 GHEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccccc1Cl 409407132 LBCBPAGKLGTRRX-HZVDNRATSA-N 393.874 3.889 30 40 GHEB COc1ccc(/C=N/n2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1 826590 VETUWBPRIQCUED-ZVBGSRNCSA-N 397.232 3.531 30 40 GHEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1O 16688229 WXYSMOXLOZVARV-JYRVWZFOSA-N 388.217 3.898 30 40 GHEB CCCCC(=O)Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N/O)C(=O)N2 1775953416 QSDUMEKQISKWQM-PMBVCKSESA-N 376.416 3.783 30 40 GHEB O=C1N[C@H](c2ccc(Br)cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O 100455399 SOSFTOLFUHRDOD-SXWSKBOKSA-N 392.636 3.812 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC)c(O)c1 12111582 GNHXMSVHATWFPQ-FQEVSTJZSA-N 391.423 3.937 30 40 GHEB C=CCn1c(S)nnc1-c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3052081 KQMJNQNYEGJLBG-UHFFFAOYSA-N 392.406 3.649 30 40 GHEB C=CCN(C(=O)c1ccc(=O)n(CCC)n1)c1nc(-c2ccccc2)cs1 23688421 ZIKCIFVECYJNBO-UHFFFAOYSA-N 380.473 3.610 30 40 GHEB C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccccc1 3485331 GOFXYWHFKLXVGX-UHFFFAOYSA-N 390.512 3.808 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccnc1 6240954 KKUJOGAINKYCFV-SFHVURJKSA-N 386.455 3.761 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2sccc2-n2cccc2)sc2c1CCC2 14244443 SSAOGVACZJFMES-UHFFFAOYSA-N 397.481 3.756 30 40 GHEB Cc1cc(C)cc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408742879 TWLAMSPZZPDIQV-PPAWOMOGSA-N 385.876 3.723 30 40 GHEB C#CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408572635 RNVPSVXHNWNHBE-IBGZPJMESA-N 394.456 3.698 30 40 GHEB C=CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ncccn1 20729655 DKMHXEKXVCJDGH-GOSISDBHSA-N 393.472 3.960 30 40 GHEB C=CCOC(=O)COc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 4340616 YECYDKJVCGHURM-UHFFFAOYSA-N 380.396 3.885 30 40 GHEB biogenic CCOc1cc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)ccc1O 136296446 RTNQICFWOLIDQP-FOCIWHPXSA-N 375.475 3.623 30 40 GHEB O/C(Cn1ccc2c(Br)cccc21)=N\c1nc([C@H]2CCCO2)n[nH]1 95477402 LEHQQBWQMFYLSC-CYBMUJFWSA-N 390.241 3.662 30 40 GHEB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 69023841 CUROZEOHDPQVCC-KRWDZBQOSA-N 392.488 3.929 30 40 GHEB CC(C)(C)/N=C1\[C@H](N2CCOCC2)C2(CCCCC2)C(=O)N1c1ccccc1 101377367 QYEIKSLXJLIKLP-YVTHNELYSA-N 383.536 3.882 30 40 GHEB C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccccc1C 6025407 XVFUHUBJXYEMLX-UHFFFAOYSA-N 389.484 3.968 30 40 GHEB Cc1noc(C)c1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8536035 IIQBSGPGTCRBRS-VAWYXSNFSA-N 388.489 3.752 30 40 GHEB CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C)N(C)C2=O)cc1 103713629 ZDNWJJPQMXZAFR-GLEDVZQVSA-N 397.500 3.984 30 40 GHEB N#Cc1cc2c(nc1S[C@@H]1CC(=O)N(c3ccccc3)C1=O)CCCCC2 868655 PUKQXAICJCERSH-GOSISDBHSA-N 377.469 3.646 30 40 GHEB C=CCn1c(SCc2ncc(Cl)n2C)nnc1-c1ccccc1OC 18032424 AMTHCLOOXPJIJF-UHFFFAOYSA-N 375.885 3.819 30 40 GHEB CCOC(=O)c1ccc(N/N=C2/C(=N)N(C)N=C2c2ccc(Cl)cc2)cc1 4478201 UNTMDMSILUGYRV-WDJKLLJXSA-N 383.839 3.612 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3OC)OCO4)S2)cc1 408955654 YBBFLQGCVWRGOX-GIJQJNRQSA-N 398.440 3.714 30 40 GHEB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1C 4784419 DRCOTAUYGLNLIU-HSZRJFAPSA-N 376.456 3.723 30 40 GHEB C[C@H](/N=C1\SCCN1C(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 16045246 DRQOFZZSIOAHNH-MOHKDSSBSA-N 377.469 3.834 30 40 GHEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCOCC2)o1 409021215 ZDHRVDOZRHIJLI-PTNGSMBKSA-N 389.864 3.661 30 40 GHEB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4C#N)cc3c2C1 32945363 ZQPIGLSNIFQJPX-AWEZNQCLSA-N 387.439 3.960 30 40 GHEB Oc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1I 408905205 VDNICMTYESOUHO-VCHYOVAHSA-N 389.196 3.991 30 40 GHEB C=CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccccc1O 408604014 IBJLBBTZMSJQJJ-UHFFFAOYSA-N 382.401 3.709 30 40 GHEB C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 409409415 VCWGCUUNEAYGRO-WJDWOHSUSA-N 398.846 3.765 30 40 GHEB CN(CC#CCNC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 90590659 CMTXWJLCILEOOC-UHFFFAOYSA-N 375.394 3.962 30 40 GHEB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccccc4C#N)C3=O)ccc2c1 6469359 XWYBBLZLOIGUDO-HSZRJFAPSA-N 385.423 3.687 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(-c3ccccc3F)o2)n1 6648689 HHZFHSDZHUGOGL-ZDUSSCGKSA-N 384.388 3.884 30 40 GHEB CC(C)[C@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 1260223 DRNPRPLFISFJBY-OAHLLOKOSA-N 385.514 3.844 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O 12858203 RGINUEKZLVTANA-UKWGHVSLSA-N 396.395 3.644 30 40 GHEB biogenic C=CCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc21 4492812 JSJBBFLGNIEWMS-AWEZNQCLSA-N 386.521 3.861 30 40 GHEB C=CCn1c(SCC(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 5556852 OOWLXPMJPVCCDJ-UHFFFAOYSA-N 386.498 3.885 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2F)cc1 9087195 RTKCHLOIFWVOBU-SZNDQCEHSA-N 390.418 3.842 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Br)c(N3CCCC3)o2)C(=O)N1CC 408851586 DCGOYDWKLKMTGS-SZVONTKZSA-N 398.326 3.954 30 40 GHEB N#Cc1nn(-c2ccc(Br)cc2)nc1N1CC[C@H](c2ccccc2)C1 256046816 IEWFPDRZSVBHAH-HNNXBMFYSA-N 394.276 3.895 30 40 GHEB COc1ccc(Br)cc1/C=C1\S/C(=N/C2CCCC2)NC1=O 20987407 IUBSOGQCJXWIQL-ZROIWOOFSA-N 381.295 3.960 30 40 GHEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 102900522 OUERWONKTUXTME-DPEHCCBOSA-N 390.208 3.640 30 40 GHEB C#CCOc1ccc(C[C@@H]2SC(=O)N(CCCc3ccccc3)C2=O)cc1 6295387 DIQSVHZTJTXGNP-FQEVSTJZSA-N 379.481 3.938 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc4ccccc4c3)C(=O)NC2=S)cc1 16292791 IGEPIVBYEKWFMN-QNDYCBLQSA-N 387.464 3.915 30 40 GHEB C=CCN(CC=C)[C@H](CNc1ccc2nnc(-c3ccccc3)n2n1)C(C)C 59577627 WLSMVBASAWMBJW-LJQANCHMSA-N 376.508 3.902 30 40 GHEB CC(C)COc1cccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c1 2797800 NPZAXFLMAXEBQX-SSDVNMTOSA-N 380.448 3.729 30 40 GHEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccccc2)=N1 57401459 LZKJFHPXWUMKQH-UHFFFAOYSA-N 380.473 3.608 30 40 GHEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nc(N)c32)cc1 4331383 SMUPDCFOKKKTKW-HNNXBMFYSA-N 396.516 3.990 30 40 GHEB Cc1cc(C(=O)O)ccc1/N=C/c1ccc(O)c(I)c1 408905337 XLZIFJQXBMMCNV-CAOOACKPSA-N 381.169 3.754 30 40 GHEB NC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409383885 NHOVSADYOBRZOZ-UFWORHAWSA-N 398.713 3.849 30 40 GHEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 40283534 XHHXQOAZAOCSSC-KZULUSFZSA-N 378.388 3.651 30 40 GHEB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)c(C)c1 5813193 XSYLXDQGGDWYOR-MRXNPFEDSA-N 393.443 3.648 30 40 GHEB CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)c(OC)c1 15224735 UCMWRRGKPAMCBA-YDZHTSKRSA-N 381.480 3.709 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)o1 19827366 RIIFCLHEMWCANI-FQEVSTJZSA-N 396.487 3.817 30 40 GHEB COC(=O)c1ccccc1N/C=C(/C(=O)c1ccccc1)C(=O)C(F)(F)F 100862422 UTPUDCOFJOYMMP-KAMYIIQDSA-N 377.318 3.783 30 40 GHEB N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 3393137 HPLYKNCHKACYMH-UHFFFAOYSA-N 395.415 3.750 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 3367397 IPAWQGQRNSYAMJ-IBGZPJMESA-N 379.888 3.950 30 40 GHEB N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#N)c(C#N)c3)cc2)cc1C#N 2319439 PJENPXUKZBISEQ-UHFFFAOYSA-N 378.394 3.973 30 40 GHEB C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 4999364 JSINOHKCRGNYQR-LBPRGKRZSA-N 379.445 3.814 30 40 GHEB COc1ccc(Nc2n[nH]c(NC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 6908317 AKBVBAITFSQQFF-UHFFFAOYSA-N 397.822 3.704 30 40 GHEB CC12c3ccccc3C(C=O)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 409336042 QMKVDSIFIPXRSC-UXJBYQTMSA-N 393.442 3.610 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 409089377 MFOBUQPPGVQPJX-ILUQUSQBSA-N 398.462 3.653 30 40 GHEB COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218550440 VFQWTRVRDPSFET-FGTMMUONSA-N 379.840 3.575 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 32891717 MWCMLZYCGROPTC-UHFFFAOYSA-N 380.495 3.776 30 40 GHEB COc1ccc(O/C(C(=O)O)=C(\Cl)C=NNc2ccc([N+](=O)[O-])cc2)cc1 255003822 BHEUNGJPQWQRJZ-SLFVRJJNSA-N 391.767 3.615 30 40 GHEB CCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2cccc(Cl)c2)n1 57527782 FZMQXGNMWQAHJT-UHFFFAOYSA-N 392.846 3.636 30 40 GHEB Cc1c(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(C#N)n1C 58017129 LWZJKKQCHLTESF-UHFFFAOYSA-N 390.453 3.978 30 40 GHEB C=CCOc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409286160 YAQJFWUYBIQLEB-UHFFFAOYSA-N 398.260 3.914 30 40 GHEB N#Cc1ccsc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 8025599 GPGCWSHQTIEIHR-UHFFFAOYSA-N 381.486 3.809 30 40 GHEB C=CCNc1nc(C(=O)OCC(=O)c2cccc(Br)c2)cs1 5040337 KFFJFYHKRRJQCQ-UHFFFAOYSA-N 381.251 3.543 30 40 GHEB CCOC(=O)c1cnc2c(C#N)c(-c3ccc(Br)cc3)nn2c1C 408927758 XSARRYDOKMKAEW-UHFFFAOYSA-N 385.221 3.516 30 40 GHEB N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 15030100 GCRSKUFUARSIAR-UHFFFAOYSA-N 397.500 3.570 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2ccc(OC(F)F)cc2)n1 21279403 ZQCHERBNLZIBAZ-UHFFFAOYSA-N 391.443 3.922 30 40 GHEB Cc1nc2ccccc2c(C)c1CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 12528499 HCVHMAPYEAIUHP-KRWDZBQOSA-N 393.487 3.669 30 40 GHEB CCOc1ccc(-c2c[n+](CC(=O)Nc3ccc(C)cc3)c3n2CCC3)cc1 28047835 LTHVQOQHAODYMA-UHFFFAOYSA-O 376.480 3.735 30 40 GHEB O=C1Nc2cc3c(cc2/C1=N\Nc1ccccc1C(F)(F)F)OCCCO3 17372095 QCNOJNPABIXKRD-UHFFFAOYSA-N 377.322 3.635 30 40 GHEB CCOc1cccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c1O 5032850 YARAFSMSPWPXLW-FPIDQHAWSA-N 398.440 3.723 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@H]1c1ccccc1 5346786 OIFWWQFDFRCZCL-SFHVURJKSA-N 383.411 3.574 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OCC(N)=O)cc1 5945606 SNZJQTYTPJRSQT-QFIPXVFZSA-N 391.471 3.773 30 40 GHEB N#Cc1c(COC(=O)c2ccc(OCC(F)(F)F)nc2)cn2ccccc12 40040103 SVULAQUGGXJVOL-UHFFFAOYSA-N 375.306 3.504 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 102799333 ODLXFDZFCDNXJH-WOOAAIBNSA-N 383.444 3.780 30 40 GHEB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 100821602 PXMHJZZKNSWIAP-HNNXBMFYSA-N 397.500 3.788 30 40 GHEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 1850714 FQOPIXYYQNPIJZ-QGMBQPNBSA-N 392.824 3.537 30 40 GHEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 26781464 FEACBXQMCWENHN-QRVBRYPASA-N 377.598 3.733 30 40 GHEB Cc1cc(C(=O)CSc2nc(N)cc(N)c2C#N)c(C)n1-c1ccccc1 48264764 STGKEAAWHLCXOO-UHFFFAOYSA-N 377.473 3.500 30 40 GHEB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 12936717 HCRJJIRNMIVALI-UHFFFAOYSA-N 399.516 3.707 30 40 GHEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2cc(C)ccc2C(C)C)s1 8767245 ZSYZGMLDWRGKBG-UHFFFAOYSA-N 397.522 3.821 30 40 GHEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1c(Cl)cccc1Cl 5626201 DANORGSNBCVLKU-CNHKJKLMSA-N 379.276 3.635 30 40 GHEB N#Cc1cc(Cl)ccc1CS(=O)(=O)Nc1nnc(-c2ccsc2)s1 95466430 BCWUKWLAOHZKSD-UHFFFAOYSA-N 396.906 3.734 30 40 GHEB COc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c1 35311886 LQKDBHAROJQKAZ-UHFFFAOYSA-N 393.424 3.575 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](C)CCC)cc1)S(=O)(=O)c1ccccc1 260565539 PEJPGOCSRHLSKI-QGZVFWFLSA-N 386.517 3.986 30 40 GHEB CCCCCCCN(CC)C(=O)CCC(=O)c1ccc(NS(C)(=O)=O)cc1 100005540 IJUIQGJHHJVHKP-UHFFFAOYSA-N 396.553 3.840 30 40 GHEB O[C@H](CNCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100238884 LTRNBXMYHOAEBK-JTQLQIEISA-N 383.254 3.995 30 40 GHEB COc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)cc1 48461116 KSLRACHHRLWQPA-SECBINFHSA-N 375.855 3.523 30 40 GHEB CN(C)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197656 QKICWWUZNWHAOB-JLTOFOAXSA-N 391.500 3.821 30 40 GHEB C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 8719600 RLVWKQMXIQUNDW-MRXNPFEDSA-N 385.876 3.555 30 40 GHEB COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2)cc1OC 4516893 FTPXXXVTXIPZHD-UHFFFAOYSA-N 376.416 3.733 30 40 GHEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1OC 16695951 GLGNNIXPYHDGAE-QZXJWJGPSA-N 379.485 3.758 30 40 GHEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1cc(Cl)cc(Cl)c1 408535705 OMRVFQCPTWOEMT-LBPRGKRZSA-N 394.189 3.734 30 40 GHEB C#CCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408967600 WAMKVRWBXSDUCY-CPNJWEJPSA-N 378.453 3.907 30 40 GHEB C=CCOc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 224343010 NGQYNCLMULHRHT-UHFFFAOYSA-N 392.502 3.733 30 40 GHEB CCOc1ccc2c(c1)C=C(/C(O)=N/S(=O)(=O)c1ccc(C)s1)CO2 48529214 APJBCCMGSUXZJY-UHFFFAOYSA-N 379.459 3.576 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCC(N)=O)cc1 5945742 SNZJQTYTPJRSQT-JOCHJYFZSA-N 391.471 3.773 30 40 GHEB Nc1nnnn1/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 6476644 FVDYBMFUJWBHJW-SSDVNMTOSA-N 378.823 3.523 30 40 GHEB C=CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 40127220 MPLMKRJONYYYDJ-UHFFFAOYSA-N 383.429 3.662 30 40 GHEB C=CCNC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645101 YQORPFADPAMREZ-UHFFFAOYSA-N 383.395 3.565 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2cccs2)no1 102804002 UBMMQXOQRRKZOQ-UYTDBDHRSA-N 384.388 3.810 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)c1 24778470 XOFAWNRWGYTILV-HSZRJFAPSA-N 397.430 3.815 30 40 GHEB CCOc1cccc(/C=N/c2ccc(C(=O)NCCN(CC)CC)cc2)c1O 44836013 YLKYFVBQRHDVBW-LFVJCYFKSA-N 383.492 3.613 30 40 GHEB N#C[C@@H](C(=O)c1cccc(NC(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl 49396440 DLRYGPDWKSRAFW-LLVKDONJSA-N 382.729 3.734 30 40 GHEB C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(OC)c2)C1=O 4676352 CHWSPVZUUDCGOW-UKTHLTGXSA-N 396.262 3.526 30 40 GHEB COc1ccc(OCc2cc(/C=C/C(=O)c3cnn(C)c3)ccc2OC)cc1 6925510 OUQQEIURFIJPFT-ONNFQVAWSA-N 378.428 3.912 30 40 GHEB C#CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N(C)c2ccccc2)c(F)c1 72268230 TYVOIQZIFCVDDX-HXUWFJFHSA-N 395.478 3.917 30 40 GHEB N#Cc1ccc(N=c2cnc([C@H]3CCCN3Cc3cccc4[nH]ccc34)c[nH]2)cn1 585294578 SANQCDMISUKVQX-JOCHJYFZSA-N 395.470 3.727 30 40 GHEB COC(=O)c1ccnc([C@H]2CCCC/C2=N\NC(=S)Nc2ccccc2)c1 675010697 VYHJJYFEOWIBHG-RNWAHURQSA-N 382.489 3.868 30 40 GHEB CCOc1ccccc1/N=C1\NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2O)S1 12032394 YQMXCZHCKSSXEK-MHWRWJLKSA-N 385.401 3.591 30 40 GHEB COc1cccc(NC(=O)C[C@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)c1 18285761 MRORRVXDFCOMAD-QGZVFWFLSA-N 383.473 3.560 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 169690745 VGGZQNVGFUANKB-UWZQGKBXSA-N 386.451 3.797 30 40 GHEB Cc1ccc(Cn2cccc(C(=O)Nc3cc(Cl)ccc3C#N)c2=O)cc1 4940386 PJBVODZUOLMKPM-UHFFFAOYSA-N 377.831 3.982 30 40 GHEB Cc1nn(-c2ccc(Cl)cc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12 20517695 BFQNNWJGBVXROK-UHFFFAOYSA-N 391.818 3.914 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1cccs1 4312371 QLDQRHKFNVONEK-SJKOYZFVSA-N 387.432 3.645 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 100201471 BNGCXIRZEOVYLM-HBUCMGDCSA-N 392.842 3.987 30 40 GHEB O=C1CSC(=S)N1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3246295 HPABADYCDBESNF-UFFVCSGVSA-N 396.472 3.873 30 40 GHEB O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 4556234 ZYOCCJGLHDKPBW-BREAQWACSA-N 391.398 3.826 30 40 GHEB CCCCNC(=O)N(O)[C@H]1N(/N=C/c2ccc(C)cc2)C(=S)SC1(C)C 4794987 ALYHJNJFVGBSPQ-RVZJCZPVSA-N 394.566 3.968 30 40 GHEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 5931346 ZGOMWVPFIFNXRE-ABAIWWIYSA-N 382.489 3.620 30 40 GHEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC(=O)O 409076334 ASXJARCYJZCMAI-CIAFOILYSA-N 384.388 3.936 30 40 GHEB C#CCN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 409042362 MONYGJDKWGHWNA-RVDMUPIBSA-N 387.258 3.909 30 40 GHEB Cc1cc(I)ccc1/N=C\c1ccc(N2CCOCC2)o1 409013440 NIPQPRJVFJREGQ-WQRHYEAKSA-N 396.228 3.780 30 40 GHEB N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 47262042 PHFZEYXEPHIUBE-UHFFFAOYSA-N 399.292 3.566 30 40 GHEB Cc1ccc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)nc1 585294016 MUTJWZIKSPYJCF-GOSISDBHSA-N 376.489 3.616 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c21 12113522 HXMNLGMIGOPUNJ-BBRMVZONSA-N 398.532 3.602 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ncnn21 19959869 PMKQZSFJBPZUOL-ZUOKHONESA-N 376.416 3.686 30 40 GHEB C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062240 BOSYCQJPEYNHHN-UHFFFAOYSA-N 380.498 3.970 30 40 GHEB CCOc1ccc2c(c1)O/C(=C\c1ccc(O[C@H](C)C(=O)OC)c(OC)c1)C2=O 8823722 MPVAUCOSHKKNGZ-RBFBNPFJSA-N 398.411 3.650 30 40 GHEB biogenic C=CCn1c(SCC(=O)N(CC)c2ccccc2)nc2ccsc2c1=O 8877595 XAMMQKJIKCXZCK-UHFFFAOYSA-N 385.514 3.789 30 40 GHEB O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 12442647 IWLXTFWFAJMSRW-OBLBUWMUSA-N 381.403 3.773 30 40 GHEB C=CCOc1c(Br)cc(CNC[C@H](O)c2ccccc2)cc1OC 22076662 CTRSVYBCCFVISJ-KRWDZBQOSA-N 392.293 3.846 30 40 GHEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2Cl)ccc1F 29055274 YOQQDQKOGBDNFT-UHFFFAOYSA-N 382.844 3.504 30 40 GHEB O=C(c1ccc(=O)[nH]c1)N1CCCS/C1=N\c1cccc(C(F)(F)F)c1 101920944 MXAJPFOVSSSUMK-JWGURIENSA-N 381.379 3.661 30 40 GHEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl 102436325 WMJFDLJJXVXGPW-AAGJOFLKSA-N 377.227 3.873 30 40 GHEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] 104255068 WCZSKBWNQBMSPV-PXNMLYILSA-N 379.716 3.901 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)s1 136102853 HIOIAWSGTHCAOW-YYUXNYDTSA-N 393.877 3.900 30 40 GHEB O=C1/C(=N\Nc2nc3ccccc3s2)c2cc(F)ccc2N1C1CSC1 223755011 CHVZCLRJEINQMD-PGMHBOJBSA-N 384.461 3.714 30 40 GHEB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cccc(C#Cc2cccs2)c1 36803484 QYZJINSLPYKPLX-UHFFFAOYSA-N 389.436 3.549 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCCCc3ccccc3)nnc12 6785744 WOIUBVZCRVITNT-UHFFFAOYSA-N 376.485 3.955 30 40 GHEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1 102804404 AIWYMOQGYJUWOU-SELCWUDQSA-N 394.383 3.519 30 40 GHEB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C#N)cc1 9263517 JWKFSJIZLUDQOZ-CIAFOILYSA-N 396.475 3.736 30 40 GHEB N#Cc1nc(COc2ccc(F)cc2)oc1N1CCN(Cc2ccccc2)CC1 54061546 KDBMTBGGSOYBFT-UHFFFAOYSA-N 392.434 3.587 30 40 GHEB CN(C)N1C(=O)C[C@@H](c2cc(Br)cs2)C2=C1CC(C)(C)CC2=O 1429517 PMVIRRDGXSKCPK-NSHDSACASA-N 397.338 3.946 30 40 GHEB CN(C)c1ccc(/N=C2\C=C(N3CCSCC3)C(=O)c3cccc(O)c32)cc1 2226084 VSEUOGLCMXQFQP-PTGBLXJZSA-N 393.512 3.708 30 40 GHEB Cc1ccnc(NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1 8398667 GRUZTEFNBWFIKA-NSHDSACASA-N 382.182 3.523 30 40 GHEB CCc1nnc(S)n1/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408876316 NUNGZGMAHUPZFX-FSJBWODESA-N 386.484 3.886 30 40 GHEB C=C(C)Cn1cnc2c(sc3nc(-c4ccc(OC)cc4)nc(C)c32)c1=O 13732103 SFTMNRBTAXCXIH-UHFFFAOYSA-N 378.457 3.961 30 40 GHEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O 4385948 FPTZNRGBFNSUPZ-GOSISDBHSA-N 375.472 3.926 30 40 GHEB C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(CC)cc1 4704078 PCUCDWXLBACHHG-HXUWFJFHSA-N 391.471 3.909 30 40 GHEB Cn1c(SCc2ccccc2C#N)nnc1-c1ccc2c(c1)OCCCO2 15867243 ZDTHCNMELYLDGG-UHFFFAOYSA-N 378.457 3.807 30 40 GHEB C=CCOc1ccccc1CNC(=O)CN(CC(C)C)C(=O)OC(C)(C)C 97166254 YYUJSVUUORHUKD-UHFFFAOYSA-N 376.497 3.761 30 40 GHEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 98050612 RUMATRQPSODKKH-IBGZPJMESA-N 390.480 3.845 30 40 GHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)COC)cc1 218502525 GEVNDJDNWWVQHI-HSALFYBXSA-N 389.904 3.998 30 40 GHEB Cc1cc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)ccn1 598601305 SWCSGGUBFUOFRC-IBGZPJMESA-N 385.309 3.535 30 40 GHEB C=CCNC(=S)C(=O)Nc1c(C)cc(Br)cc1Br 5724882 UVMFNCOHRGTDNM-UHFFFAOYSA-N 392.116 3.562 30 40 GHEB C#CCOc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc1OC 12221474 USJGKDMRVMUTLD-UHFFFAOYSA-N 390.365 3.918 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 5373754 YZBNKGPXIADMPZ-LTBFUDJGSA-N 377.487 3.562 30 40 GHEB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C#N)cc1 16268337 JWKFSJIZLUDQOZ-MTJSOVHGSA-N 396.475 3.736 30 40 GHEB C=CCOc1cccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1 7925870 UPNOTXINAVXKRV-HKWRFOASSA-N 388.423 3.723 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OC)c(OC)c1 7987949 XWIYFWQGJURJDS-UHFFFAOYSA-N 387.910 3.796 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2ccc3ccccc3c2)cc1)N1CCOCC1 670933 PVXJZQAKIXAVLO-CJLVFECKSA-N 380.469 3.611 30 40 GHEB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 55160348 FUCWYNLQBQGNQN-IBGZPJMESA-N 392.455 3.553 30 40 GHEB COC(=O)c1ccc(COc2ccc(/C=N/Nc3ccc(Cl)nn3)cc2)cc1 20757247 MNOVVIGOHPHKLY-WSDLNYQXSA-N 396.834 3.942 30 40 GHEB COC(=O)c1ccc(C)c(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c1 408751125 WVMPNQUZVJGDKQ-NHDPSOOVSA-N 380.360 3.791 30 40 GHEB Cc1c(C#N)c(NC(=O)CCSc2nncs2)n(Cc2ccco2)c1C 14095678 HFMVPWQJKIDGIJ-UHFFFAOYSA-N 387.490 3.590 30 40 GHEB O=C(C[C@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccccc1Cl 5450561 ANCTXZFYEPGYKA-CQSZACIVSA-N 378.885 3.576 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4962346 UBZFHFZGAOKUHU-XDHOZWIPSA-N 375.450 3.513 30 40 GHEB Cc1c([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc(C#N)n1C 7088147 RQQABHIQBDAIBH-NRFANRHFSA-N 386.411 3.705 30 40 GHEB COc1cc(COC(=O)c2ccc(NC(=O)CC#N)cc2)ccc1OC(F)F 7313784 SHKWMYDJBUVTGP-UHFFFAOYSA-N 390.342 3.506 30 40 GHEB CCOc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409076137 YGYGXWDWCDDYGN-GIJQJNRQSA-N 390.244 3.968 30 40 GHEB CCCOc1ccc(/C(C)=N/NC(=S)NC[C@H]2CCCO2)cc1OCCC 33045731 HTPKGIHMEJJXKF-HRKXOBMBSA-N 393.553 3.631 30 40 GHEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 225664796 BPGVBKPHFQTEDA-ULQDDVLXSA-N 380.252 3.642 30 40 GHEB CN(C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C1(C#N)CCC1 67683538 ZSVZNVDGZQBHLE-UHFFFAOYSA-N 381.501 3.770 30 40 GHEB C=CCn1c(-c2cnccn2)nn(CN2CCCc3cc(C)ccc32)c1=S 158023895 IGLSRDBBXVPXSY-UHFFFAOYSA-N 378.505 3.776 30 40 GHEB CCN1C(=O)/C(=C/c2cn(CCC#N)nc2-c2ccc(F)cc2)SC1=S 2824905 YJOUENSLEHTJPQ-GDNBJRDFSA-N 386.477 3.824 30 40 GHEB O=C(C[C@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O)Nc1ccc(F)cc1F 7883257 RBDIAXCVTZDDKS-CQSZACIVSA-N 395.818 3.866 30 40 GHEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc12 4849036 IUDLBFLDCQSJSD-UHFFFAOYSA-N 391.452 3.917 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062924 GZNRKCYICJBBIC-UHFFFAOYSA-N 391.515 3.762 30 40 GHEB COc1cc(OC)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1Br 107651897 IHNCRCGNGDGAFP-UHFFFAOYSA-N 388.265 3.861 30 40 GHEB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccccc1C#N 1205608 IEDOJNCYQKUGRN-MFOYZWKCSA-N 382.466 3.635 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 25070523 WSYLZLQZHJFOSU-GOSISDBHSA-N 382.430 3.772 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 409124866 LBUZGOBXNDQSKT-QGOAFFKASA-N 378.428 3.743 30 40 GHEB CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 4699137 JAGWAHFLRTYVQE-VGLIXDPASA-N 375.400 3.555 30 40 GHEB Cc1ccc(N2C(=O)CC[C@@H](C(=O)/N=C3\NCCS3)[C@@H]2c2cccs2)cc1 69482985 ISQZEHZRHRAVEC-CRAIPNDOSA-N 399.541 3.760 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)c2C)c1 408589533 LPRGNECHHPORGB-OFMHDUHASA-N 387.483 3.934 30 40 GHEB C=CCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c2ccccc12 225925722 RJVFBRPYWSJWCZ-UHFFFAOYSA-N 378.472 3.992 30 40 GHEB CC(C)Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccnc1)CC(C)(C)OC3 849852 QFDFLLLXDZGYGS-FOKLQQMPSA-N 396.516 3.785 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 13747500 HLVRBARRKKSPAL-UHFFFAOYSA-N 375.222 3.655 30 40 GHEB C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)c(OC)c1OC 15911690 CUNYPMMDIFDGLT-APOPPUILSA-N 399.472 3.804 30 40 GHEB CCOc1cc(/C=N/Nc2ccccc2)c(Br)cc1OCC(=O)O 6464392 YKYGUIUYRRHJLL-VXLYETTFSA-N 393.237 3.757 30 40 GHEB C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cccc(Cl)c21 9872762 RYGQSUFWHKCXIU-NRFANRHFSA-N 385.847 3.618 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(OC)c21 100909653 ZUMMAEHOUWRRTG-MSUUIHNZSA-N 375.431 3.608 30 40 GHEB N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 2643042 YIOGROGPTKGLOP-UHFFFAOYSA-N 375.413 3.820 30 40 GHEB COc1ccccc1NC1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O 100812918 BWDYHTFQAJCLLR-UHFFFAOYSA-N 396.406 3.800 30 40 GHEB CC(C)(C)N1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 2260788 QPHZVKOEOOKOND-UHFFFAOYSA-N 398.557 3.903 30 40 GHEB Cc1oc(-c2cccs2)nc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 58923993 XNKGSDHVQQOITM-HNNXBMFYSA-N 393.424 3.546 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 6321338 MIVUOTFPCAALAT-RMOCHZDMSA-N 376.197 3.645 30 40 GHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 222316105 BXROBWWXAGKEMJ-AOQSPPRYSA-N 386.451 3.626 30 40 GHEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccc(F)cc1 225871080 SCNLYXYQNNRABE-UHFFFAOYSA-N 393.441 3.595 30 40 GHEB CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccc(C(=O)OC)cc1 96610688 PHIIFJOOLYBSLN-UCEMORSKSA-N 382.441 3.803 30 40 GHEB C=C(C)Cn1nc(C)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1C 257321731 WCZLWRJHEDGQAR-AVRDEDQJSA-N 392.551 3.728 30 40 GHEB COc1cc(/C=N/Nc2ccccn2)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 12528758 LQPIFUSNJRHUEL-OLVIXNNRSA-N 396.491 3.705 30 40 GHEB COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959781 XZITUIVPHNSHQN-PSLIRLAXSA-N 378.354 3.574 30 40 GHEB C[C@@H](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 100175137 ZYIBENCKBXFJSL-UWTATZPHSA-N 396.149 3.709 30 40 GHEB in-vitro C#CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cccc(Cl)c21 100910420 KEACBWGVBIEBRC-VZCXRCSSSA-N 386.860 3.748 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 59204602 XLBJANHJIMHWPK-QGZVFWFLSA-N 390.823 3.779 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1OC 20759839 HSNXMJIMDXQLDM-NDENLUEZSA-N 381.428 3.621 30 40 GHEB biogenic CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 102802521 APLZPTRDNVCPEU-SELCWUDQSA-N 380.400 3.817 30 40 GHEB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 3321650 FYKAULLHDDVBGZ-OAHLLOKOSA-N 393.443 3.848 30 40 GHEB N#CCc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8126899 JBQYBKQLIZTBIS-UHFFFAOYSA-N 379.504 3.804 30 40 GHEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4488256 LGGXSBPTFSUJCZ-WLRWDXFRSA-N 382.370 3.873 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 17162538 JGPHJLQMLZVJRF-GOSISDBHSA-N 385.847 3.873 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 5864485 WEEJEADAYPXFQV-OAHLLOKOSA-N 394.500 3.644 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccnc1 8471814 SVNNXWWTBBFKAH-HNNXBMFYSA-N 391.500 3.596 30 40 GHEB C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1CCCC1 4917859 BNDRCMUEGJPIOZ-OAHLLOKOSA-N 380.469 3.877 30 40 GHEB O=C(Cn1cc(/C=N/c2ccc(Cl)cc2)c2ccccc21)N1CCOCC1 408845683 LIOIFVMBYJWZHM-YDZHTSKRSA-N 381.863 3.904 30 40 GHEB Ic1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 408553453 ZEWCMJGDJCORCH-CPNJWEJPSA-N 392.240 3.878 30 40 GHEB Cc1ccccc1Cn1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1 225872071 HAALFHSZODVHQK-UHFFFAOYSA-N 385.515 3.621 30 40 GHEB N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223918816 OFOBYNCYJXGMSY-UHFFFAOYSA-N 391.452 3.806 30 40 GHEB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1cc(Cl)ccc1C#N 77200035 MSTKGHATZKEGLL-QGZVFWFLSA-N 387.798 3.655 30 40 GHEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 143844226 YKJOZGXHSJNODS-FOKLQQMPSA-N 389.427 3.770 30 40 GHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5901078 JJVAZKZNAKOPNC-RBFBNPFJSA-N 398.411 3.650 30 40 GHEB biogenic C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cnccn1 2445589 CZETUEVCRAKSAD-UHFFFAOYSA-N 394.504 3.523 30 40 GHEB CCCN[C@H](c1ccc(/C=N\C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 104083174 IVFCNXGJTASRQM-GRKWUUPQSA-N 395.758 3.650 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 1060751 YFZFZTMSOIYRNK-LQDNNDEMSA-N 397.405 3.575 30 40 GHEB Cc1cc(C)cc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1 409405887 IRNDVMNXVZMBRK-YHDSQAASSA-N 387.483 3.852 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OC)cc1 16737257 SPXFQKRDVIZUQL-FQEVSTJZSA-N 393.439 3.858 30 40 GHEB COc1cccc(/C(O)=N/S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC 48408630 BBCDFLHFGATWLI-UHFFFAOYSA-N 390.244 3.704 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1cccc([N+](=O)[O-])c1 5219097 XVIIABZAXQJHHA-GRSHGNNSSA-N 388.335 3.825 30 40 GHEB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)c(C)c1 4784403 CEVBOOYVPJQSDN-QHCPKHFHSA-N 376.456 3.723 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 5655249 OZZVSIDHINNMDB-UHFFFAOYSA-N 384.391 3.585 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 20060637 MRCWEOYAPYJYSK-UDWIEESQSA-N 382.401 3.541 30 40 GHEB N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)C2)nc1 582038490 GOLXKSKSZJYDPD-FPOVZHCZSA-N 376.460 3.657 30 40 GHEB CC[C@H](CNS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1C#N)c1ccccc1 98086571 QGKKZAWQAPLCRA-MRXNPFEDSA-N 395.484 3.994 30 40 GHEB CCc1nnc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)s1 4849172 NHWWKPAKGYTGBD-UHFFFAOYSA-N 383.502 3.868 30 40 GHEB CCc1nc2ccccc2c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1C 7737254 DDBOSWZIGOTVDI-HNNXBMFYSA-N 393.468 3.904 30 40 GHEB N#C[C@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225664828 BPGVBKPHFQTEDA-IKGGRYGDSA-N 380.252 3.642 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OCC)cc1 224600542 IUBGJCBUNMPWKE-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(-c4cncnc4)cc3)C2)c(F)c1 578019140 LLBCLMARLREKBB-QGZVFWFLSA-N 387.418 3.619 30 40 GHEB CCCC/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 12042571 MSSPDEHKDPSLJC-UAFUQJIBSA-N 391.537 3.924 30 40 GHEB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1C#N 32825624 YJFYHDCQVCAMOI-UHFFFAOYSA-N 399.697 3.795 30 40 GHEB CN(C)c1ccc(/C=N/n2c(COc3ccccc3)nc3ccccc3c2=O)cc1 2350305 PJCPIQSVVDZZQK-PCLIKHOPSA-N 398.466 3.924 30 40 GHEB CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 3385019 VDCSVJZFBACFJJ-FYJGNVAPSA-N 388.420 3.797 30 40 GHEB C[C@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 4073729 SSCYZNWHTIRQSX-FEWBRLDPSA-N 387.520 3.717 30 40 GHEB biogenic CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1cccs1 13843792 IPIHFEXEEPDPNR-SZVONTKZSA-N 396.490 3.568 30 40 GHEB COC(=O)c1ccc(/N=C2\S/C(=C/c3cccc(OC)c3)C(=O)N2C)cc1 4679776 KEBKITDAYJMTMM-MSYUKONTSA-N 382.441 3.716 30 40 GHEB CSc1ccc(Cl)c(/C(O)=N/S(=O)(=O)c2nc3ccccc3[nH]2)c1 69516097 GNVULLANHNFOIH-UHFFFAOYSA-N 381.866 3.632 30 40 GHEB C#CCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408816941 KHWXELRQFUIZKQ-ZSOIEALJSA-N 396.262 3.526 30 40 GHEB C=CCN(C(=O)C1CCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 7037476 WKSKFLDFOKYYCL-UHFFFAOYSA-N 376.503 3.533 30 40 GHEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2csc(-c3cccs3)n2)c1 40146469 VUXNWMZTQFUFKH-UHFFFAOYSA-N 381.482 3.564 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl 6238900 WNMMSQWCAAURMZ-SFHVURJKSA-N 385.847 3.955 30 40 GHEB COC(=O)c1cc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)ccc1Cl 59679775 UAXSMAKYCFDBFO-DNTJNYDQSA-N 382.199 3.994 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4CC(C)=C(C)C[C@H]4C)c(O)nc3c2c1 9166235 ZPDWUVYSLUJLPN-XGJDRYDNSA-N 380.448 3.808 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccccc2)s1 102925272 MWFWIGZJGBIDEA-MRPLLJTBSA-N 383.454 3.534 30 40 GHEB CN/C(=N/c1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 13370806 WSIKUVDZKVQLGC-GOSISDBHSA-N 397.500 3.584 30 40 GHEB C=CCOc1cccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)c1 6510686 FLRZCULYHSPQRO-BOPFTXTBSA-N 395.411 3.622 30 40 GHEB C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 18405646 PNWYENKGPQSKNX-ZDUSSCGKSA-N 390.472 3.616 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1)S(C)(=O)=O 113936361 PFXNNRVFTGYALJ-QGZVFWFLSA-N 386.517 3.746 30 40 GHEB O=C(OCC#CCSc1nc2ccccc2o1)c1cc2ccccc2oc1=O 9614770 ZQNQPWFXBOMPFW-UHFFFAOYSA-N 391.404 3.887 30 40 GHEB O=C(COc1ccc(Br)cc1/C=N/O)Nc1ccc(Cl)cc1 409222170 BZHQTBOEFUJGOV-QGMBQPNBSA-N 383.629 3.928 30 40 GHEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 409355005 BBEXVVANLNJVIZ-WQRHYEAKSA-N 375.409 3.697 30 40 GHEB Cc1noc([C@@H]2C/C(=N\O)CN2C(=O)c2ccc(-c3ccccc3C)cc2)n1 1569989232 YZLZLENDVRVZBN-SNAUHIFDSA-N 376.416 3.771 30 40 GHEB COc1ccc([C@@H]2C=C(c3ccc(Br)cc3)NC(=O)[C@H]2C#N)cc1 1775968628 HWFXJIHUAJCXDA-IRXDYDNUSA-N 383.245 3.852 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 100175851 YPNVUYNTXIEDTP-MBWWQJJZSA-N 386.451 3.797 30 40 GHEB C=CCn1c(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n[nH]c1=S 6856348 FLAKVLUBOOILOJ-UHFFFAOYSA-N 378.457 3.509 30 40 GHEB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nn12 8071524 NPUQQXNEKMDQMK-UHFFFAOYSA-N 392.419 3.678 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 102931282 IBOLRUMRWXPPKV-GHNGSUTGSA-N 395.436 3.972 30 40 GHEB COc1ccc(CCC2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc1 12998971 NIXAUDLAEMQPTM-UHFFFAOYSA-N 377.488 3.850 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 6238888 HMFXLRUGMRQLOH-SFHVURJKSA-N 385.847 3.955 30 40 GHEB C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2cccc(C)c2C)c1 5498905 OLBARJBMAUFFAS-YDZHTSKRSA-N 383.517 3.875 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1cccs1 6785340 ZDZHYWQQOFFBDE-UYTDBDHRSA-N 390.530 3.573 30 40 GHEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccc(F)cc3)o2)cc1 408776526 OZIQPUPYLYSZTG-FSJBWODESA-N 379.391 3.733 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1)S(C)(=O)=O 20049637 BUKQSICUYXXFSQ-QGZVFWFLSA-N 386.517 3.746 30 40 GHEB CCOC(=O)c1ccc(/N=C2/C(=O)N(CN3CCCCC3)c3ccccc32)cc1 34848339 KPAYACHLNNEINA-DARPEHSRSA-N 391.471 3.774 30 40 GHEB O=C(NCC#CCOc1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F 90730955 DYABTEIIRODIIQ-UHFFFAOYSA-N 392.333 3.638 30 40 GHEB O=C1C=C(/C=C/c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1nnc([N+](=O)[O-])n1 12375758 OXHSOVDNALHNCK-KALAYHLKSA-N 387.399 3.519 30 40 GHEB COc1ccc(C)cc1/N=C1/NC(=O)/C(=C/c2cc3c(cc2C)OCO3)S1 5531251 VCOIZKKQWNLXEZ-NVMNQCDNSA-N 382.441 3.932 30 40 GHEB C=CCN(C(=O)CSc1nnc(N)s1)c1nc(-c2ccccc2)cs1 6904840 UIAIFTDYKIEFGC-UHFFFAOYSA-N 389.531 3.555 30 40 GHEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc(O)c2CN1CCCCC1 2348674 BWDPQJVSGOZLEW-UNOMPAQXSA-N 380.400 3.903 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(F)c2)cc1 9013229 VAGMODVMQRSINV-BTYIYWSLSA-N 390.418 3.842 30 40 GHEB COc1ccc(-c2nc(NCc3ccc(OC(F)F)cc3)nc(O)c2C#N)cc1 40129995 UMIBDWXMRULSEG-UHFFFAOYSA-N 398.369 3.943 30 40 GHEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102878899 YUIHLWNLWYYZRY-DWEDTRNSSA-N 397.858 3.941 30 40 GHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 101531761 KTRSJSRFICVLMA-RVDMUPIBSA-N 382.397 3.748 30 40 GHEB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccccc1C#N 113834274 MDCXYVBBUZMPGC-VCHYOVAHSA-N 380.425 3.860 30 40 GHEB CC(=O)Oc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1 57531519 GVOUDAHRNIJOCW-IBGZPJMESA-N 398.484 3.631 30 40 GHEB N#Cc1ccccc1OCCCN1CCN(c2nsc3ccccc23)CC1 13734201 GQJPTMKSSZZTGY-UHFFFAOYSA-N 378.501 3.759 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@@H]2c1ccc(C(F)(F)F)cc1 18200678 SYRBITNMSNBEOA-CQSZACIVSA-N 377.370 3.537 30 40 GHEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1cccc(OC)c1 4943641 PQVCMYHYVJEKIV-UHFFFAOYSA-N 393.443 3.647 30 40 GHEB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 68332204 KYKXCXPHQCQISD-UHFFFAOYSA-N 384.439 3.602 30 40 GHEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1cccc2ccccc12 408533635 KJGRIKYNSJHQRS-OAHLLOKOSA-N 375.359 3.580 30 40 GHEB N#C[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218465200 AAMLPQFULJKIJD-VYDXJSESSA-N 396.251 3.528 30 40 GHEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516681 VXGJUNFHEJWHKQ-TUNNFDKTSA-N 397.496 3.570 30 40 GHEB O=C(CCC(=O)c1ccccc1)NCC#CCOc1cccc(C(F)(F)F)c1 90610446 UWXPPBUVAHMIDG-UHFFFAOYSA-N 389.373 3.867 30 40 GHEB COc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1OC 3278776 ANXOCNVQUPTTDF-VCHYOVAHSA-N 394.294 3.787 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)O)[C@@H](C)CC)C1=O 5373765 UAEKGQDACOCAPD-UNFISKBPSA-N 391.514 3.952 30 40 GHEB C/C(=N\OCC(=O)N1CCN(c2ccccc2)CC1)c1cc2ccccc2o1 5692450 CEZBYTHJKISZQL-HAVVHWLPSA-N 377.444 3.522 30 40 GHEB C=CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2cccc(Cl)c21 9872768 RYGQSUFWHKCXIU-OAQYLSRUSA-N 385.847 3.618 30 40 GHEB C=CCNc1nnc(S[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)s1 100118793 VDZHEWQJVYSSJT-LBPRGKRZSA-N 394.909 3.522 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 100263853 USORJRHLNNXVIC-JOJWKMGHSA-N 375.400 3.555 30 40 GHEB C/N=c1/scc(-c2cc(F)ccc2OC)n1/N=C/c1ccc(NC(C)=O)cc1 104699973 DGHJPYCQNFTJDG-ZCMVEBIOSA-N 398.463 3.735 30 40 GHEB N#CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 1093932 RAKWDQWMBUADHW-QQNJPBSNSA-N 390.442 3.757 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc2c(c1)OCO2 1259050 QKYDYUIEXVGIPW-UHFFFAOYSA-N 397.431 3.974 30 40 GHEB C=CCOc1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222498381 LMEAAGLVDDZYHG-UHFFFAOYSA-N 394.880 3.553 30 40 GHEB Cc1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cnn1-c1ccccn1 603622913 MICSJHRCGGLDMM-UHFFFAOYSA-N 396.410 3.887 30 40 GHEB COc1cccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1OC 90610460 UTWCWFWIRGPYIG-UHFFFAOYSA-N 393.361 3.535 30 40 GHEB CN1CCN([C@H]2/C(=N\C(C)(C)C)N(c3ccccc3)C(=O)C23CCCCC3)CC1 101377343 WHCMTDWDTJZWLF-MEQARESCSA-N 396.579 3.797 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102864117 GTCDOGZBAJRMDU-YDJIHCHBSA-N 388.398 3.843 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 102930723 HJCORSXGJIEIBC-SELCWUDQSA-N 385.847 3.798 30 40 GHEB C#CCSc1nnc(-c2cccn(Cc3ccc(Cl)cc3)c2=O)n1CC=C 3133792 KOVZMTGWEJFFKE-UHFFFAOYSA-N 396.903 3.720 30 40 GHEB COC(=O)CCCC1CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 5104351 FKRAGECGULCYDO-UHFFFAOYSA-N 378.385 3.804 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)OCc3ccccc3)nc2cc1OC 1355246 RHORTXMUHYIUPA-UHFFFAOYSA-N 394.452 3.959 30 40 GHEB COc1ccc(-c2nc(SCC(=O)c3ccccc3)nc(O)c2C#N)cc1 1407178 JRWCSKSVAGDTBL-UHFFFAOYSA-N 377.425 3.704 30 40 GHEB Cc1cccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)s2)c1C 3339519 ZUEWIUDJJWRCFY-SFHVURJKSA-N 387.534 3.799 30 40 GHEB C=CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=S 4026333 JHNUCOSZQCMLMG-AZUAARDMSA-N 391.471 3.936 30 40 GHEB biogenic COC(=O)/C=C1/S/C(=N\c2ccc(OC)cc2)N(c2ccc(OC)cc2)C1=O 4682452 GRALYGRSGRPFPG-MSYUKONTSA-N 398.440 3.528 30 40 GHEB C=CCn1c(C)cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1C 4932649 SIJQGOKNEROXCJ-UHFFFAOYSA-N 389.381 3.846 30 40 GHEB CCn1c(SCC(=O)Nc2oc(C)c(C)c2C#N)nnc1-c1ccccc1 8983233 OLWMHTYDWUEUSF-UHFFFAOYSA-N 381.461 3.777 30 40 GHEB N#Cc1ccccc1CS(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8945383 KTFBYBGBLKRIHF-UHFFFAOYSA-N 398.484 3.562 30 40 GHEB N#CCn1c(COC(=O)c2cc3c(s2)CCCCC3)nc2ccccc2c1=O 7004130 CCAATRWZRREAJV-UHFFFAOYSA-N 393.468 3.607 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2cccnc2)cc1)N1CCc2ccccc2C1 408731209 YQSCXDNUFZJZNM-HZHRSRAPSA-N 377.469 3.579 30 40 GHEB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1ccccc1C#N 408857136 JSVXRGBTPWAPCM-WSDLNYQXSA-N 393.472 3.607 30 40 GHEB CCN1C(=O)/C(=C\c2cc(O)ccc2[N+](=O)[O-])S/C1=N/c1ccc(OC)cc1 409249355 KHVRLPGLOAJWRS-QSAFIDALSA-N 399.428 3.933 30 40 GHEB CCOc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCC#N 33701020 FQPCKVUJXCNTHH-BTRKGYGASA-N 385.470 3.862 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785011 MBBQXVNZPWKRLZ-UHFFFAOYSA-N 391.405 3.501 30 40 GHEB C=CCOc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1 1547138968 IQGWXEUGCAIGDK-NRFANRHFSA-N 399.450 3.933 30 40 GHEB biogenic CCOC(=O)COc1ccccc1/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O 18272395 DMICRWMIXBKJJN-LDADJPATSA-N 396.468 3.829 30 40 GHEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 4537473 RSDGPMFRGUVSHS-UHHPSXQGSA-N 394.905 3.943 30 40 GHEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3OC)NC2=O)cc1 5551668 ADPYWQOWFLSBAW-WQRHYEAKSA-N 384.457 3.994 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(O)c1)Nc1nonc1N2 12408557 BETPWRJQEJECOB-APPDUMDISA-N 380.429 3.816 30 40 GHEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc(OC)c1O 13691447 DVYANDBOKXKRFC-QGZVFWFLSA-N 384.432 3.906 30 40 GHEB Cc1ccc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)c(C#N)cc2c1 4848885 POEQQGIQWBFTQF-UHFFFAOYSA-N 391.452 3.552 30 40 GHEB CC[C@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(OC)cc1)N(C)C 32907705 IYAPYACLUJZFEO-QGZVFWFLSA-N 394.504 3.706 30 40 GHEB C=CCN1C(=O)/C(=N/N=C/c2c(C)nn(-c3ccccc3)c2C)c2ccccc21 33043980 DLPVXCZQRDOJGX-HYYQVNHTSA-N 383.455 3.845 30 40 GHEB Cc1nnc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(C#N)c1C 57858134 ROWWQGCPDFGKOK-UHFFFAOYSA-N 381.443 3.825 30 40 GHEB COC(=O)c1ccc([C@@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 36000002 TTYFPQQXVOHDAF-BHIFYINESA-N 397.434 3.589 30 40 GHEB Cc1cc(SCC(=O)N[C@](C)(C#N)C(C)C)n2c(nc3ccccc32)c1C#N 4269521 CFBVMJRQKQXTHQ-OAQYLSRUSA-N 391.500 3.814 30 40 GHEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 5293722 XJBSDIQNECLVLL-RGVLZGJSSA-N 375.812 3.537 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 20633179 UOQHAZDIGYATLY-IBGZPJMESA-N 390.399 3.963 30 40 GHEB CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O 4910519 ZUYSETILOAOKGJ-JIIKEMMSSA-N 397.500 3.948 30 40 GHEB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCC#N 3282845 ZJOJARILVKKNAT-YCRREMRBSA-N 385.803 3.690 30 40 GHEB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 5094053 NRVAHADERFUSBS-CQSZACIVSA-N 378.457 3.872 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2Cl)cc1OC 5408724 QOEVDQSZZZANMI-QGZVFWFLSA-N 387.819 3.565 30 40 GHEB CCC[C@@H](OC(=O)C(F)(F)F)C1=C(Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O 3071556 RARXKXYVAQWDPT-MWLCHTKSSA-N 384.778 3.542 30 40 GHEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccccc3OC)C(=O)N2C)cc1 100279490 MSWSJGTUUVIKPX-WIQPNEMMSA-N 382.441 3.716 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cccc(OC)c21 100909573 FWNNOUQRJRIXBF-MRCUWXFGSA-N 384.457 3.656 30 40 GHEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCN(C)CC4)o3)o2)cc1C 33027211 LUDCAHAPABRQBI-UHFFFAOYSA-N 392.459 3.754 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2657308 CNAOPMYEZYRYIZ-UHFFFAOYSA-N 397.481 3.697 30 40 GHEB C=CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(Br)ccc21 9287150 LBTJPFULWBZHOK-UHFFFAOYSA-N 391.652 3.754 30 40 GHEB CNC(=O)c1ccc(CN(Cc2ccco2)Cc2cn3ccccc3c2C#N)cc1 23186233 HGHHHLVHTDNYGR-UHFFFAOYSA-N 398.466 3.966 30 40 GHEB C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](C)Oc2ccccc2C#N)C1 105637152 RECVXAWEOQRRLQ-OALUTQOASA-N 391.515 3.874 30 40 GHEB C=CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccccc1OC 5131375 YCFKYZHKGJDJFK-HNNXBMFYSA-N 386.521 3.633 30 40 GHEB COc1cc(SC)ccc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 14141298 GVXLQAVJESYHDH-IBGZPJMESA-N 399.491 3.579 30 40 GHEB C[C@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@]1(C(=O)O)c1ccccc1 4728642 GZBLEGZPSIEDSO-OQGZCZJCSA-N 398.375 3.723 30 40 GHEB N#Cc1cccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1 5780380 ANUVWAJFYHJIBE-UHFFFAOYSA-N 376.437 3.985 30 40 GHEB C=CCn1nnnc1NCc1ccc(OCc2ccccc2Cl)c(OC)c1 4943002 JBBNAQREZRIETQ-UHFFFAOYSA-N 385.855 3.712 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4[C@@H](C)CC(C)=C[C@H]4C)c(O)nc3c2c1 8743469 VJKINILCVSZAGY-NJWRWQAQSA-N 380.448 3.664 30 40 GHEB CSc1ccc(Cl)c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 7984341 PKOBNRLYRYWTSH-GFCCVEGCSA-N 380.878 3.860 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCc1ccc(C(=O)O)cc1 408538408 MLMMHOTYRAEPRW-UHFFFAOYSA-N 376.206 3.997 30 40 GHEB COc1cc2c(cc1/C=C1/SC(=Nc3ccc(Cl)cc3)NC1=O)OCO2 409068151 SUPXWWNDKJWZDW-FRKPEAEDSA-N 388.832 3.969 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3cc(Cl)ccc3C)C(=O)NC2=S)cc1 408760603 BNBOEIUKHNGHDH-UNUHRMFVSA-N 385.876 3.723 30 40 GHEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224833295 GQEKOLOUHUEAFL-UHFFFAOYSA-N 379.865 3.801 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 5564234 ZNVVRZUNMNJKBP-NHFXJNLRSA-N 396.462 3.589 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12 8540390 PTKGPTAWPWCTKJ-UHFFFAOYSA-N 377.425 3.841 30 40 GHEB CCN(C(=O)CON=C1CCC2(CC1)OCCO2)c1cccc2ccccc12 54231080 HWIFHYAVCNGCRM-UHFFFAOYSA-N 382.460 3.882 30 40 GHEB C=CCNC(=O)Nc1cnc(Sc2ncc(C(F)(F)F)cc2Cl)n1C 4002476 SNTGIWCDZSQOJW-UHFFFAOYSA-N 391.806 3.946 30 40 GHEB COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502360 VPZCMALSGWXYSO-XOBRGWDASA-N 376.416 3.604 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(CC)c(C)s2)C1=O 98050540 AZGJDZVRWXRZDW-IBGZPJMESA-N 379.526 3.935 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1OC 33392074 HNYJCDBDGNHXFS-VBKFSLOCSA-N 394.452 3.932 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 7645614 STILCYWDIAYLMT-QHCPKHFHSA-N 378.472 3.806 30 40 GHEB COc1ccc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 96024975 ZJINZVJDBRREHV-UHFFFAOYSA-N 386.839 3.691 30 40 GHEB N#Cc1sccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 593533009 HZUCODZUMNLMJC-CYBMUJFWSA-N 397.319 3.908 30 40 GHEB O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccc(F)cc1 16754351 SEPSKUAIUAJEKI-UTIZNNRUSA-N 381.432 3.685 30 40 GHEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc1OC 5376536 FXUOWUAAJCVXMV-PDGQHHTCSA-N 384.457 3.994 30 40 GHEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 12662612 GJFAKBIKRPGMLR-ODLFYWEKSA-N 390.347 3.902 30 40 GHEB biogenic C#Cc1cccc(NC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 45987966 JEEZJRKVSNRWIT-UHFFFAOYSA-N 388.393 3.872 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 102802523 APLZPTRDNVCPEU-GHNGSUTGSA-N 380.400 3.817 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)o1 102804195 YLGBOTGUOPECIC-LFVOPCPISA-N 392.386 3.744 30 40 GHEB CCOc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 100242838 VYMYDGKPHYIELZ-VLDJDNEVSA-N 382.460 3.510 30 40 GHEB Cc1[nH]c2ccccc2c1/C=N/NS(=O)(=O)c1ccc(Br)cc1 3472111 MPWPGPNTHCVRPE-VCHYOVAHSA-N 392.278 3.551 30 40 GHEB C=CCOC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624623 GQAPDWMGJUQJFG-UHFFFAOYSA-N 384.391 3.700 30 40 GHEB biogenic CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc(C(C)=O)c1C 4739502 LKAIOTZYABWDFK-QGMBQPNBSA-N 376.390 3.800 30 40 GHEB CCc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4OC)no3)CC2)o1 80344549 KWTDAVYORLOBMW-UHFFFAOYSA-N 379.420 3.551 30 40 GHEB C=CCc1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)c(OC)c1 9901593 KAJPKBDWZVNZRC-UHFFFAOYSA-N 376.456 3.869 30 40 GHEB CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)c1cccc(C(F)(F)F)c1 553525157 UUGQOQNMWIUNMS-MRXNPFEDSA-N 393.369 3.782 30 40 GHEB Cc1ccsc1-c1nc(=NC(=O)N2CCc3c(CC#N)cccc3C2)s[nH]1 599778400 DDGAIJSGPVMBMR-UHFFFAOYSA-N 395.513 3.653 30 40 GHEB N#Cc1cc(N2CCCC(F)(F)C2)cc(N2CCCC(F)(F)C2)c1[N+](=O)[O-] 593487146 MGOFBHYDMLMCAM-UHFFFAOYSA-N 386.349 3.937 30 40 GHEB N#Cc1c(N)nc(SCC(=O)Oc2ccccc2)c(C#N)c1-c1ccccc1 20079609 ZYKFDCKXWYVISD-UHFFFAOYSA-N 386.436 3.772 30 40 GHEB CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc2c(c1)OCO2 849075 YNXBQBZXORFDDR-KRWDZBQOSA-N 394.408 3.514 30 40 GHEB CC[N+](CC)(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 4031578 DHJJBMFDBLIUBM-UHFFFAOYSA-O 384.456 3.641 30 40 GHEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1 8300630 BAFMIEIAHFMKQX-CMKODMSKSA-N 375.472 3.944 30 40 GHEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@H]2c1ccc2c(c1)OCO2 1035437 STUQZPZJWJHGNX-AWEZNQCLSA-N 397.456 3.774 30 40 GHEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc2c(c1)OCO2 4943824 SDFVNFRXMANPSA-UHFFFAOYSA-N 397.818 3.947 30 40 GHEB O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 409035535 JFNWYAKLLQBIQT-KEBDBYFISA-N 391.343 3.875 30 40 GHEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1C[C@H](C)C[C@@H](C)C1 35426827 LSEPNAQHTGVCDR-ISORKSKUSA-N 382.302 3.716 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc3ccccc23)CC1 12545276 PCUFHVRZSOFFPT-UHFFFAOYSA-N 386.411 3.582 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 16974736 QWWYDAHWUCFKEX-LJQANCHMSA-N 383.419 3.749 30 40 GHEB CCc1ccccc1NC(=O)[C@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 1614117 IIRZPOIKPRSNPL-OAHLLOKOSA-N 378.815 3.899 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)OC)nnc1-c1ccc(Br)cc1 8191647 GMNOKVPKRGXYSM-JTQLQIEISA-N 382.283 3.547 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccc1F)c1c([nH]n(-c3ccccc3)c1=O)N2 102578165 PRVGKOBCYXEIJO-GOSISDBHSA-N 375.403 3.869 30 40 GHEB C#C[C@](C)(CC)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 1074423 FWXVAFIAAHCIDT-QGZVFWFLSA-N 376.338 3.540 30 40 GHEB C[C@@]1(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1(Cl)Cl 8329539 LPBSOCXVKPIZDN-HNNXBMFYSA-N 387.288 3.564 30 40 GHEB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(C)c2C#N)cc1 5089133 XZTPWOMYHYEUAC-AWEZNQCLSA-N 382.489 3.956 30 40 GHEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OC(=O)c1cccnc1 5070910 PZPBYUHSBXKLCY-FSJBWODESA-N 387.399 3.632 30 40 GHEB CCn1cc(/C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)c2ccccc21 8993232 XRSVUYYVSSFBLY-VXLYETTFSA-N 383.425 3.616 30 40 GHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(N(C)C)cc1 22608156 PDHJRPQHFBAXFM-HWPZZCPQSA-N 391.397 3.631 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1cccc(F)c1 12585412 RCBOCJCXFBQIMZ-XAIYEJPOSA-N 375.400 3.555 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19498922 RVCUMBWDNWYADP-JOCHJYFZSA-N 376.500 3.779 30 40 GHEB COc1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1OCc1ccccc1 169886882 NQFKNHBGGGPJNC-PXLXIMEGSA-N 396.468 3.587 30 40 GHEB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 90607627 WZDWRYLNKZFDLZ-UHFFFAOYSA-N 399.878 3.834 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc3C2)n(-c2ccccc2)c1C 12485835 IAWCIVNDQKZNAS-UHFFFAOYSA-N 384.483 3.963 30 40 GHEB O=C(CO/N=C/c1ccc(OCc2ccccc2)cc1)NCc1cccs1 12614230 BTEGGMQGAAMIKK-YDZHTSKRSA-N 380.469 3.994 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1Cl 3336891 PETGYEXUOHURLE-UHFFFAOYSA-N 399.653 3.831 30 40 GHEB CCCn1c(O)c(/C(O)=N/c2nnc(CC(C)C)s2)c(=O)c2ccccc21 18178002 QEGNXEPCYHVTDW-UHFFFAOYSA-N 386.477 3.803 30 40 GHEB Cc1cccc(NC(=O)COc2ccc(/C=N\O)cc2Br)c1C 409256388 KTQPZPPNPKQKKJ-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39752806 BTFYXDTYDYQSIE-UHFFFAOYSA-N 395.478 3.592 30 40 GHEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218426839 OCDWQEYIJOLGSI-GBESFXJTSA-N 375.877 3.745 30 40 GHEB N#Cc1cnc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c(Cl)c1 1889125128 CLPFURPPYKUKBB-WFASDCNBSA-N 393.800 3.736 30 40 GHEB COC1=C(Nc2ccccc2C)C(=O)C(OC)=C(Nc2ccccc2C)C1=O 1680330 KOBVMHWSQAZBLM-UHFFFAOYSA-N 378.428 3.695 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1 6125325 GWDQCUWERWZOHP-UHFFFAOYSA-N 382.397 3.587 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 6764129 SXKZZWIJOKLWPJ-ZCFIWIBFSA-N 396.752 3.928 30 40 GHEB Cc1c(C#N)c(NC(=O)COc2ccccc2Cl)n(C[C@H]2CCCO2)c1C 8527799 BNQGGOQFSUROJR-OAHLLOKOSA-N 387.867 3.827 30 40 GHEB N#CCCN(C(=O)CSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 2617831 BUEBWADLACGZRR-UHFFFAOYSA-N 382.420 3.915 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102864604 GWVGACKLZAIHMK-YDJIHCHBSA-N 388.398 3.843 30 40 GHEB COc1ccc(CCNc2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)cc1OC 16742189 PFOSDBGBJLPPRG-UHFFFAOYSA-N 394.387 3.793 30 40 GHEB Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(C#N)cc3)[nH]c(=O)c2c1C 5255000 BGQGXLBIYTZBNB-GFCCVEGCSA-N 398.513 3.734 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)CCC(=O)c2cc(C)sc2C)n1 6653541 UPIWYRLBGYTDFG-AWEZNQCLSA-N 390.486 3.512 30 40 GHEB C=CCNC(=O)[C@H](C)OC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 7633052 IDJFVVLAXMXQIU-HNNXBMFYSA-N 391.423 3.616 30 40 GHEB N#Cc1cccc(CN2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)c1 306142447 WZLRZRWTRXWEHQ-FGZHOGPDSA-N 381.483 3.732 30 40 GHEB CCOC(=O)C1=C(c2ccccc2)NC(SCC#N)=N[C@H]1c1ccccc1 408986406 CEOCFYMNFHKXLX-SFHVURJKSA-N 377.469 3.918 30 40 GHEB CC(=N\NC(=S)Nc1ccccc1)/C(C)=N/NC(=S)Nc1ccccc1 138460374 VRIQZJRYBTXJRE-JFMUQQRKSA-N 384.534 3.711 30 40 GHEB N#C[C@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242390146 AAMLPQFULJKIJD-INMHGKMJSA-N 396.251 3.528 30 40 GHEB C/C(=N\Oc1ncc([N+](=O)[O-])c(O/N=C(\C)c2ccccc2)n1)c1ccccc1 5760632 CXIGTEINMCPTJC-OZEVPFDHSA-N 391.387 3.991 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 15225494 NCUTVEVIPULPGK-UHFFFAOYSA-N 391.496 3.678 30 40 GHEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)cc1OC 5376533 BLWIKKUFMAWKDH-PDGQHHTCSA-N 384.457 3.994 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)c1 13003395 BKKRVUNQEQDIOV-GOSISDBHSA-N 394.383 3.676 30 40 GHEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(O)cc2)/C1=C(\O)c1ccccc1 102531363 CKJGDAGCGCABKX-LFVOPCPISA-N 375.380 3.607 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccco1 1440173 DCWWVBWCVRQCNM-SFHVURJKSA-N 390.351 3.971 30 40 GHEB COCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCC#N)c1C 12531796 BZXDDRONEGHCOJ-UHFFFAOYSA-N 396.516 3.990 30 40 GHEB COC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccccc1SCC#N 36392636 ZAGRCBAEBSJYQN-UHFFFAOYSA-N 389.864 3.793 30 40 GHEB N#Cc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1Cl 3344147 IKVGQACOIPFGIO-UHFFFAOYSA-N 375.866 3.789 30 40 GHEB O=C1/C(=C\c2ccccn2)N(CCc2ccccc2)S(=O)(=O)c2ccccc21 9422853 KAHLCDZOOAOBBA-CAPFRKAQSA-N 390.464 3.552 30 40 GHEB CC1CCC(NC(=O)CO/N=C(/N)c2ccc(OCc3ccccc3)cc2)CC1 60100286 ZMFCWHOZARAPKN-UHFFFAOYSA-N 395.503 3.597 30 40 GHEB CCCOc1ccc(/C=C2/CS(=O)(=O)c3ccc(F)cc3C2=O)cc1OC 96765586 GJEYEVHMIJUUPT-ZROIWOOFSA-N 390.432 3.677 30 40 GHEB COc1ccc(Cc2n[nH]c(/N=C(\O)Cc3cn(C)c4ccccc34)n2)cc1 72403899 PFJBCYBAAOSLSE-UHFFFAOYSA-N 375.432 3.727 30 40 GHEB COc1cc(C#N)ccc1OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951164 UJAWZBGTWPNKSG-UHFFFAOYSA-N 389.289 3.855 30 40 GHEB O=S(=O)(N/N=C\c1ccc(Br)o1)c1ccc2ccccc2c1 408994672 HBLALLVZNWLBPR-YVLHZVERSA-N 379.235 3.508 30 40 GHEB C=CCn1c(SCCC(=O)OCC)nc2sc3c(c2c1=O)CCCC3 36644088 BHIWXCNXQXKZGX-UHFFFAOYSA-N 378.519 3.568 30 40 GHEB CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408934526 DXELAHXJUZBFRR-LICLKQGHSA-N 382.372 3.889 30 40 GHEB Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 6044039 UCKKTIVJUALMHK-WSDLNYQXSA-N 393.472 3.836 30 40 GHEB Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 5273381 ZKQDEXSCOVJNSZ-UHFFFAOYSA-N 391.427 3.722 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1 17858019 VASJWERYFQUINM-LJQANCHMSA-N 390.395 3.780 30 40 GHEB N#Cc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c1 101813706 KFLZKRKLSQQIRJ-OALUTQOASA-N 397.425 3.969 30 40 GHEB C=CCSc1nnc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)s1 25254621 OLYOSCHDAYFDEO-CQSZACIVSA-N 377.491 3.626 30 40 GHEB Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3)[nH]c(=O)c2C#N)cc1 5238312 UHIGHIJJTSPAFX-CQSZACIVSA-N 390.468 3.736 30 40 GHEB N#Cc1ccc(-c2ccncc2)nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 4733991 HGKWWVLUKBDSFG-UHFFFAOYSA-N 391.412 3.654 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 6907751 PGIXTAUKFSKAOH-OAHLLOKOSA-N 379.489 3.954 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)no1 9243791 JBXUHOSIYZMGQC-MRXNPFEDSA-N 382.397 3.533 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCCO2 19791879 JVCKISNIDUADMR-HXUWFJFHSA-N 397.471 3.625 30 40 GHEB COC(=O)[C@H](C)CN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1C#N 84638249 IKDJDZMKPSKEAA-CYBMUJFWSA-N 377.366 3.788 30 40 GHEB CCSCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 79019129 YAKANWVKTIJIJO-QGZVFWFLSA-N 389.521 3.525 30 40 GHEB C#CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408596448 ZJIFWTFPLMRKHN-YBFXNURJSA-N 389.205 3.920 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 409043587 RTDPIEJOMXZKMY-GVWUBHFPSA-N 398.462 3.653 30 40 GHEB CC1(C)OB(c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2)OC1(C)C 328578066 UITLNTCQXWKWDR-UHFFFAOYSA-N 375.233 3.899 30 40 GHEB N#Cc1ccc(NC(=O)O[C@H]2COCCN(c3nc4ccccc4s3)C2)cc1 96269055 DETKHCMJYCERTF-MRXNPFEDSA-N 394.456 3.622 30 40 GHEB biogenic,in-vitro Cn1ncc2ccc(-c3noc([C@@H]4CCN(c5ccc(C#N)cc5F)C4)n3)cc21 571601458 PFMLRVYJXUENLT-MRXNPFEDSA-N 388.406 3.628 30 40 GHEB CCc1ccc(C(=O)COC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 3332406 VHPOSBFKWWQDOP-YRNVUSSQSA-N 379.412 3.599 30 40 GHEB N#Cc1cnc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)c(Cl)c1 1888876239 SYFISVTUJZQRDS-STQMWFEESA-N 393.800 3.593 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC 101231710 HXLZJKRGRNVCEV-NHFXJNLRSA-N 393.439 3.620 30 40 GHEB N#CCCN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 7737394 HLOZHYZGCYYYMS-UHFFFAOYSA-N 394.324 3.948 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102801852 WOJGZDWMHUACAQ-UYAGBXLBSA-N 377.440 3.596 30 40 GHEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1COc1ccc(F)cc1F 2791880 HCQXMEUEZXCZIU-ZVBGSRNCSA-N 390.415 3.997 30 40 GHEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl 3226934 AKTWZYPOYMQSMS-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2)c1 12815730 NBXAXYLADYLKDG-UHFFFAOYSA-N 380.403 3.997 30 40 GHEB C=CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1nc2ccccc2s1 12924839 ORDYVLAZVYYWRB-UHFFFAOYSA-N 386.498 3.674 30 40 GHEB O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 4556235 ZYOCCJGLHDKPBW-YSESTWPTSA-N 391.398 3.826 30 40 GHEB CCCCS(=O)(=O)c1nnc(/N=C(\O)c2cccc3ccccc23)s1 8767284 RTALMFVCOCKMNE-UHFFFAOYSA-N 375.475 3.901 30 40 GHEB COc1ccc(-c2nc(SCCCOCC(F)(F)F)nc(O)c2C#N)cc1 78869153 WGSUEGZPRGDPQY-UHFFFAOYSA-N 399.394 3.791 30 40 GHEB N#CCOc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409401514 DAGHJRQKYQFNPG-UHFFFAOYSA-N 380.407 3.848 30 40 GHEB C=CCOc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1 1547138970 IQGWXEUGCAIGDK-OAQYLSRUSA-N 399.450 3.933 30 40 GHEB biogenic Cc1ccc(C)c(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408740798 IDMAFRPHLCOCCH-LKKXKRCMSA-N 385.876 3.723 30 40 GHEB Cc1cc2c(cc1/C=C1/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C1=O)OCO2 409056503 RNMWGVYUZUGWSJ-SUZTUZHYSA-N 396.424 3.656 30 40 GHEB N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc2)cc1 520617043 KOROYUSDILXYQT-UHFFFAOYSA-N 394.408 3.850 30 40 GHEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2ccccc2F)c1N 225841161 DFWCJXTUVNBPGB-UHFFFAOYSA-N 385.240 3.878 30 40 GHEB CCN(Cc1ccccc1)c1nn(-c2ccc(Br)cc2)nc1C#N 256046118 CVOAPDPHUSEZNN-UHFFFAOYSA-N 382.265 3.928 30 40 GHEB Oc1ccc(/C=N/Nc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4119296 RZTXIJVALUREEX-CJLVFECKSA-N 380.496 3.609 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(Br)s2)sc2ccccc21 100875183 LQWUGZCSBIUIJL-ICFOKQHNSA-N 377.288 3.901 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 4892870 ASUUYXFAZQGOMM-NFJKTXFASA-N 397.405 3.575 30 40 GHEB CCCS(=O)(=O)c1nnc(/N=C(\O)c2ccc(Cl)cc2Cl)s1 8738974 CYNHNIRAHXJAEU-UHFFFAOYSA-N 380.278 3.665 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 103087453 JNWONUIOFAKALT-NHFXJNLRSA-N 395.455 3.926 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1cccc(F)c1 100263413 RFWSWBZJKUEAMF-CYNURGJPSA-N 375.400 3.555 30 40 GHEB CCCOc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 14198604 HAIMVEOWFKNEQP-UHFFFAOYSA-N 377.488 3.695 30 40 GHEB CCOC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1c(Cl)cccc1Cl 71405464 CDOGJFHCZZLFDL-OAHLLOKOSA-N 377.231 3.914 30 40 GHEB CCOC(=O)CC[C@H]1CCCCN1C(=O)CCCCOc1cccc(C#N)c1 95437641 YYZWNIQDKRWTSN-LJQANCHMSA-N 386.492 3.832 30 40 GHEB COc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 35288716 RTUMWSJCFDDEET-UHFFFAOYSA-N 393.424 3.575 30 40 GHEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224986633 SWUQVOUQXPCOOR-UHFFFAOYSA-N 391.514 3.885 30 40 GHEB N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4ccccc4)ccc(=O)n2C3)cc1 4258773 HUSGWABHFQXGLP-GHTZIAJQSA-N 395.462 3.646 30 40 GHEB biogenic,in-vitro Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 10475567 OUXKBCWYWFQWLG-UHFFFAOYSA-N 380.429 3.560 30 40 GHEB CCOc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O 100945081 GBTFPMKRRRTCPR-UUYOSTAYSA-N 385.851 3.993 30 40 GHEB Cc1cccc(C(=O)O/N=C/c2c(N3CCOCC3)n(C)c3ccccc23)c1 1389823 UPKNMIKLTDWZAX-HZHRSRAPSA-N 377.444 3.514 30 40 GHEB Oc1ccc(Cl)cc1/C=N/Nc1nc2nonc2nc1Nc1ccccc1F 107546555 JKQOZNLRIHEQOA-DNTJNYDQSA-N 399.773 3.701 30 40 GHEB CCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 2253778 LDTMBKUJUCHLBL-FSJBWODESA-N 392.488 3.640 30 40 GHEB COc1ccc(CCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 10672004 OIUISPRLDILKHX-UHFFFAOYSA-N 384.501 3.600 30 40 GHEB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCS/C1=N\c1ccccc1 12858214 WLFVVFBWMBBMTI-DQRAZIAOSA-N 393.468 3.607 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 4814770 ZKDHUGUPHRVLLY-CQSZACIVSA-N 399.545 3.939 30 40 GHEB C=CCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223414200 JBCFMHMMSRGGNL-UHFFFAOYSA-N 380.853 3.525 30 40 GHEB COc1ccc(CCc2n[nH]c(/N=C(\O)Cn3ccc4ccccc43)n2)cc1 95474410 YYAFKYHFHKBJBZ-UHFFFAOYSA-N 375.432 3.841 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1cc(C)on1 13003398 BCJLMKQFRCGVOF-GOSISDBHSA-N 394.383 3.676 30 40 GHEB C[C@@H]1C(=NO)[C@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 16608263 XIEVXBGRBVCJHK-ONFSWIKTSA-N 384.392 3.991 30 40 GHEB Oc1ccc(Br)cc1/C=N\n1c(S)nnc1-c1ccccc1 18148660 XUBOZKVQAQSWKI-MFOYZWKCSA-N 375.251 3.584 30 40 GHEB CCCCCn1c(SCC#N)nc2cc(C(=O)N(CC)CC)ccc2c1=O 4602909 NSOHGNQIJPYREY-UHFFFAOYSA-N 386.521 3.684 30 40 GHEB CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(C(=O)O)cc1 100936638 CWNMKUPTWIKJBQ-KQHCDTJNSA-N 396.424 3.737 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)Cc3cccs3)c2C#N)C1 4950550 ASELWZKSDVYTMX-SNVBAGLBSA-N 375.544 3.862 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C(C(=N\O)\c2ccccc2)/c2ccccc2)cc1 104110535 QESFTDWENQWUBL-KEEJTVGESA-N 393.468 3.556 30 40 GHEB C=CCc1ccccc1OCCn1c(C)c(/C=N/NC(N)=S)c2ccccc21 4676008 WDFQPTYCYHJGPS-BUVRLJJBSA-N 392.528 3.924 30 40 GHEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3cccnc3)c(=O)oc2c1 6719096 HONKCXWXKWUIRO-UHFFFAOYSA-N 392.455 3.700 30 40 GHEB Sc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(N2CCOCC2)cc1 6923284 WPLNOENLNCPAED-FYJGNVAPSA-N 399.907 3.606 30 40 GHEB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C#N)c2)c1 7051252 PWEWNADEAPTYLR-UHFFFAOYSA-N 391.452 3.920 30 40 GHEB CC1=CC(=O)C=C(C)C1=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 100837334 IEIKTBCXMGPXQR-XTQSDGFTSA-N 378.453 3.738 30 40 GHEB COc1ccc(C(=O)Oc2ccc(/C=N/N=c3\[nH]c(C)c(C)s3)cc2)cc1 59386981 DPOZBVLGWJZBEU-CIAFOILYSA-N 381.457 3.856 30 40 GHEB CCCCn1nnnc1COC(=O)c1ccccc1Sc1ccccc1C#N 12589074 ZBMHIVRPTQQBNG-UHFFFAOYSA-N 393.472 3.853 30 40 GHEB CCCCCCCCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 101461460 DCQZPRSUXMAHNG-UHFFFAOYSA-N 397.523 3.704 30 40 GHEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC(=O)N1CCCC1 58245228 OAXYZGZVJSTPSU-HNNXBMFYSA-N 378.432 3.592 30 40 GHEB COc1cc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1OC(F)F 12785940 CFUWZAYWLUVKDY-GQCTYLIASA-N 380.343 3.916 30 40 GHEB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\O)c(C)c1 409264853 GLEPAOWFOPGDKP-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3C(F)(F)F)c2)c1 14160689 BMTAJJMZQQYNBS-UHFFFAOYSA-N 398.340 3.973 30 40 GHEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 6758298 PSQCBFSUPJANGD-TZIWHRDSSA-N 395.411 3.923 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cc(Cl)cc(Cl)c2)C1=O 408530866 FYIDGAOXZNXEFY-AWEZNQCLSA-N 390.226 3.903 30 40 GHEB COc1cc2c(cc1C=Nn1c(-c3ccccc3)nc3ccccc3c1=O)OCO2 409401797 CFLBYKGLFHYNNO-UHFFFAOYSA-N 399.406 3.683 30 40 GHEB Cc1nc(Cl)nc([C@@H](C#N)c2nc3ccccc3n2C)c1Br 5336446 XPXNEBRMYDAMIT-SECBINFHSA-N 376.645 3.743 30 40 GHEB Cc1cccc(O[C@@H](C)c2nnc(/N=C(\O)c3ccc(C)n(C)c3=O)s2)c1C 19235704 OTEDJNLCQAGYJV-AWEZNQCLSA-N 398.488 3.938 30 40 GHEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cc([N+](=O)[O-])ccc1Cl 8221899 PSJAYTLREBFEPA-CMKJFOMVSA-N 390.779 3.989 30 40 GHEB CCCCCCCCSC[C@H](O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2090617 XVCNYYCPAKHFJJ-HSALFYBXSA-N 392.609 3.722 30 40 GHEB biogenic CN1CCN([C@@H]2/C(=N\C(C)(C)C)N(c3ccccc3)C(=O)C23CCCCC3)CC1 101377347 WHCMTDWDTJZWLF-YXQDFNCHSA-N 396.579 3.797 30 40 GHEB COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 6855330 QJWNATLBUDMYBP-NRFANRHFSA-N 390.439 3.704 30 40 GHEB COc1ccc(/C=N/n2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 726807 DOKDQTPKBJWTSC-BUVRLJJBSA-N 385.423 3.963 30 40 GHEB COc1ccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(OC)c1 24983727 ADJFFNLZCAAQQM-UHFFFAOYSA-N 393.468 3.804 30 40 GHEB COc1cc(/C=N/OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 107445461 HVIZQIDRAPSPDX-RCSORELYSA-N 396.434 3.588 30 40 GHEB CC1CCC(N2C(=O)C(O)=C(C(=O)C3CC3)[C@H]2c2ccc(C(=O)O)cc2)CC1 12539436 VZQHTJYCCUWTFG-WBAAUIMVSA-N 383.444 3.638 30 40 GHEB N#Cc1ncn(-c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)n1 12760124 VZFBRXQKNOEBJI-UHFFFAOYSA-N 381.424 3.873 30 40 GHEB O=C1c2ccccc2C(=O)N1c1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 408718440 YBTXZUNTAGANAF-UHFFFAOYSA-N 399.247 3.628 30 40 GHEB C=CCOc1c(Cl)cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1OCC 409316127 PFZBNZRTNQQUTG-WAYWQWQTSA-N 393.783 3.583 30 40 GHEB Cc1ccccc1[C@H]1C(C(=O)C2CC2)=C(O)C(=O)N1c1cccc(C(=O)O)c1 13275932 KVWBFIXMKVKEMR-SFHVURJKSA-N 377.396 3.572 30 40 GHEB CCOc1ccc(OCCCC(=O)O/N=C(\N)c2ccccc2Cl)cc1 8429711 DZUWXLZSHWNYTA-UHFFFAOYSA-N 376.840 3.761 30 40 GHEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(SCC)nn32)ccc1O 4436199 VOBISNPYPAXKHN-KRWDZBQOSA-N 386.477 3.516 30 40 GHEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1cccc(Cl)c1 408741761 NSAXYDUKTAXMDR-IEEVUCOHSA-N 392.267 3.760 30 40 GHEB N#CC1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218382326 YKWAEXZLWNAEKA-HZPDHXFCSA-N 377.252 3.967 30 40 GHEB Ic1cccc(/N=C\c2ccc(N3CCOCC3)cc2)c1 409102500 AMQKEXSVQPZXFE-UYRXBGFRSA-N 392.240 3.878 30 40 GHEB CC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C 1565504626 QOTUCQLCJSAPRA-UHFFFAOYSA-N 389.186 3.739 30 40 GHEB CC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 97944215 NHJDCQYSWCTMHJ-UHFFFAOYSA-N 387.164 3.953 30 40 GHEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)c1 5127163 ABAPENOOLUFBBJ-MFVBVHDHSA-N 382.441 3.739 30 40 GHEB CC1=CC(=O)C=C/C1=N/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 4269744 PQKZRZKRPDOEPZ-YEUCEMRASA-N 378.453 3.657 30 40 GHEB C[C@@H](/N=C1\SCCN1C(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 16045245 DRQOFZZSIOAHNH-NAJQJYEQSA-N 377.469 3.834 30 40 GHEB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 832533 WXLUXPCQMBWHCV-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB O=C1C(=O)N(c2ncccn2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102866311 BWOVTGZATXTPEM-GROYHEBESA-N 391.814 3.756 30 40 GHEB COc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2738369 HAEODNGDEFEDGJ-UHFFFAOYSA-N 397.237 3.822 30 40 GHEB N#Cc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1Cl 48361713 BZSQXYKOQPBBBP-UHFFFAOYSA-N 375.787 3.581 30 40 GHEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1 5931338 VCJHGHDMRXMNPP-ABAIWWIYSA-N 382.489 3.620 30 40 GHEB N#Cc1cccc(COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 19021955 IZSAZAMHPRLYNU-UHFFFAOYSA-N 392.436 3.716 30 40 GHEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(OC(C)C)c1 409144573 LPQDYBQMMPQHAS-MUQPGVHGSA-N 396.487 3.792 30 40 GHEB Cc1nc(-c2cccc(NC(=O)CN(CCC#N)Cc3ccccn3)c2)cs1 72308638 ZNHKNIJRVZURAW-UHFFFAOYSA-N 391.500 3.868 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1 78547253 KEESQSHRFQWFBG-FQEVSTJZSA-N 395.455 3.700 30 40 GHEB C=CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222922947 QOYLJVQDXZZHRA-HNNXBMFYSA-N 388.870 3.741 30 40 GHEB N#Cc1ccc(CN2CC[C@H](NCc3ccsc3C(F)(F)F)C2=O)cc1 529553012 AKSZPBJKPJAJSW-HNNXBMFYSA-N 379.407 3.529 30 40 GHEB O=C1C(c2ccc(N3CCCC3)s2)=C(O)/C1=C1/C=CC(=[N+]2CCCC2)S1 2512217 VSZSDCKBICFMFC-UHFFFAOYSA-O 385.534 3.962 30 40 GHEB CC(C)c1c(C#N)c(N)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c12 22022908 QLPLTTIKOVMSCX-UHFFFAOYSA-N 381.417 3.595 30 40 GHEB CCCCNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N 12421064 ZOWXYRXGBVWCIF-UHFFFAOYSA-N 388.493 3.600 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)COC(=O)CSc2ccc(F)cc2)cc1 22203520 MFJBHLWHYUFPLP-UHFFFAOYSA-N 386.448 3.716 30 40 GHEB CC[C@@H]1CO[C@@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 12950910 QRPLSNGRSOEHCR-LSDHHAIUSA-N 375.538 3.717 30 40 GHEB C=CCN1C(=O)[C@@H](Cc2cccc([N+](=O)[O-])c2)S/C1=N/N=C/c1ccccc1 4159517 BKZFMBMQUXIXOJ-KQHGIQCESA-N 394.456 3.657 30 40 GHEB Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccccc3C#N)cs2)cc1 8327412 KAYZAXIMZUVNJT-UHFFFAOYSA-N 377.425 3.786 30 40 GHEB CN(CCC(=O)Nc1sccc1C#N)CC(=O)Nc1cccc2ccccc12 8345153 PXSRYDDNQWNDQO-UHFFFAOYSA-N 392.484 3.672 30 40 GHEB O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 13730208 ADZQTMJKBZGWRE-ANQVYJHKSA-N 381.403 3.773 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)c(Br)o2)nc1 408854083 XEAGAKGMUIZOSO-LHHJGKSTSA-N 389.991 3.554 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 36883765 IOWYESDIZWHBJY-LIRRHRJNSA-N 394.862 3.618 30 40 GHEB CC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)c1ccc(F)cc1 5726114 OWLGSLXZNCTBJF-UHFFFAOYSA-N 378.403 3.565 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccc(O)cc1 1472365 KANAFFAGYLKNGN-QCLNCQLRSA-N 395.484 3.847 30 40 GHEB N#Cc1c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)sc2c1CCCCC2 31760218 LVAYPKWEKYHCLZ-UHFFFAOYSA-N 399.516 3.537 30 40 GHEB CCc1cccc2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc12 5181562 SOTVTYBPHPNYEJ-UHFFFAOYSA-N 376.485 3.693 30 40 GHEB N[C@@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H](N)c1c(F)c(F)c(F)c(F)c1F 100009808 FUWCXGXKHYMDGK-KBPBESRZSA-N 392.196 3.777 30 40 GHEB in-vitro CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 100164934 MRQYNTIKEXJHHV-UHFFFAOYSA-N 396.553 3.787 30 40 GHEB COc1cccc(NC(=O)COc2nc(-c3ccco3)c3c(c2C#N)CCC3)c1 32102193 WEFZMPRDGUFDDH-UHFFFAOYSA-N 389.411 3.728 30 40 GHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OCC)cc2)c2cc(Cl)ccc21 6659956 KWRRDWGPPIGECR-OAQYLSRUSA-N 385.847 3.732 30 40 GHEB Cc1nn(-c2ccccc2)c(O)c1/C=N/c1sc2c(c1C#N)CCN(C)C2 4739506 WXQWOABHVUNZKM-SSDVNMTOSA-N 377.473 3.558 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1cccs1 6785207 ZDZHYWQQOFFBDE-IBOXJLQUSA-N 390.530 3.573 30 40 GHEB CCc1ccc2nc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)sc2c1 6908062 RRMHEJZFLFKEIQ-UHFFFAOYSA-N 380.473 3.607 30 40 GHEB O=[N+]([O-])c1cc(/C=N\Nc2ccc(Br)cc2)ccc1SCCO 32124593 CKBAAJSGBRYSPY-YVLHZVERSA-N 396.266 3.888 30 40 GHEB COc1cc(/C=N/O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 6145574 FTXHPFWKTSRELE-CAOOACKPSA-N 381.182 3.753 30 40 GHEB Cc1ccc(/C=C/C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 40080494 KWHDJVMVOLIQKT-VOTSOKGWSA-N 394.456 3.538 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC 100562977 PISCSNQXFPKQFI-HXUWFJFHSA-N 385.460 3.625 30 40 GHEB N#CCN(C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 8391889 SCCCZVVLBWALAT-UHFFFAOYSA-N 383.864 3.774 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 105377655 WPQMZZXIPRONLR-YWAVYKJCSA-N 389.536 3.576 30 40 GHEB biogenic COC(=O)Cc1ccc(OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 12545764 FEMNGXJWBGYTIK-UHFFFAOYSA-N 376.412 3.532 30 40 GHEB N#Cc1c(NC(=O)CCNC(=O)c2ccccc2Cl)sc2c1CCCC2 3375508 DZQNQLFBEROBFA-UHFFFAOYSA-N 387.892 3.911 30 40 GHEB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 3321652 FYKAULLHDDVBGZ-HNNXBMFYSA-N 393.443 3.848 30 40 GHEB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18196241 KCTYMXTWPYUJTL-PIGZYNQJSA-N 397.891 3.991 30 40 GHEB COc1cc(OC)c(OC)cc1/C=N/Nc1ncnc2c1[nH]c1ccc(C)cc12 13865076 OAYHWLLMSJGLTK-YSURURNPSA-N 391.431 3.891 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)no1 6275833 JIQGGOAZNKBSOP-QGZVFWFLSA-N 395.802 3.814 30 40 GHEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(F)c1 4412679 GAZPXQGZBKTTRJ-UHFFFAOYSA-N 393.340 3.805 30 40 GHEB C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1C(F)(F)F 18435197 AJUFEINEVNQZEI-VIFPVBQESA-N 391.378 3.545 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1 19138510 LTSLEDCOTUMLEE-ICSRJNTNSA-N 377.440 3.752 30 40 GHEB Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1O 19682499 GKLQFLINJRNJOX-PCLIKHOPSA-N 385.467 3.819 30 40 GHEB C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CCN(C(C)C)C4)c2C)c1 69893360 KZJMRUORNZTCDX-UHFFFAOYSA-N 399.498 3.576 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1F 5476038 STIXMRUEYSXUBD-UHFFFAOYSA-N 393.212 3.876 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1OC 12970190 LIKJOGFLTBTPGN-HXUWFJFHSA-N 395.455 3.618 30 40 GHEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 40283530 XHHXQOAZAOCSSC-KPZWWZAWSA-N 378.388 3.651 30 40 GHEB CC[C@@H](CO)NC(Cc1cccc2ccccc12)=C1C(=O)CC(C)(C)CC1=O 100138426 BFRRJQJJLJNTGE-SFHVURJKSA-N 379.500 3.955 30 40 GHEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ncccn1)C(=O)c1ccccc1-2 100752549 OODZQONVJBPFDJ-PTNGSMBKSA-N 375.384 3.871 30 40 GHEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1C 7842269 UTNTYAOOFGGKAG-UHFFFAOYSA-N 399.516 3.807 30 40 GHEB Cc1sc(NC(=O)COC(=O)c2ccc(C#N)cc2F)nc1-c1ccccc1 8332554 ARHTXTORKOCNPE-UHFFFAOYSA-N 395.415 3.925 30 40 GHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 5864445 AZXHSQACRUSXBK-CQSZACIVSA-N 385.464 3.832 30 40 GHEB Cc1csc(SCc2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)n1 71957002 GUVDWGXLORBZST-KRWDZBQOSA-N 375.544 3.873 30 40 GHEB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C#N 225781230 LTQQPEBQCAGLNF-UHFFFAOYSA-N 380.444 3.652 30 40 GHEB O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1)c1ccccc1 95547887 KQCPTYXNVCECFN-FQEVSTJZSA-N 387.439 3.552 30 40 GHEB Cc1cccc(O[C@H](C)c2nnc(/N=C(\O)c3ccc(C)n(C)c3=O)s2)c1C 19235703 OTEDJNLCQAGYJV-CQSZACIVSA-N 398.488 3.938 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccccc2)nc2sc(C)c(C)c2c1=O 784823 LMYHYLWASUSUIV-UHFFFAOYSA-N 399.541 3.669 30 40 GHEB Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SC[C@@H]2CO2)cc1 6407160 ATLBKUQMCNLOPD-HNNXBMFYSA-N 386.498 3.709 30 40 GHEB O=C1N/C(=N/N=C/c2ccccn2)S[C@H]1Cc1ccc(SC(F)F)cc1 11990790 SZKAMJJKBNDZTB-MNUWJXFPSA-N 392.456 3.561 30 40 GHEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC 12728898 DUAYEGQRAWSZER-GQCTYLIASA-N 387.819 3.974 30 40 GHEB COC(=O)c1ccccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 408750412 MNEHOSZPPBCAAW-JJFYIABZSA-N 393.403 3.630 30 40 GHEB Cc1ccc(N2C(=O)CC[C@@H](C(=O)/N=C3\NCCS3)[C@H]2c2cccs2)cc1 69482984 ISQZEHZRHRAVEC-QAPCUYQASA-N 399.541 3.760 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccco1 13858105 SFAFVMAFPNMUCD-UHFFFAOYSA-N 390.852 3.814 30 40 GHEB Cc1cc(C)n(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(=O)c1C#N 7463024 NCEQFENZXXEOKM-UHFFFAOYSA-N 377.419 3.766 30 40 GHEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O 9420445 VZKJMTSKFOBCHB-MOSHPQCFSA-N 395.411 3.533 30 40 GHEB Cc1ccc(I)c(O)c1CN(C)Cc1cccc(C#N)c1 95996991 KYGIIVNOENYMFT-UHFFFAOYSA-N 392.240 3.809 30 40 GHEB N#Cc1ccc(OC2CCN(C(=O)N[C@H]3COCc4ccccc43)CC2)c(F)c1 518737546 RDDAHDJIHOQMOA-FQEVSTJZSA-N 395.434 3.522 30 40 GHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223549183 VSFAFSDOSZECLD-JOCHJYFZSA-N 380.488 3.867 30 40 GHEB C=CCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 12123345 AFQMLIIHNHNUNM-UHFFFAOYSA-N 375.451 3.834 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 8074778 PSXZLLJQFNIOPW-KRWDZBQOSA-N 390.892 3.730 30 40 GHEB O=C(Cc1ccccc1)NC/C=N/OC(=O)Nc1cccc(C(F)(F)F)c1 6864118 OFNYCTLVDZJFCZ-AUEPDCJTSA-N 379.338 3.599 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 8958706 CGUNVPLRKMJIDV-UHFFFAOYSA-N 394.471 3.814 30 40 GHEB C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(Cl)ccc2C)c1 9220340 FWTIYGSUGDKDTN-UHFFFAOYSA-N 392.908 3.967 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC 100765501 DVZRVENLHWSKQL-OALUTQOASA-N 395.474 3.861 30 40 GHEB Cc1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1-c1ccccc1 6623576 RDXKZOFZXNEQCP-UHFFFAOYSA-N 383.864 3.832 30 40 GHEB CCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](C)CC1=O)N2 22608507 SVSOUUCYNXOCNH-QLJPJBMISA-N 385.449 3.566 30 40 GHEB CCCNc1nnc(SCC(=O)Nc2ccccc2SCC#N)s1 7793486 HIFUZROSMWSYQV-UHFFFAOYSA-N 379.536 3.706 30 40 GHEB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Cc1ccc(OCC#N)cc1 95451260 UEULTSGDMVKZLV-NRFANRHFSA-N 380.488 3.740 30 40 GHEB COc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1 408884396 XPNYPVLPNZJDQA-YDZHTSKRSA-N 391.427 3.602 30 40 GHEB C=CCSc1nnc(NS(=O)(=O)Cc2c(F)cccc2Cl)s1 223154230 ZFOQOZJNQXOYIF-UHFFFAOYSA-N 379.891 3.551 30 40 GHEB C/C(=N\OC[C@H](O)CNCCSCc1ccccc1)c1ccccc1Cl 16942613 OWCXOARYKZIWND-OZHVRZOASA-N 392.952 3.965 30 40 GHEB C=CCN1CCC[C@]2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc1O2 12365576 XUTFHNFXKSQEFE-QHCPKHFHSA-N 377.488 3.527 30 40 GHEB CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@@H](C(C)=O)[C@@H]3C2=CO1 13119571 GAIVGINVGXHEIA-ZAAJWPAISA-N 382.456 3.979 30 40 GHEB biogenic,in-vitro Cc1nn(CCC#N)c(C)c1CCC(=O)NCCOc1ccc(C(C)(C)C)cc1 22956522 MHZJNWGUFFVQQK-UHFFFAOYSA-N 396.535 3.839 30 40 GHEB CN(CCC#N)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 25157285 KMFAARDFWORNGJ-UHFFFAOYSA-N 384.896 3.922 30 40 GHEB CC1(C)SC(=S)N(/N=C/c2ccco2)[C@@H]1N(O)C(=O)NC1CCCCC1 1434545 VJLIDELXUVYMRG-XWAFYUISSA-N 396.538 3.785 30 40 GHEB COCCCCN1C(=O)[C@@H](Oc2ccc(C)cc2C)[C@H]1c1ccc(C#N)cc1 58157180 PBCORXPKOBXWSJ-YADHBBJMSA-N 378.472 3.933 30 40 GHEB N#C[C@H](C(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cn1 48848435 IUWHIZYKWONGNT-LBPRGKRZSA-N 379.304 3.551 30 40 GHEB COc1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1Cc1ccccc1 49976346 VDVFSJDKSNXAHY-UHFFFAOYSA-N 386.455 3.628 30 40 GHEB C(=N/Nc1ncnc2c1ncn2Cc1ccccc1)\c1ccnc2ccccc12 5387789 PCECLZDNPHQUTP-KKMKTNMSSA-N 379.427 3.869 30 40 GHEB COc1cc(/C=N/n2cn[nH]c2=S)ccc1OC(=O)c1ccc(Cl)cc1 5483359 QGTQTLSJGLQIBE-AWQFTUOYSA-N 388.836 3.704 30 40 GHEB O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20060638 DRJCCTGRUHOMKJ-UDWIEESQSA-N 382.401 3.541 30 40 GHEB Cc1cc(-c2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)[nH]n1 5625932 BTQDFZPKFKIFFA-UDWIEESQSA-N 376.445 3.940 30 40 GHEB COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4814160 UFFWEPNRWQMYFV-LHSJRXKWSA-N 390.418 3.842 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C#N)[C@H]2c2ccc(Br)cc2)cc1 242522402 IQUCXSAAPCXLAT-BRWVUGGUSA-N 376.275 3.837 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N/N=C/c1ccccc1 96839935 KIKVYMBUTJKSDT-RDSDJNLHSA-N 395.459 3.919 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F 5027660 FZEFJKSBQQFTPR-INIZCTEOSA-N 375.421 3.502 30 40 GHEB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 1889151744 PLRXCXUDWDEFBX-MRXNPFEDSA-N 388.393 3.713 30 40 GHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)COc2ccccc2)c1C#N 871460 WEDTWYYOGGBSOA-UHFFFAOYSA-N 383.473 3.572 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccccc2c1=O 1514887 RUCGOYXZDXBLRL-UHFFFAOYSA-N 379.485 3.930 30 40 GHEB COc1ccc([C@@H]2O[C@]34CCCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102716709 JERHUPHLSFJQFB-SEONNTABSA-N 376.416 3.594 30 40 GHEB COc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1430129 QHJVHEVFLOYSSY-ICSRJNTNSA-N 390.483 3.889 30 40 GHEB CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc12 2445571 XRGDNALVSFCCLB-KIQCMGJBSA-N 386.459 3.577 30 40 GHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)c(C(F)(F)F)c1 5009265 JCZVMRMRHFACRT-UHFFFAOYSA-N 392.768 3.952 30 40 GHEB CO/N=C/C(=N\Nc1ccc(OC)cc1)C(=O)c1ccc(Br)cc1 5210711 IUUQTUWDKBWDNT-BRRLLNCPSA-N 390.237 3.741 30 40 GHEB COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 18137725 RZMYTWGOWMUCRL-QGZVFWFLSA-N 383.473 3.560 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 6813470 VMJGFBJGOVMCQS-AWEZNQCLSA-N 383.454 3.691 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2cccc(O)c2)cc1)N1CCc2ccccc2C1 408730745 UXRRWLPEJBBPGM-HZHRSRAPSA-N 392.480 3.890 30 40 GHEB C=CCN(C(=O)CCCn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2 23656601 CEIXDCKWALWXAQ-UHFFFAOYSA-N 397.500 3.929 30 40 GHEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)c1 409333614 UTOAMWJHWPYRND-KWWJGWKXSA-N 375.446 3.629 30 40 GHEB CN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 408930224 UHMNTDWMDFJZNR-QUUARBKMSA-N 397.475 3.896 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)cc1 408975170 IVBQEPBMVZUJBK-MOSHPQCFSA-N 390.439 3.519 30 40 GHEB COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408731031 KBLKVFHXLFYQCA-OAQYLSRUSA-N 380.444 3.833 30 40 GHEB CCOc1cccc(/C=N\N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)c1O 5665103 XCMWBFVQBQQOBO-ZBKNUEDVSA-N 378.215 3.873 30 40 GHEB C=CCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19015354 ZELIYZMTTAWODO-HSZRJFAPSA-N 375.516 3.648 30 40 GHEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 5978297 AXWNRJVBNLDIIL-SFHVURJKSA-N 380.400 3.973 30 40 GHEB Cc1ccc(-n2nnc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 11690081 TWAVTXIOSGEYSN-UHFFFAOYSA-N 377.473 3.948 30 40 GHEB CNc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] 21191673 CKWHYVJWSQUJMI-XVNBXDOJSA-N 385.395 3.508 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1C#N 32848079 GMXFTLPAAUCMSR-UHFFFAOYSA-N 392.528 3.823 30 40 GHEB CCOC(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1N1CCOCC1 102423467 CQMFOQNLKOSCLM-LPYMAVHISA-N 388.851 3.810 30 40 GHEB COc1cccc(/C=C/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c1OC 46708895 MFFGPXFNPCWPGE-IZZDOVSWSA-N 381.837 3.716 30 40 GHEB COc1cc(C#N)ccc1OC(=O)COc1ccc(Br)cc1Cl 23116751 STEDJXBCHKQHKH-UHFFFAOYSA-N 396.624 3.967 30 40 GHEB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccco1 2397020 BWARUWNYDRCMRH-ZMOGYAJESA-N 396.410 3.894 30 40 GHEB Cc1ccc(CSCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 72304340 TXAUSTXSCWMODE-UHFFFAOYSA-N 395.528 3.700 30 40 GHEB COc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1 35311901 FKISDVSUDANWPS-UHFFFAOYSA-N 393.424 3.575 30 40 GHEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)c1 219794206 GGBVZVDRLFGRKE-UHFFFAOYSA-N 393.443 3.972 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 408918099 GCTVGCMUSAWLKW-GZTJUZNOSA-N 381.409 3.711 30 40 GHEB C/N=C1\S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N1C 408763769 QSFYSZWIEWFBIV-QEEYBCOYSA-N 376.821 3.830 30 40 GHEB COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1OC 33586164 BHVCUNORKZKSTE-XNTDXEJSSA-N 388.420 3.743 30 40 GHEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 22078435 UPBLKTOHFOWGML-IBGZPJMESA-N 398.890 3.870 30 40 GHEB CCN(CC)c1ccc(/C=N/Nc2nc(NC)nc(Nc3ccccc3)n2)cc1 4119087 UBSVREBFVBIZOO-HZHRSRAPSA-N 390.495 3.949 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Oc3cc4c(cc32)OCO4)c(OC)c1 3053342 XAPWHNUQMAIWQY-OAQYLSRUSA-N 380.396 3.964 30 40 GHEB CCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 20841003 OFVQTBJOUGGQOD-UHFFFAOYSA-N 375.520 3.934 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S 1009544 YZYHGKKYRCXCKF-XGICHPGQSA-N 384.276 3.565 30 40 GHEB N#C[C@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 2284903 DZFFFHLYULTEES-KRWDZBQOSA-N 377.492 3.676 30 40 GHEB O=C1/C(=C2/CCCCCCN2)C(/N=C2\CCCCCN2)=NN1c1ccccc1 13117851 FIXFUNJASNCVBB-ZZEZOPTASA-N 379.508 3.717 30 40 GHEB N/C(=N/OCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 5295483 GDGSUVMOEMRLKJ-UHFFFAOYSA-N 375.428 3.541 30 40 GHEB N#Cc1c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)sc2c1CCC2 8230685 WFKFVWAITLEKQX-UHFFFAOYSA-N 387.515 3.686 30 40 GHEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N(C)C2CCCCC2)c(Cl)c1 9453460 POUKNNLLOZCODR-SRZZPIQSSA-N 379.888 3.689 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1 78547248 KEESQSHRFQWFBG-HXUWFJFHSA-N 395.455 3.700 30 40 GHEB N#CCCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 95953413 TWYMHORRUYUCOR-OAHLLOKOSA-N 383.473 3.776 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2cccc(Br)c2)nc1 409019535 ZPQNRVCTCCZQND-YBFXNURJSA-N 386.209 3.989 30 40 GHEB COc1cccc(OCc2nc(SCc3ccc(F)cc3)nc(N)c2C#N)c1 223693232 QDUDHJIKHDFKQO-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB Cc1ccc(/N=C2\C(=O)N(CN3C[C@@H](C)O[C@H](C)C3)c3ccccc32)cc1C 4492224 XFGYCGMCYMQGTR-BPPCCPPMSA-N 377.488 3.838 30 40 GHEB C=CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 12322898 QNBPOXOTPKKUTN-CYBMUJFWSA-N 383.379 3.847 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1 102721794 BHFWAWWRABXHRV-GROYHEBESA-N 380.425 3.979 30 40 GHEB O=c1c(Br)c(N/N=C/c2ccc(F)cc2)cnn1-c1ccccc1 4070526 ZRMYVOFHKPKOLF-KEBDBYFISA-N 387.212 3.580 30 40 GHEB CCOC(=O)Cn1c(C)c(/C=N/Nc2nc3ccccc3n2C)c2ccccc21 408668226 VUVOHGRDPFQRJF-YDZHTSKRSA-N 389.459 3.846 30 40 GHEB N#Cc1ccc(C(=O)N2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 98211740 GAXDVKJFHRHWEZ-UHFFFAOYSA-N 391.862 3.564 30 40 GHEB Cc1cccnc1CN1CCC[C@@H](c2csc(=Nc3ccc(C#N)nc3)[nH]2)C1 585294548 IFDCWLVQWMZHLZ-MRXNPFEDSA-N 390.516 3.658 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 626244 YPMDVYICJHXBSE-FQEVSTJZSA-N 382.504 3.920 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 78547295 GTPJDQKJBSYCRH-FQEVSTJZSA-N 379.456 4.000 30 40 GHEB CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccc(C)cc2)n2c1CCC2 6951672 KYASIIUODCLTBA-UHFFFAOYSA-O 376.480 3.735 30 40 GHEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1cccc([N+](=O)[O-])c1 3199709 GFVMCEFQHLSXMK-KRWDZBQOSA-N 385.445 3.614 30 40 GHEB N#CCOc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 23150288 KQLDEDLUTLMJMN-UHFFFAOYSA-N 396.406 3.540 30 40 GHEB N#Cc1ccc(C[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)cc1 3300859 QFQHRAJUQVUGOD-FQEVSTJZSA-N 398.418 3.967 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 5079576 ZZTZREOFIYHOCK-YHVDPYDOSA-N 376.412 3.707 30 40 GHEB CSc1ccc(Cl)c(C(=O)OCc2nc3ccccc3c(=O)n2CC#N)c1 6610457 OHEBACGPXOBGTC-UHFFFAOYSA-N 399.859 3.652 30 40 GHEB CCc1ccc(N2C(=O)[C@H](/C=N/c3cc(Cl)ccc3C)C(=O)NC2=S)cc1 4738575 UKXHZGGKACXLLU-CNPYVQQSSA-N 399.903 3.977 30 40 GHEB O=C1N/C(=N\N=C\c2cccs2)S[C@H]1Cc1cccc(C(F)(F)F)c1 18209027 AOVCQZBXLKWORT-QOJWJBQSSA-N 383.420 3.931 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C(F)(F)F)C2=O)c1 408538012 YLXAQKYLSOQVPM-ZDUSSCGKSA-N 389.333 3.615 30 40 GHEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224868133 PRPANHQBOVEZSH-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 46084759 QGJPTWPFLSHUTE-VZCXRCSSSA-N 383.404 3.889 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCc3ccccc3C2)cc(C(F)(F)F)n1 225926154 SOSRVHZHYLQBJU-UHFFFAOYSA-N 393.438 3.531 30 40 GHEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 5022334 UGULJGGISVXDHO-HAHDFKILSA-N 378.413 3.887 30 40 GHEB C=C(C)C(=O)NCCCCCCCCCCC(=O)NCCN1CCCCC1 5830903 SHBKTKBKCIXBQT-UHFFFAOYSA-N 379.589 3.792 30 40 GHEB C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 4955071 QTZOBSDLLWUIKM-XWIAPCODSA-N 386.408 3.588 30 40 GHEB COc1ccc([C@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)cc1OC 20029514 BLVUNBOAMWURCG-LLVKDONJSA-N 394.456 3.550 30 40 GHEB C#CCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033384 IBGKOUXZSLNHDA-AWEZNQCLSA-N 394.272 3.953 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)c2C#N)C1 5485553 FVESJTYAYKLAIJ-CYBMUJFWSA-N 392.484 3.866 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(OC)c1 6009462 VYTHFNYUCSLARD-INIZCTEOSA-N 395.484 3.621 30 40 GHEB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CCC#N)cc1 12597086 DOFKJVSYAVRCQH-HXUWFJFHSA-N 392.459 3.545 30 40 GHEB C=CCn1c(C)cc(-c2csc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)n2)c1C 12947384 SMWDUWHFADWONI-CYBMUJFWSA-N 388.537 3.904 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1 27016167 GJUARQBMAZFDOA-INIZCTEOSA-N 376.865 3.719 30 40 GHEB C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 40107118 DEDYJYPVTMTKQQ-RBUKOAKNSA-N 391.515 3.874 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224832108 RCPPYZSVSARCMI-UHFFFAOYSA-N 395.864 3.501 30 40 GHEB COc1cc2c(cc1OC)-c1cc(-c3ccccc3F)c(C#N)c(=N)n1CC2 101364161 XWCYXCZWWLIHOJ-UHFFFAOYSA-N 375.403 3.886 30 40 GHEB Cc1sc(Nc2nc3ccccc3nc2N2CCN(C)CC2)c(C#N)c1C 2344039 GWJDBAMRQMLSOD-UHFFFAOYSA-N 378.505 3.675 30 40 GHEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O 4936391 MQXQPJOKBGIUGT-JIIKEMMSSA-N 397.500 3.948 30 40 GHEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(OC)c2O)S1 408845276 FXMLURJZBSKZBM-NVNXTCNLSA-N 390.848 3.954 30 40 GHEB O=C1/C(=N\Nc2c[nH]nc2-c2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 16491859 XPDIOJCEVFMRHH-QQXSKIMKSA-N 398.348 3.810 30 40 GHEB CN1/C(=C\C(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)C(C)(C)c2ccccc21 102803337 SDLGMRWMKHENIJ-ARNBCXLSSA-N 395.499 3.806 30 40 GHEB O=C(O)C[C@H]1S/C(=N/N=C\c2ccccc2Cl)N(c2ccccc2)C1=O 100142639 FNTAFZGMDPTEKN-SHCHFFAMSA-N 387.848 3.653 30 40 GHEB COc1cccc(-c2csc(N/C=C3/C(=O)Oc4ccccc4C3=O)n2)c1 100469796 FFYMOZZKQOOCMY-XNTDXEJSSA-N 378.409 3.916 30 40 GHEB Cc1c(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)oc2c(Cl)cccc12 11125603 IWUODVVWMZTZKB-HXPMCKFVSA-N 376.840 3.994 30 40 GHEB CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OC(C)=O 408758818 RVHDPDQXAPRLCQ-PDGQHHTCSA-N 382.441 3.902 30 40 GHEB CN/C(S)=N\N=C\c1cn(CCOc2ccc(OC)cc2)c2ccccc12 8691771 RWGCAWBFUPGYEE-LPYMAVHISA-N 382.489 3.568 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 6855728 QHHXACJBHQNUOF-FMIVXFBMSA-N 388.514 3.763 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 4944448 FCRHOLHKCNXJOP-SNVBAGLBSA-N 381.379 3.541 30 40 GHEB COc1cc(NC(=O)[C@H](C)Sc2nc(C)c(C(C)=O)cc2C#N)cc(OC)c1 7783530 IHCXYZJNBMRZRO-ZDUSSCGKSA-N 399.472 3.601 30 40 GHEB O=[N+]([O-])c1cc2c(cc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 38204899 WBVLTMFKVBNEJI-SWNXQHNESA-N 398.253 3.697 30 40 GHEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2ccc(F)cc2)c1N 225842737 AZVJWUJHRJUSFY-UHFFFAOYSA-N 385.240 3.878 30 40 GHEB Cc1nc(COc2ccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H]3CO3)cc2)cs1 197803449 UAYRBMFZWOIYTC-ROUUACIJSA-N 390.505 3.865 30 40 GHEB Cc1cccnc1CN1CCC[C@@H]1c1cccc(N=c2[nH]cc(C#N)s2)n1 585294616 SHXGQWKGUQUFAS-GOSISDBHSA-N 376.489 3.616 30 40 GHEB CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 8739377 DJWNRLYXKNIOQP-GOSISDBHSA-N 394.383 3.758 30 40 GHEB CN(C)/C=C(/C(=O)c1cc(F)c(F)cc1Cl)S(=O)(=O)c1ccccc1 100254870 YJEWEJKSWKQUCT-YBEGLDIGSA-N 385.819 3.678 30 40 GHEB CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(C)=O)c2)S/C1=N\c1ccccc1 16949306 BNVLEFPCENDIEC-NKWDDMGQSA-N 395.484 3.869 30 40 GHEB CNC(=S)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 33286720 OGLQRQKNTUIMIQ-NVMNQCDNSA-N 380.882 3.827 30 40 GHEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 103253675 BVKBMUWTEMZLNR-JHJVBQTASA-N 394.397 3.697 30 40 GHEB CC[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(OC)cc1)N(C)C 12528055 VYQDSPVVWIHTOV-QGZVFWFLSA-N 394.504 3.706 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 58156636 UPWWHIHGXYJGLJ-UHFFFAOYSA-N 389.286 3.626 30 40 GHEB C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 2137565 OXTZXOOCKNLCBE-MJGOQNOKSA-N 391.515 3.945 30 40 GHEB biogenic C=CCn1c(C)nnc1SCCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 12822924 SULMIVLXRWJKKV-UHFFFAOYSA-N 386.521 3.509 30 40 GHEB CCN1CCc2c(C#N)c(NCc3ccccc3)nc(N3CCCCC3)c2C1 13764278 KCQIKUXXNYPLOV-UHFFFAOYSA-N 375.520 3.934 30 40 GHEB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 6642631 DFQHPWHFYNVUAJ-UHFFFAOYSA-N 393.226 3.734 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 67109135 WBQRACRLHVNTJF-HOTGVXAUSA-N 390.361 3.637 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7763733 QAHCELFKRLRWGJ-XIKOKIGWSA-N 389.550 3.877 30 40 GHEB CCCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 408537452 FHYFBRIREPTZMO-UHFFFAOYSA-N 388.464 3.574 30 40 GHEB O=C(O)c1cccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2)c1 33850847 FKDCKLIZULYDOY-JJFYIABZSA-N 392.371 3.713 30 40 GHEB C(=N\N=C(N/N=C\c1cccs1)N/N=C/c1cccs1)\c1cccs1 73057806 QDSXVYQCPUYZEZ-JWNCNFOFSA-N 386.531 3.808 30 40 GHEB COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242581707 OCDWQEYIJOLGSI-GUDVDZBRSA-N 375.877 3.745 30 40 GHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2OC)cc1 5900442 ZVQWSACEGRWFSB-UDWIEESQSA-N 384.461 3.906 30 40 GHEB CC(C)C(=O)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F 5481666 VISPEFMAVYIQRR-LDYMZIIASA-N 378.288 3.552 30 40 GHEB CC(=O)Nc1ccc(NCC(=O)Nc2ccc(CC#N)cc2)c(C(F)(F)F)c1 29902780 YPQBDCKFZKXWSK-UHFFFAOYSA-N 390.365 3.780 30 40 GHEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccccc1)NC(=O)C[C@H]2c1ccsc1 4742201 FKCXGFICNWZYQF-TWOQFEAHSA-N 395.480 3.542 30 40 GHEB Cc1nc2c[n+](CC(=O)c3ccc4ccccc4c3)cc(Br)c2n1C 1743209 XTSMKKBNRSMWJL-UHFFFAOYSA-N 395.280 3.968 30 40 GHEB C=CCNC(=O)COC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 2651464 IFVOXDLDGNWPBB-UHFFFAOYSA-N 389.864 3.508 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 12111575 QPGHZAIUCULVHW-LJQANCHMSA-N 377.396 3.547 30 40 GHEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCOCC3)o2)cc1 27795037 UQHZIRAKTSLEFI-SFHVURJKSA-N 378.432 3.600 30 40 GHEB N#Cc1ccccc1COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 6884559 AHLAJJWKXJTRJY-UHFFFAOYSA-N 382.375 3.716 30 40 GHEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(F)c1 5860875 MNRPAROZFRIPHU-OAHLLOKOSA-N 385.464 3.974 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 7779506 ADFUJUVWHYAFLL-SNAWJCMRSA-N 380.347 3.834 30 40 GHEB C/C(=N\OCC(=O)N1[C@H](C)CCC[C@H]1C)c1nc2ccccc2n1C(F)F 9338132 IUIDBAQVTBBOKP-CDXXIJPYSA-N 378.423 3.962 30 40 GHEB C=CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 408627173 YFMLNGVENYVVBR-UHFFFAOYSA-N 398.406 3.730 30 40 GHEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)cc1 224732443 BKFPUVKKBNABCQ-UHFFFAOYSA-N 391.290 3.896 30 40 GHEB CN(C)C(=O)O/N=C/c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695297 YMQZUOUYOFWAAT-SSDVNMTOSA-N 380.370 3.866 30 40 GHEB C=CCn1c(S[C@H](CC)C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 12862094 IWVUIMCELPNWOZ-CYBMUJFWSA-N 392.546 3.957 30 40 GHEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=S)NCc2ccccc2)o1 980693 UIJUUDMSMYTRLR-YDZHTSKRSA-N 393.468 3.951 30 40 GHEB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccc(C)cc4)nc3C#N)CC2)cc1 12418230 GTTSYGANYGPIKQ-UHFFFAOYSA-N 386.455 3.793 30 40 GHEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(-n3cccc3)sc(C)c2C)c1 40151995 DJEOTXRWZKEDBV-UHFFFAOYSA-N 391.496 3.848 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 4892865 ASUUYXFAZQGOMM-YCIYHOANSA-N 397.405 3.575 30 40 GHEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccc(Br)cc1 59154638 MGSALUQXNJZLIS-UHFFFAOYSA-N 395.054 3.980 30 40 GHEB N#Cc1cccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1 24983626 LXBCLPDRJAQMFO-QGZVFWFLSA-N 377.425 3.969 30 40 GHEB COc1cc(OC)c([C@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)cc1OC 20728940 MTORMFRZHVNHPG-NRFANRHFSA-N 393.443 3.918 30 40 GHEB COc1cc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)ccc1OCCC(C)C 8404621 QCGCCTCTYIVAOT-HYARGMPZSA-N 387.480 3.709 30 40 GHEB C=CCN(CC=C)C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 27937504 NRNWUQQQVABQOQ-UHFFFAOYSA-N 392.219 3.742 30 40 GHEB N#Cc1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1Cl 22192420 HUCFGIWIKFLURK-UHFFFAOYSA-N 389.761 3.561 30 40 GHEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1C[C@@H](C)C[C@@H](C)C1 33662622 LSEPNAQHTGVCDR-BBKIPHGLSA-N 382.302 3.716 30 40 GHEB COc1ccc(Cl)cc1NC(=O)NCC#CCN1CCc2ccccc2C1 77197660 QCVBTUHTABKBTJ-UHFFFAOYSA-N 383.879 3.532 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 14091492 ZEWOUCZFSQRWTD-UHFFFAOYSA-N 382.464 3.925 30 40 GHEB O/C(CN1CCC[C@H](COc2ccccc2F)C1)=N\c1nnc(C2CC2)s1 19658598 FALYDNIXPSMCBK-ZDUSSCGKSA-N 390.484 3.934 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)nn3)c2C#N)C1 31795885 QAGOPLXRPKZUJH-SECBINFHSA-N 378.910 3.919 30 40 GHEB N#Cc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1 17078040 WKSMNICVAMJQGY-UHFFFAOYSA-N 382.217 3.727 30 40 GHEB CCOC(=O)CS[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(OC)cc1 100995293 FWLIYCREWDSSQO-ZIBIDDQLSA-N 399.468 3.889 30 40 GHEB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 5094096 YJRNOFNIEGYKTK-CQSZACIVSA-N 378.457 3.872 30 40 GHEB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C#N)CCCC4)n2)c1 5451289 QJALJEXLCZGOBW-UHFFFAOYSA-N 390.468 3.605 30 40 GHEB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 14595984 VLESHGIXWBFMJG-UHFFFAOYSA-N 391.518 3.519 30 40 GHEB CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C 4795076 LPUCBTOGWHABAG-HXJASHHUSA-N 398.529 3.799 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 5938425 MITQPCHAFGXBNY-UHFFFAOYSA-N 396.255 3.800 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)C(C(=O)OCC)=C(C)N2 9569614 TYWBKMRYCXBOQP-INIZCTEOSA-N 397.500 3.751 30 40 GHEB COc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1 35313623 CUTVMCLTETVJNI-UHFFFAOYSA-N 378.409 3.819 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 72391022 WCSGUILWNFMZLY-NRFANRHFSA-N 394.490 3.918 30 40 GHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224747434 JHFPCOVFVNWMIU-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB CCCCCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C 8435182 ZPPJVDPKYODHQQ-FMIVXFBMSA-N 384.933 3.628 30 40 GHEB biogenic C=C(C)Cn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccncc1 16788624 BYPXRLXMOLTILL-UHFFFAOYSA-N 379.489 3.955 30 40 GHEB COc1cccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 30293429 BGEUAXSFTPOTJN-JCMHNJIXSA-N 389.463 3.670 30 40 GHEB CC(C)n1cccc1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 218461175 CKQLSDGUKVXPMO-UHFFFAOYSA-N 378.501 3.905 30 40 GHEB O=S(=O)(O[C@H]1C[C@H]2[C@H]3[C@H]4[C@H]1[C@H]2[C@@H]1[C@H]3CC[C@@H]41)c1ccc(Br)cc1 104289005 BGHXOCMILMODDG-DBCJRHEBSA-N 395.318 3.691 30 40 GHEB COc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 46706975 CMOCGHVRBFPHQY-AWEZNQCLSA-N 379.441 3.774 30 40 GHEB N#Cc1ccc(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1 6462622 MXBLLQRCDWOQGH-UHFFFAOYSA-N 385.423 3.506 30 40 GHEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)[nH]c(=O)c21 5864587 JKOKAELQVQPKOA-HNNXBMFYSA-N 397.500 3.701 30 40 GHEB C=CCSc1nnc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)s1 4912719 CRDNJNXKAOPRFA-UHFFFAOYSA-N 377.520 3.732 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 409126957 IGXLWFKILORWEX-LDADJPATSA-N 396.418 3.882 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)no1 9243792 JBXUHOSIYZMGQC-INIZCTEOSA-N 382.397 3.533 30 40 GHEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1)c1ccco1 3044524 WJSCAPHDNZUHDQ-VXLYETTFSA-N 396.315 3.805 30 40 GHEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(O)c(O)c1 15015476 AZPDGIOSNYXJHE-ZSOIEALJSA-N 391.246 3.752 30 40 GHEB FC(F)c1nnc(S)n1/N=C/c1c[nH]nc1-c1ccc(Br)cc1 6414026 BQXQLISURLDGDM-NGYBGAFCSA-N 399.224 3.539 30 40 GHEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cc(C)n(CC(C)C)c3C)C2=O)cc1 8407925 KSKZTULKYOACNF-YVABFXQFSA-N 396.491 3.571 30 40 GHEB COc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c1O 4603829 VYEMTOFMJGLKBC-NVNXTCNLSA-N 385.401 3.509 30 40 GHEB Cc1ccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc2c1C 2087048801 SNWSVINELUBIRN-IRXDYDNUSA-N 375.501 3.752 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccco1 104210011 UPUHKSHGXKIWEH-GHNGSUTGSA-N 394.814 3.950 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@H]1c1ccccc1 5350397 HKZINJPVGURRHU-IBGZPJMESA-N 398.422 3.884 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1cccs1)c1ccc(F)cc1 6445953 GABQEZRVLDYCJG-ZDUSSCGKSA-N 387.417 3.522 30 40 GHEB Cc1ccc(C[C@@H](C#N)Sc2nnc([C@@H]3COc4ccccc4O3)n2C)cc1 6589283 IRBADADCQQYSON-LPHOPBHVSA-N 392.484 3.863 30 40 GHEB Cc1cccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)c1 8091044 XFNLTMXFPHKLJX-QGZVFWFLSA-N 375.523 3.737 30 40 GHEB COc1ccc(OC)c(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 100325095 PDVRWFFJEUQWBI-LPYMAVHISA-N 397.456 3.650 30 40 GHEB Cc1c(-c2ccc(N/N=C3/C=NC(=N)S3)cc2)c(=O)n(-c2ccccc2)n1C 111910086 YZVDYOKVFVVJCV-SIQIHLARSA-N 390.472 3.629 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc(C(F)(F)F)c2)C1=O 408537497 VSLPQTJLUBAFGE-AWEZNQCLSA-N 389.333 3.615 30 40 GHEB C=CCOc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1Br 408743678 WZDNQNJXANKCPN-RGVLZGJSSA-N 385.217 3.644 30 40 GHEB C#CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC 408937158 MOIKLCDRVCJLAE-XMHGGMMESA-N 388.423 3.539 30 40 GHEB C=CCOc1cccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)c1 59435759 JJXSPPAPCFSWFI-UYRXBGFRSA-N 379.412 3.717 30 40 GHEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102643398 RASBXZXAOUISDR-BCTIHFFESA-N 397.858 3.941 30 40 GHEB COc1cc(/C=N/OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 107445458 HVIZQIDRAPSPDX-DJSDMESYSA-N 396.434 3.588 30 40 GHEB Cn1c(=O)c(C#N)c(-c2ccc(F)cc2)c2cc(C(=O)c3ccccc3O)cnc21 14138752 CVISKUYVPHNHFH-UHFFFAOYSA-N 399.381 3.548 30 40 GHEB C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409103456 HBZPQNWBBSHSOV-UKTHLTGXSA-N 396.262 3.526 30 40 GHEB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC#N)SC1=S 409007351 PMNBSAHIFSRWAK-WQLSENKSSA-N 383.292 3.573 30 40 GHEB COc1ccc2occ(/C=C3/Cc4cc(OC)c(OC)cc4C3=O)c(=O)c2c1 85875134 UMQKMQFPXVIXGF-QPEQYQDCSA-N 378.380 3.641 30 40 GHEB biogenic COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3cccc(C)c3)n2)o1 223671591 RKZDEKZNDNSLLR-UHFFFAOYSA-N 394.456 3.502 30 40 GHEB O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccccc1O)c1sc(=O)[nH]c1S2 96300087 VNRNZTSGJZBCHH-ZDUSSCGKSA-N 393.445 3.713 30 40 GHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(F)cc1 5864558 AZXHSQACRUSXBK-AWEZNQCLSA-N 385.464 3.832 30 40 GHEB N#Cc1ccccc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 16154405 UNUBDOCDVBAMMT-UHFFFAOYSA-N 380.454 3.735 30 40 GHEB COc1ccc(/N=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(OC)c1 100332888 AJYZSKLUSDIBBD-VXLYETTFSA-N 399.432 3.642 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cnc2ccccc2c1 58142027 OAFDTKAJPNNEJH-HNNXBMFYSA-N 375.428 3.649 30 40 GHEB Cc1c(Br)c2ccccc2n1CC(=O)NCC#Cc1ccccc1 58382283 PVEKUNQWNODDSG-UHFFFAOYSA-N 381.273 3.880 30 40 GHEB Oc1ccc(/C=N/N=c2/[nH]c(-c3ccc(Br)cc3)cs2)c(O)c1 59099002 DUSDEWPPKAQRPK-QGMBQPNBSA-N 390.262 3.852 30 40 GHEB O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 13778145 FOFKTTYAFKYQOI-LLLGHMJXSA-N 377.396 3.690 30 40 GHEB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)NC1(C#N)CCCCC1 14812102 YMTUYHCRDFSXSR-OFAQMXQXSA-N 377.444 3.522 30 40 GHEB C=CCc1c(OCC(=O)OC)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 8792558 YDEVNCDXPHIVES-UHFFFAOYSA-N 398.418 3.872 30 40 GHEB biogenic C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OCC 409107944 YQECHACGNHWJRZ-RVDMUPIBSA-N 377.849 3.973 30 40 GHEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1 9420306 KBLCRYWJLRZDRK-MOSHPQCFSA-N 395.411 3.533 30 40 GHEB COc1cc2c(cc1/C=N/c1ccc(I)cc1)OCO2 409114035 ICGBZCMZZOGHBY-CAOOACKPSA-N 381.169 3.779 30 40 GHEB COc1cc(N2CCCC2)c(OC)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 408591291 JLMNUHSUHHJVLV-FYJGNVAPSA-N 385.420 3.763 30 40 GHEB CC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 13693052 QGVCKJSOINSMCS-UHFFFAOYSA-N 375.453 3.729 30 40 GHEB COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OCC#N 9972521 GXDLRJHHGQTUDU-PDGQHHTCSA-N 379.441 3.988 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(F)cc2)C1=O 409052584 KXAUHCHMVQJBMJ-VBKFSLOCSA-N 397.427 3.687 30 40 GHEB S=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)Nc1ccccc1 408857342 MAHMXZSFKNRCMS-WQRHYEAKSA-N 393.310 3.963 30 40 GHEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1C 6673130 PPDRIXJSKSVQHN-UHFFFAOYSA-N 378.428 3.941 30 40 GHEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 4837563 LBRBZPLTNHPZMG-BBWFWOEESA-N 379.508 3.636 30 40 GHEB CCN(CC)C(=O)COc1ccc(/C(C)=N/Nc2ccccc2[N+](=O)[O-])cc1 5851128 YDLDYIMITZCDMM-RCCKNPSSSA-N 384.436 3.678 30 40 GHEB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 6915714 LITOSPHUKRPHAN-UHFFFAOYSA-N 398.418 3.893 30 40 GHEB CNc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 8175165 BDFZGOJXLTYDPE-VIFPVBQESA-N 393.563 3.901 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408796636 BEJFUVSMXHUBLF-QGOAFFKASA-N 376.412 3.535 30 40 GHEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1C 408928375 AMPMUEIMJVMOGM-QSAFIDALSA-N 383.429 3.706 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccco1 20191676 NBSPULMGFRTADR-IBGZPJMESA-N 382.460 3.508 30 40 GHEB COc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(C(C)C)cc2)S1 16676493 KYBDLMPQSFUZLK-PPRFWAEMSA-N 381.501 3.983 30 40 GHEB CCSc1nnc(/N=C(\O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)s1 40134523 ISVLBPADXXHMME-UHFFFAOYSA-N 393.469 3.556 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccco1 795018 YVDUGMMVJRLCSP-SJCJKPOMSA-N 387.819 3.690 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccc(C)cc2)[C@H]2C[C@]1(C)Oc1ccccc12 4145043 ITYCOBHEGFQMOE-NOXFTYBFSA-N 376.456 3.860 30 40 GHEB COc1ccccc1[C@@H]1N/C(=N/c2cccc(C)c2)N=C2N=C(C)C=C(O)N21 8741211 CLQRXHJCCVPROQ-LJQANCHMSA-N 375.432 3.825 30 40 GHEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(OC)cc3)N(C)C)o2)cc1 27793547 IJFQXSKWBPNCFA-FQEVSTJZSA-N 392.459 3.945 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)no1 5800492 HJWNBNZHQUEZCH-GOSISDBHSA-N 378.359 3.905 30 40 GHEB Cc1cc(C)nc(N/C(=N/c2ccccc2)NC(=N)/N=C(\O)c2ccccc2)n1 5849207 AQWHOFGHKQYZKM-UHFFFAOYSA-N 387.447 3.722 30 40 GHEB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1ccc(C#N)cc1F 96002695 FMELMANKPOMQLA-QGZVFWFLSA-N 396.388 3.647 30 40 GHEB Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 112254765 ZTSPBPNDBJBNIK-UHKPRWGTSA-N 386.451 3.715 30 40 GHEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224746855 PZZGBOYKPPYGKT-UHFFFAOYSA-N 386.351 3.995 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 224372462 JAEXKBGCEYDRCJ-UHFFFAOYSA-N 393.468 3.715 30 40 GHEB C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226279006 IYQNWMZSZGBOEU-UHFFFAOYSA-N 384.398 3.791 30 40 GHEB CSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 17028787 VRVAPVCXDIPDCB-OAHLLOKOSA-N 385.449 3.566 30 40 GHEB C=CCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 2315065 SJSATWVCRAQEHI-FOKLQQMPSA-N 378.819 3.978 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(F)cc2)no1 8996682 CLAVHHPRNNMEKZ-KRWDZBQOSA-N 382.347 3.806 30 40 GHEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC 8692111 WZPLTXUUYBEMBD-FQEVSTJZSA-N 394.496 3.936 30 40 GHEB aggregator C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc(F)ccc1Br 48368264 TYTYHSKVMQZMLN-LLVKDONJSA-N 377.213 3.544 30 40 GHEB C[C@@H](/C(O)=N/c1ccccc1OC(F)F)N(C)CC(=O)Nc1ccc(F)cc1 82108694 UEGFCQAEGFCASL-LBPRGKRZSA-N 395.381 3.974 30 40 GHEB N#CC1(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)CCCCC1 4846864 YVMVIJRSBZNLCV-UHFFFAOYSA-N 376.456 3.777 30 40 GHEB COC(=O)c1cccc(/N=C/c2ccc(O)c(I)c2)c1C 408962885 KXVQHHZTTYQAHV-GIJQJNRQSA-N 395.196 3.842 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/N=C2\N=C(O)[C@@H](Cc3ccccc3[N+](=O)[O-])S2)c1 9359395 PKGFZIGMOSHTTC-BFERYNQYSA-N 399.388 3.508 30 40 GHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182413 IZGKCKMKJIBZRC-JMIUGGIZSA-N 377.396 3.736 30 40 GHEB COC(=O)COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409097376 IGUCFABMUKAIQQ-ZVBGSRNCSA-N 397.309 3.611 30 40 GHEB Cc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c1 35311882 IKPFXIXNIQPZAB-UHFFFAOYSA-N 377.425 3.874 30 40 GHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(N)=O)cc1 408911475 NMBHEUMZPBFUHG-UUYOSTAYSA-N 377.404 3.547 30 40 GHEB COc1ccc([C@@H]2C(C(C)=O)=C(O)[C@@](O)(CC(C)=O)N2c2ccc(C)cc2)cc1 221808120 DUFCKHOZQAMOGV-GGAORHGYSA-N 395.455 3.634 30 40 GHEB COc1ccc(/C=C2\SC(=S)N(/N=C/c3ccc(OC)cc3)C2=O)cc1 13659647 IJYFZVKHEOGKFS-XAJBPTSZSA-N 384.482 3.939 30 40 GHEB O=c1c(/C=N/C2CCCCC2)c(C(F)(F)F)[nH]n1-c1ccc([N+](=O)[O-])cc1 2490593 SUGJRUCQGCTPCI-UFFVCSGVSA-N 382.342 3.844 30 40 GHEB O=C1/C(=N/Nc2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccccc1 100437517 LCZVHNJDPCUOOX-DARPEHSRSA-N 384.395 3.634 30 40 GHEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc([N+](=O)[O-])c1O 59145598 LNAOLYIWEYTKKY-GDNBJRDFSA-N 385.401 3.591 30 40 GHEB C/N=C1/S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)N1C 101503824 JZIPSTWSXZWTJW-QLHXNQQISA-N 395.484 3.544 30 40 GHEB N#Cc1c(NC(=O)CSc2nnc(-c3ccccn3)o2)sc2c1CCCC2 4488127 HLBFATYSULOQCI-UHFFFAOYSA-N 397.485 3.674 30 40 GHEB COc1ccc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(OC)c1 96456556 OYORJINEVFRMJM-CIAFOILYSA-N 395.455 3.741 30 40 GHEB C=C(C)Cc1c(C)nn(CCC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)c1C 524734486 JZDBSQYSFAXNNS-FQEVSTJZSA-N 397.519 3.830 30 40 GHEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224978870 INFGIISHSSNKJB-UHFFFAOYSA-N 379.503 3.807 30 40 GHEB N#C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 596736955 UKQAPWIMQPLRFT-APWZRJJASA-N 397.500 3.864 30 40 GHEB CSc1ccc2nc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)sc2c1 2087050520 NSWKYULMHBNCFD-HUUCEWRRSA-N 393.541 3.857 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 17920678 ZAZKSVPGZDKBSD-GOSISDBHSA-N 394.383 3.676 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 4566119 NCCZHVZRRIMXQV-RJJVWVDVSA-N 397.858 3.603 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)n1 6606682 KTUCQRNQSIINTD-VIFPVBQESA-N 398.300 3.770 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2C1=O 7485979 NYDABPLXDDXIJJ-UHFFFAOYSA-N 397.843 3.984 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 100199212 KNCBQTFWQZHXCK-HIBCFTACSA-N 398.462 3.653 30 40 GHEB COc1cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)ccc1OCC#N 9973227 YUDZIMDQASEMBB-PDGQHHTCSA-N 379.441 3.988 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)(C)C)cc1 102519912 HTLJRGGULVRFKO-WOOAAIBNSA-N 397.471 3.954 30 40 GHEB COc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc(OC)c1OC 1786535 ALPXEBXODWNXBJ-BOPFTXTBSA-N 384.457 3.912 30 40 GHEB Cc1cccc(C)c1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3250970 KGZXZGJXMVOAQB-UHFFFAOYSA-N 378.815 3.916 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1Cl 3367390 WPAHCYMPNCUKLH-UHFFFAOYSA-N 384.606 3.709 30 40 GHEB CCOC(=O)C1=C(C)OC(=S)[C@@H](C#N)[C@@H]1c1ccc(Br)cc1 5716770 PDXFKHDRRYBRGR-JSGCOSHPSA-N 380.263 3.867 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 18940982 RYGAVVRIQYNNTI-UHFFFAOYSA-N 386.882 3.995 30 40 GHEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 32788709 RGFFHCJBGPFEEG-NRFANRHFSA-N 389.430 3.707 30 40 GHEB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1 16678505 CTCPFZFLIMLZCC-NMWGTECJSA-N 392.459 3.571 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccccc1 4717925 CUYCJFPTSKHURM-AVYPCKFXSA-N 395.480 3.542 30 40 GHEB COc1ccc(/C(C)=N/N=c2/[nH]c(-c3ccc(O)cc3)cs2)cc1[N+](=O)[O-] 14920408 HPJASIXALDHRDM-RGVLZGJSSA-N 384.417 3.691 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1Cl)c1ccccc1 17138493 VOMMFMLTQUMMTK-KRWDZBQOSA-N 391.814 3.913 30 40 GHEB COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1Br 6736682 CJYIEVIBEWAQDB-CAOOACKPSA-N 381.182 3.831 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCCCC2)nc1 32883892 JEMUQMMBMGFVIJ-UHFFFAOYSA-N 375.432 3.888 30 40 GHEB CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)cc(Cl)c1 100257112 SCPZAFBBQJVDAI-GFCCVEGCSA-N 381.259 3.711 30 40 GHEB CCCCc1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4738549 GPYXHILDMUQCRY-ZMPUUUETSA-N 381.407 3.770 30 40 GHEB Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200639 BTHWJZMYYVXPRQ-PIGZYNQJSA-N 397.891 3.991 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(Cl)c1 6813281 VWZGLKXVLDRPFQ-QGZVFWFLSA-N 389.835 3.856 30 40 GHEB C=CCn1c(C)cc(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1C 7159310 UIRLKOFSXBXRIG-UHFFFAOYSA-N 397.471 3.809 30 40 GHEB C=CCn1cc(Br)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 95995719 DURBELOHDFWVQU-UHFFFAOYSA-N 396.310 3.511 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 409059027 OEAKOIPEQQTQSS-UYRXBGFRSA-N 395.436 3.957 30 40 GHEB Cn1cc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c2ccccc21 5023497 AVJVADVFLYYSHX-YHBROIRLSA-N 385.427 3.687 30 40 GHEB C=CCNc1nnc(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)s1 11527210 LPWWJXRPGRMEQA-UHFFFAOYSA-N 389.506 3.815 30 40 GHEB Cc1cccc(Cn2cccc(C(=O)Nc3cc(Cl)ccc3C#N)c2=O)c1 5269662 GQYLLZVMFQFQRA-UHFFFAOYSA-N 377.831 3.982 30 40 GHEB COCc1cc(C)nc(N/N=C/c2ccc(OC)c(Br)c2)c1C#N 4725731 RTRVBBMKSMLRHS-AWQFTUOYSA-N 389.253 3.625 30 40 GHEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1OC)C2 100765798 SHXYWAPSDQKEMD-PMACEKPBSA-N 377.484 3.722 30 40 GHEB C=CCC(CC=C)(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 647064 WREQMGBGQGKGQB-UHFFFAOYSA-N 384.501 3.971 30 40 GHEB O=S(=O)(c1ccc(/N=C/C(Cl)=C\c2ccccc2)cc1)N1CCOCC1 33743406 ADCWLERGZBIASQ-LBNBPBRMSA-N 390.892 3.690 30 40 GHEB COc1cccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c1O[C@H](C)C(=O)O 409232687 BHIWHYIFGZTKAO-ZHLXBYETSA-N 377.780 3.649 30 40 GHEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1Br)OCO2 8710462 LVLZFQAIZFICAH-QGZVFWFLSA-N 387.233 3.930 30 40 GHEB C=CCOc1ccc(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)cc2)cc1 9376790 XRROPMYPQKWWDN-UHFFFAOYSA-N 394.500 3.934 30 40 GHEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)cc1 409124523 ATBXBOKYWBNTNG-UYRXBGFRSA-N 397.475 3.862 30 40 GHEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(SC)cc1 224989320 BEGCTEMNNVXBLJ-UHFFFAOYSA-N 391.514 3.885 30 40 GHEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCCC1)C2 585106562 AZWQENBOBBBZLL-QHCPKHFHSA-N 376.504 3.886 30 40 GHEB N#Cc1c(Cl)nsc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 51881155 MBNIACGDTKKXLP-AWEZNQCLSA-N 383.304 3.807 30 40 GHEB COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCc1ccc(F)cc1 166145790 SKRKJAYEFZYJAV-AWQFTUOYSA-N 390.461 3.608 30 40 GHEB N#Cc1c(NC(=O)COc2cccc(Br)c2)sc2c1CCC2 2495495 FOFIWIICPDCWIH-UHFFFAOYSA-N 377.263 3.888 30 40 GHEB CC(=O)Nc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409101063 PEQGBHJQNSPKOI-CAOOACKPSA-N 378.182 3.772 30 40 GHEB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@](C#N)(C(N)=O)[C@H]2C=Cc3ccccc3N12 5163134 RGXNFWVSZRVNRW-IZZGNVEXSA-N 399.494 3.665 30 40 GHEB COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1OC(C)C 4536405 VAGMGDMHJOMKSU-SRZZPIQSSA-N 376.420 3.748 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 9476824 XSXGCELOAOBJGT-UHFFFAOYSA-N 384.606 3.709 30 40 GHEB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 95995997 CLOQRPKGRAOAKO-JKSUJKDBSA-N 383.414 3.978 30 40 GHEB Oc1cccc(/C=N\Nc2nnc(N/N=C/c3cccc(O)c3)c3ccccc23)c1 31670014 GWXOMCKJFPEHFY-NQGGHMMCSA-N 398.426 3.933 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 1529337409 IUVVCKYNMGDRRT-SVPHIWEVSA-N 392.842 3.987 30 40 GHEB C=CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OC)c1 226307354 ULOFOMGLBCVSLY-UHFFFAOYSA-N 376.792 3.919 30 40 GHEB CCc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102497720 PFMUDPMODDBDTL-FXZWFTQCSA-N 397.496 3.911 30 40 GHEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccco1 24672144 VEILBEIYWGVRQW-LJQANCHMSA-N 376.497 3.856 30 40 GHEB N#CC1(C#N)C(N)=C(C(=O)O)C2=CCCC[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 1055159 MEZXQYPDQNNHAC-HOCLYGCPSA-N 387.361 3.860 30 40 GHEB COc1ccc(CCC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 10671987 SCLQYZYVOSIAMD-UHFFFAOYSA-N 384.501 3.600 30 40 GHEB O=C(OCC(F)(F)C(F)F)c1ccc(C(=O)OCC(F)(F)C(F)F)cc1 2317904 IVSXWOAUBZZDJA-UHFFFAOYSA-N 394.214 3.801 30 40 GHEB C#CCOc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1OC 4689974 YMQNSYLBYMNILC-ZROIWOOFSA-N 384.229 3.962 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O 4816397 YVJBIEPPFDKSLT-UHFFFAOYSA-N 382.844 3.683 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(F)c2F)cc1 6820289 PZTLRDVVLAAMAS-CJNGLKHVSA-N 383.394 3.978 30 40 GHEB C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)s1 9108566 HIXMYHKMCBCPKN-UHFFFAOYSA-N 379.850 3.828 30 40 GHEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2cccc(F)c2)c1N 225841974 PEJLLMGGOSTOHI-UHFFFAOYSA-N 385.240 3.878 30 40 GHEB COc1ccc(CCNc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1 2405429 HJVAOXORVJCEJD-UHFFFAOYSA-N 379.416 3.894 30 40 GHEB CCC(=O)C1=C(c2ccc(Cl)c(Cl)c2)N(C(=O)CC)n2cnnc2S1 4518333 AOFHMGOURXQKHU-UHFFFAOYSA-N 397.287 3.913 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 7985629 NTGFGHHOFCKXFA-UHFFFAOYSA-N 376.913 3.911 30 40 GHEB CCCNC(=O)c1c(/N=C/c2ccc(COc3ccccc3C)o2)cnn1C 2798327 WEMUTVPYRHZXNM-FSJBWODESA-N 380.448 3.791 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCSc2ccccc21 24904347 KUPXAVGNEISTEQ-UHFFFAOYSA-N 391.500 3.679 30 40 GHEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 409249175 SOCWHQRFQKXFRV-UDWIEESQSA-N 375.812 3.844 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1O 409242016 ZXTMQTUCCOFXAM-WOJGMQOQSA-N 378.428 3.531 30 40 GHEB C[C@@H]1[C@H](O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@H]([C@@H](C)OCCO)[C@@]12C 118922816 QYNFANMFCUHLFE-MVMTYPKWSA-N 390.564 3.749 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccc2Cl)cc1 19138574 WHNVHCDOJNDFRZ-FZKQIMNGSA-N 385.847 3.608 30 40 GHEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C/C(=O)c1cc2ccccc2o1 8944356 IAOXFMSUNWYDBU-KXPUMZMLSA-N 384.457 3.502 30 40 GHEB Cc1ccc(C2(c3ccc(C)cc3O)OS(=O)(=O)c3ccccc32)c(O)c1 84403383 IDZSDOZKMHWZGH-UHFFFAOYSA-N 382.437 3.725 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c2C)cc1 408589639 MIORZZAOSQQVJQ-QMLOXAIHSA-N 399.494 3.790 30 40 GHEB CCOc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N 35291542 HNSYXSWPBWRTFE-UHFFFAOYSA-N 388.471 3.964 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCO3 35312310 VTXXZAYWZUFHAZ-UHFFFAOYSA-N 381.388 3.705 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38855757 NZJCWKKIQMDXFI-GOSISDBHSA-N 395.478 3.592 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224704342 SBMUFRSNGINBAQ-UHFFFAOYSA-N 379.865 3.898 30 40 GHEB Cn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 879568 YPZULNPRILJHAQ-LLVKDONJSA-N 389.550 3.630 30 40 GHEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1COc1ccccc1[N+](=O)[O-] 8511542 SOCZDGWRRLMYGJ-VXLYETTFSA-N 399.432 3.627 30 40 GHEB CCn1c2ccccc2c2cc(/C=N/Nc3ncnc(N)c3[N+](=O)[O-])ccc21 5446939 RGIMGGMOGDKSAU-AUEPDCJTSA-N 375.392 3.541 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)s1 6813468 VMJGFBJGOVMCQS-CQSZACIVSA-N 383.454 3.691 30 40 GHEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1OC 408705281 BDQRFYSMYTYVQM-GOSISDBHSA-N 394.471 3.585 30 40 GHEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1C 409337144 YBLUPAXDJGGTKS-REZTVBANSA-N 397.412 3.832 30 40 GHEB CN1C/C(=C/c2ccc(N(C)C)cc2)C(=O)/C(=C\c2ccc(N(C)C)cc2)C1 31667349 KFJPMPQKBODYEB-SIBCGJTDSA-N 375.516 3.800 30 40 GHEB N#Cc1c(OCc2ccccc2)nn(Cc2ccc(Br)cc2)c1N 225843526 VVZRYCJVRUMGDS-UHFFFAOYSA-N 383.249 3.727 30 40 GHEB COc1cccc(OCc2nc(SCc3ccccc3)nc(N)c2C#N)c1 223692737 JILZDCWUBFJZEJ-UHFFFAOYSA-N 378.457 3.810 30 40 GHEB N#Cc1ccc(S(=O)(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 219358575 DJXZFGAUWJPIAU-SFHVURJKSA-N 394.468 3.705 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)OC1CCCCC1)OCCO3 1355114 FXBOGTVQDFMJIF-UHFFFAOYSA-N 384.457 3.846 30 40 GHEB COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2nc(C)nn21 8559775 POTOFOVMNLQOIP-XCLFUZPHSA-N 376.416 3.604 30 40 GHEB Cc1cc(C)n2nc(CCCNC(=O)c3csc4c3CCCC4)c(C#N)c2n1 32913232 WDFWSSKHJHSUAW-UHFFFAOYSA-N 393.516 3.521 30 40 GHEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCC(=O)O 9197313 OQIGZALUSYQWIX-ZVBGSRNCSA-N 397.258 3.979 30 40 GHEB CCOC(=O)c1c(C)oc2c1/C(=C\NC[C@@H]1CCCO1)C(=O)c1ccccc1-2 103164165 NSZUXCORWBQNJQ-IQGJIOQQSA-N 381.428 3.738 30 40 GHEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 5155907 OVVXTTDGCCCFCJ-CXUHLZMHSA-N 386.517 3.679 30 40 GHEB COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4814163 UFFWEPNRWQMYFV-SZNDQCEHSA-N 390.418 3.842 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2)cc1 5800693 JQABHQTYEDVZIT-QGZVFWFLSA-N 391.452 3.938 30 40 GHEB C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OC)c1O 19973742 FMKQMVIUOYJBRP-UHFFFAOYSA-N 379.456 3.830 30 40 GHEB C=CCOc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 38772014 YHJZZQDDMYUJII-UHFFFAOYSA-N 380.853 3.529 30 40 GHEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 408892308 HYRFPPFPACKGJT-WSDLNYQXSA-N 392.371 3.664 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 72391021 WCSGUILWNFMZLY-OAQYLSRUSA-N 394.490 3.918 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](CCC)C(=O)O)C2=O)cc1 2437011 CPFLMPVQFKYZFT-ADVGAGMGSA-N 377.487 3.706 30 40 GHEB CCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CC)n2c(CC)nnc2S1 4518313 MNVKFXKCMLSTAJ-UHFFFAOYSA-N 384.505 3.786 30 40 GHEB O=C1N/C(=N\N=C\c2cccnc2)S[C@H]1Cc1ccc(SC(F)F)cc1 6251487 MDZXZLAUBVXCAV-MNUWJXFPSA-N 392.456 3.561 30 40 GHEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409321154 FGBNUCSGCKLPCT-UHFFFAOYSA-N 385.265 3.779 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)no1 5800525 ARHCITKVWVTSBY-INIZCTEOSA-N 384.388 3.967 30 40 GHEB COc1ccccc1NC(=O)/C(=N/OCc1cccc2ccccc12)C(C)=O 7975402 CCGPTPIEBBJCSP-DARPEHSRSA-N 376.412 3.949 30 40 GHEB O=C(O)COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 7909496 CPGPMBAGULVSHM-FARCUNLSSA-N 388.803 3.861 30 40 GHEB N#Cc1ccc(OS(=O)(=O)Cc2ccc(Cl)cc2Br)cc1 95452561 HPWAYWPYVXJSPS-UHFFFAOYSA-N 386.654 3.883 30 40 GHEB COc1cc(/C=C2\SC(=Nc3ccc(OC)c([N+](=O)[O-])c3)NC2=O)ccc1C 408993652 WYJOIFSYOIDBEH-MFOYZWKCSA-N 399.428 3.812 30 40 GHEB COc1cc([C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(C)C 32831164 RTXMSYOERCQBLK-HNNXBMFYSA-N 388.489 3.641 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C#N)[C@@H]2c2ccc(Br)cc2)cc1 218225975 IQUCXSAAPCXLAT-IXDOHACOSA-N 376.275 3.837 30 40 GHEB CC(=O)Nc1s/c(=N\N=C/c2cccc([N+](=O)[O-])c2)[nH]c1-c1cccs1 31911695 FUUTUXSLNPGWMX-MFOYZWKCSA-N 387.446 3.606 30 40 GHEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(C[C@@H](C)CC2=O)N1 4803019 VTJWJIFDCLPSOY-ASSNKEHSSA-N 388.471 3.638 30 40 GHEB COc1ccc(CCN(/C=C2\Sc3ccccc3C2=O)C(C)=O)cc1OC 13108072 BROREELEBJHSBL-MOSHPQCFSA-N 383.469 3.925 30 40 GHEB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18196242 KCTYMXTWPYUJTL-DIFFPNOSSA-N 397.891 3.991 30 40 GHEB COC(=O)/C=C1/S/C(=N\c2ccc(F)c(F)c2)N(Cc2ccccc2)C1=O 4680898 FEHNCUYLJUEUKI-HDKKRFQTSA-N 388.395 3.785 30 40 GHEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8728624 ABPCOVJZOJIIAR-XJKSGUPXSA-N 383.473 3.555 30 40 GHEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 95444063 ANDVLOWXDMQWCQ-CQSZACIVSA-N 390.468 3.941 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccs1 20191190 NBTWJVFUDIEENG-LJQANCHMSA-N 398.528 3.977 30 40 GHEB COc1cccc(NC(=O)COc2nc(CC(C)C)c3c(c2C#N)CCC3)c1 32088139 UXRGZRCWBMGVHM-UHFFFAOYSA-N 379.460 3.667 30 40 GHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(OC)cc1 101393461 DDIQPLNPGIBUCH-MBOBHEEDSA-N 383.473 3.675 30 40 GHEB COc1cc(/C=N/c2ccccc2N2CCOCC2)cc(Br)c1O 4738903 SQVKDOZIFFKZED-UDWIEESQSA-N 391.265 3.751 30 40 GHEB O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)/C1=C(\O)c1ccccc1 102533715 ZFPJXLLEDDWICV-LFVOPCPISA-N 375.380 3.607 30 40 GHEB CCCCOc1ccc(C2=NOC(=O)/C2=C\c2cccc([N+](=O)[O-])c2O)cc1 100245449 NPDNREXJGARUMP-VBKFSLOCSA-N 382.372 3.824 30 40 GHEB biogenic,in-vitro Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C#N 37170588 IHVXPWNZPJOWCL-CYBMUJFWSA-N 384.480 3.812 30 40 GHEB COc1ccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)cc1 59109376 OBWKPKLQIQPXEG-UHFFFAOYSA-N 384.233 3.923 30 40 GHEB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c2C)cc1 4297734 KIEKBRLECSRDBG-UHFFFAOYSA-N 393.487 3.902 30 40 GHEB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1sccc1C#N 7876686 VJKIOGWAVJXPIL-LLVKDONJSA-N 396.501 3.727 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)c1 96336507 SBOPMOHOEBERNN-OAHLLOKOSA-N 398.465 3.996 30 40 GHEB C#CCN1CCCC[C@H]1C(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 72284847 FLRKONFLBFSADV-KDOFPFPSSA-N 385.508 3.923 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 30969721 SPNKEDCIOWRWAX-WMZOPIPTSA-N 384.549 3.842 30 40 GHEB Cc1cccnc1CN1CCC(c2csc(=Nc3ccc(C#N)nc3)[nH]2)CC1 585295281 SQNBNOMNYUGWDK-UHFFFAOYSA-N 390.516 3.658 30 40 GHEB CCOC(=O)c1c(C)[nH]c(C2=NN/C(=N\c3cccc(OC)c3)SC2)c1C 7849847 TXCCQDAYYDMAIY-UHFFFAOYSA-N 386.477 3.545 30 40 GHEB COc1ccc(CNC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 915347 BEMRQHGQJFKROM-UHFFFAOYSA-N 377.469 3.832 30 40 GHEB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccccc3C#N)n2)cc1 2640912 NOOPFJUDEFHFLU-UHFFFAOYSA-N 392.440 3.658 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccccc2)no1 102722075 BIJVONOQMCCBFE-GHNGSUTGSA-N 378.359 3.748 30 40 GHEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC(C)=O)ccc3C1=O)cn2C 28182552 YGHMDBQIGVFLAF-WNFQYIGGSA-N 377.396 3.771 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1nc2ccccc2s1 3319911 VALNSESUQBYSKO-UHFFFAOYSA-N 399.859 3.936 30 40 GHEB CC(C)Cn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 6537966 LUVFQDIGAWXTIZ-UHFFFAOYSA-N 392.484 3.655 30 40 GHEB CCCc1ccc(CN2CCC[C@@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)o1 585294313 PKZDUTJMKYHDKP-OAQYLSRUSA-N 388.475 3.791 30 40 GHEB C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 100975165 FRTOGEQNVZUISY-YFUPBZDXSA-N 380.878 3.553 30 40 GHEB COc1cc(C#N)ccc1OC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 15988288 MUKQHEVEFBONQI-UHFFFAOYSA-N 380.444 3.590 30 40 GHEB COc1cccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1OC 16039491 IJYGJKUWMLXRCG-BDTNDASRSA-N 399.450 3.694 30 40 GHEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1cc(C)on1 102804286 XWRLFZXZWCGFOB-LFVOPCPISA-N 390.395 3.618 30 40 GHEB Cc1n[nH]c(=S)n(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1=O 8228545 ZGVXOBNOEWZPPZ-CAOOACKPSA-N 391.250 3.514 30 40 GHEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccc(Cl)cc1Cl 408537536 WAYKIXMLBAJHAH-PCVQNBPASA-N 394.258 3.579 30 40 GHEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1cccc(O)c1 408752408 GYOPKMOXXIWGRL-VGOFMYFVSA-N 375.793 3.845 30 40 GHEB CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)ON=C1C 409093101 XKVJWLTUWUCMMF-YHYXMXQVSA-N 389.043 3.926 30 40 GHEB CC(=O)C1=C(C)CC[C@@](CC[C@]2([N+](=O)[O-])CCC(C)=C(C(C)=O)C2)([N+](=O)[O-])C1 18128948 LSYLXJKNHAOQKI-BGYRXZFFSA-N 392.452 3.976 30 40 GHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)c(OC)c1)C2=O 20624588 RYSAFJSSOFUDPQ-NDENLUEZSA-N 383.444 3.867 30 40 GHEB CC/C(=N\OC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)c1cccs1 1187069 QPEDNGNGJWSPCN-XDHOZWIPSA-N 377.418 3.580 30 40 GHEB CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)c1 4541137 RCIHQAGNYZTZMR-LJQANCHMSA-N 399.443 3.602 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1 102584344 PBOQMBKQRZLVPL-NHFXJNLRSA-N 395.455 3.931 30 40 GHEB O=C1N/C(=N/Cc2ccccc2)[C@H](NCc2ccccc2)N1Cc1ccccc1 57291961 UGPFZJGBSWCHIC-HSZRJFAPSA-N 384.483 3.926 30 40 GHEB COc1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409093707 APCDCKGKRRDBMH-UFWORHAWSA-N 384.270 3.976 30 40 GHEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 5377553 JGFPNJSYGPHTKC-JAIQZWGSSA-N 393.420 3.774 30 40 GHEB Cc1cccc(COc2cccc(C=Nn3c(O)nc4ccccc4c3=O)c2)c1 409360328 PCOTXAATWZWINU-UHFFFAOYSA-N 385.423 3.872 30 40 GHEB COC(=O)c1cccc2[nH]cc(C[C@@H](C#N)C(=O)Nc3cccc4ncccc34)c12 62001546 CLZHRMKKIMTMPS-AWEZNQCLSA-N 398.422 3.824 30 40 GHEB biogenic C=CCc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1OC 408705282 BDQRFYSMYTYVQM-SFHVURJKSA-N 394.471 3.585 30 40 GHEB COCCN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409041951 WNVWXHGPEKFXMT-UHFFFAOYSA-N 396.443 3.655 30 40 GHEB N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 538690777 MYFPNPFJCNEZHZ-UHFFFAOYSA-N 382.383 3.783 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648771 RGWGKRYTQJXCPT-GUDVDZBRSA-N 393.867 3.965 30 40 GHEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(N)=O 6047824 NLSGOCCALXVUHU-FOKLQQMPSA-N 383.473 3.512 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)no1 5800543 KRFDEAXWCHZGTH-SFHVURJKSA-N 378.359 3.905 30 40 GHEB O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\O)[C@@H](O)c1ccc(Cl)cc1Cl 17211438 FTSMJSLJKOUTRA-NSMHLIOHSA-N 398.633 3.795 30 40 GHEB Cc1nc2sc(C(=O)Nc3cc4c(cc3C#N)OCO4)c(N)c2c(C)c1C 4708457 QKFVFMVGWWYUOE-UHFFFAOYSA-N 380.429 3.656 30 40 GHEB COc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608186 PLZIEWGKTRXULA-BJOHPYRUSA-N 378.354 3.574 30 40 GHEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 10136613 GCGNAHYXWMQHNQ-JTQLQIEISA-N 399.394 3.944 30 40 GHEB CCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)c(C)c1 32828766 SVORPZGAWVRYFX-SFHVURJKSA-N 380.473 3.717 30 40 GHEB COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 811660 PONKUMVXUVJVID-UHFFFAOYSA-N 376.460 3.764 30 40 GHEB C=CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1ccncc1 10007709 XULMWDQIRXMKPO-UHFFFAOYSA-N 389.484 3.993 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O 3406088 SDZPUYXWLBXHFP-UHFFFAOYSA-N 391.496 3.802 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 18197371 YXBIBRAWAVPYQB-XIKOKIGWSA-N 393.428 3.664 30 40 GHEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 4331428 QEZPFBRMLRVOMW-CQSZACIVSA-N 381.505 3.766 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(F)c1 4472950 RFWSWBZJKUEAMF-YUCJCZDXSA-N 375.400 3.555 30 40 GHEB COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 4575663 DXLCDPFPXOUIDO-KQHCDTJNSA-N 398.440 3.636 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)S/C1=N\c1ccccc1 4704665 JZGJHBQZNVDLRV-IECUCWQJSA-N 396.468 3.708 30 40 GHEB O=C1CSC(=S)N1/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409334917 WZKQCHGYWLQMQX-SOFYXZRVSA-N 381.822 3.702 30 40 GHEB CC(C)(C)c1ccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409229643 SFPQKKUDMCYXLT-JLPGSUDCSA-N 380.488 3.972 30 40 GHEB C=CCOc1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 225092666 LSFZKSULZZOFMJ-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OCC#N 97990656 GXDLRJHHGQTUDU-LDADJPATSA-N 379.441 3.988 30 40 GHEB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 5643387 IXBUMDRYQWPBDU-UHFFFAOYSA-N 396.516 3.783 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@@H]2C[C@@]1(C)Oc1ccccc12 12378247 IBEMTEADOXCYPF-QMHWCDLVSA-N 376.456 3.860 30 40 GHEB CC1=C/C(=N\S(=O)(=O)c2ccc(Br)cc2)C(C(C)C)=CC1=O 5523712 JBMSUUYGNCTXDV-OBGWFSINSA-N 382.279 3.690 30 40 GHEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc3ccccc3o2)CC1 32818160 ATPVPTDPMDQAIP-UHFFFAOYSA-N 388.383 3.515 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 2796188 YDAYGAKMLOCSQO-FQEVSTJZSA-N 399.487 3.958 30 40 GHEB COC(=O)c1ccc(/C=C/C(=O)c2cnc3sc(C(=O)O)c(C)c3c2)cc1 32933458 TXGUMGHARDVMAO-VMPITWQZSA-N 381.409 3.986 30 40 GHEB CCOc1ccc(C(F)(F)F)cc1NCC(=O)OCC(F)(F)C(F)F 1893391 JSGZOOZUVUUZFE-UHFFFAOYSA-N 377.256 3.960 30 40 GHEB C=CCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 13030829 NAUGBMLPVYNQIH-UHFFFAOYSA-N 379.460 3.602 30 40 GHEB Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(C#N)cc3)[nH]c(=O)c2c1C 5254998 BGQGXLBIYTZBNB-LBPRGKRZSA-N 398.513 3.734 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304667 FRUPJEIUUFIJQW-FQEVSTJZSA-N 384.457 3.519 30 40 GHEB CCCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(OC)c2)S1 5546192 UATJWLZIIPSNIN-VZMFNRANSA-N 397.500 3.648 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2ccsc2c1=O 8935519 CMMCCIRYOZIIKF-LLVKDONJSA-N 391.543 3.503 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 9691919 XGCLIBNMKUKUTQ-FPTDNZKUSA-N 381.476 3.504 30 40 GHEB CCOP(=O)(OCC)C(=C\N1CCOCC1)/N=C(\O)c1ccc(C)cc1 36047269 OAMNOFSDKCSQNF-VKAVYKQESA-N 382.397 3.697 30 40 GHEB O=C(ON1C(=O)CCC1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 329788033 BFCZXRQXRZXGGL-UHFFFAOYSA-N 378.306 3.670 30 40 GHEB O=C(O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F 113999447 JNYDOQOWNTURLR-STHAYSLISA-N 396.055 3.673 30 40 GHEB N#Cc1c(NC(=O)COC(=O)CSCc2ccccc2)sc2c1CCC2 5786787 RVGZFBQQZAQIHE-UHFFFAOYSA-N 386.498 3.524 30 40 GHEB N#Cc1c(SCC(=O)N2CCCCC2)nc(N2CCCC2)c2c1CCCC2 20588476 QKYRUMQNPREVMU-UHFFFAOYSA-N 384.549 3.537 30 40 GHEB N#Cc1ccccc1OCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 59931908 ALXMQUJNQGSHDF-FQEVSTJZSA-N 378.476 3.613 30 40 GHEB CN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc(C#N)c1 60083777 GZEGUMUPGAYQPK-UHFFFAOYSA-N 397.434 3.751 30 40 GHEB COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NN=C(C(C)=O)C(C)=O 3050085 LNXFSRPXILNFOE-UHFFFAOYSA-N 387.823 3.547 30 40 GHEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 21514502 DMBMNMNTOIHPPQ-UHFFFAOYSA-N 395.362 3.740 30 40 GHEB COCCN1C(=O)/C(=C/c2cccc(OC)c2OC)S/C1=N/c1ccccc1 100280139 URBYKROAQOTYNT-FURWVBJJSA-N 398.484 3.954 30 40 GHEB COc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)c1 102805956 DXTXQCNYPRGDHV-LFVOPCPISA-N 390.395 3.618 30 40 GHEB COc1ccc(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1OC 12250970 DFEVYKMBGHFPOS-UHFFFAOYSA-N 395.440 3.961 30 40 GHEB N#Cc1ccc(NCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 64737732 RBHGMWMRDUDYQI-UHFFFAOYSA-N 381.863 3.745 30 40 GHEB CCN(CC)C(=O)CSc1nnc(SCc2ccc(C#N)cc2)s1 6107280 JSCMUWMCAIJHHN-UHFFFAOYSA-N 378.548 3.663 30 40 GHEB COCC/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 18059508 CPJXZZODOZCGJF-FYJGNVAPSA-N 378.457 3.508 30 40 GHEB COc1ccc2cc(CN(C)C(=O)COc3ccc(C#N)cc3OC)ccc2c1 7017190 TXQSZSMLJRRXNU-UHFFFAOYSA-N 390.439 3.766 30 40 GHEB Cc1ccc(N=C2NC(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)S2)cc1 408967187 TXMWISMNLVXQSB-VCHYOVAHSA-N 391.452 3.926 30 40 GHEB CN(CCO)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 7947006 XCZGWHIUIGEYBY-KLSFGVRGSA-N 385.467 3.821 30 40 GHEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(SC)cc1 224977871 SDDUMIGZPYJSKB-UHFFFAOYSA-N 391.514 3.967 30 40 GHEB COc1ccccc1/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 144761893 NYRSVOPYOBEDND-LPYMAVHISA-N 383.473 3.501 30 40 GHEB C=CCn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c(C)n1 19552305 HATXOJAEYAHESK-INIZCTEOSA-N 395.532 3.569 30 40 GHEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5981603 GATDZGWECPUAJN-PXNMLYILSA-N 389.201 3.617 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1F 102866036 NQZKGAMXIWPMSG-LFVOPCPISA-N 383.419 3.592 30 40 GHEB CCCCOc1ccccc1NC(=O)C[C@H]1S/C(=N\CC)N(CC)C1=O 12377868 PSVBSSSHGQBESQ-DVSFIDLUSA-N 377.510 3.534 30 40 GHEB N#CCCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2)c1ccccc1 3282279 LSZLFWCUHLRMOR-UHFFFAOYSA-N 399.450 3.827 30 40 GHEB Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200638 BTHWJZMYYVXPRQ-GTNSWQLSSA-N 397.891 3.991 30 40 GHEB COCCC/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13828548 AMVMGLVFFIKVCT-UHFFFAOYSA-N 383.561 3.716 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/CCCC[C@H]2C)c([N+](=O)[O-])c1 33042604 UEXVOWYQFWDWPJ-ZLMULJHYSA-N 382.486 3.603 30 40 GHEB N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C1)CCOC2 572333087 CLZORHQUJVQPJU-WMZHIEFXSA-N 388.515 3.517 30 40 GHEB N#C[C@]1(C=O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242425576 BPGVBKPHFQTEDA-BBWFWOEESA-N 380.252 3.642 30 40 GHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cc(OC)ccc1OC)C2=O 20624578 NLHBBHSAEKFURX-NDENLUEZSA-N 383.444 3.867 30 40 GHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(OC)ccc2OC)cc1 5959508 MMWKDKQQEAPDNW-UDWIEESQSA-N 384.461 3.906 30 40 GHEB COC(=O)c1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1 3197428 PURVTNFDRQGDLL-KEBDBYFISA-N 386.864 3.785 30 40 GHEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NC[C@@H](c1ccco1)N1CCCC1 27562174 ANLYPIYHEUYVSO-KRWDZBQOSA-N 393.403 3.963 30 40 GHEB N#Cc1c(-c2ccccc2)nc2n(c1=O)CN(c1ccc(Cl)cc1)CS2 13692853 XKWNWOBSALPKLS-UHFFFAOYSA-N 380.860 3.963 30 40 GHEB CN/C(=N/c1cccc(F)c1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100567268 ZTVAMYMOVFQCDS-HNNXBMFYSA-N 391.855 3.751 30 40 GHEB CCN(CC)c1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1 2798421 QISDOGJSFGUWHH-LPYMAVHISA-N 379.464 3.540 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1OC 100765507 IUNVXCFPEZKXBQ-SFTDATJTSA-N 395.474 3.861 30 40 GHEB N#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 47261994 HSKUWPBTOXXTEH-INIZCTEOSA-N 399.292 3.566 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1OC 18196797 UUSZZOOQERWZQL-NRFANRHFSA-N 379.412 3.997 30 40 GHEB Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 24949869 MMBGMWIRSDKECL-UHFFFAOYSA-N 395.466 3.630 30 40 GHEB N#Cc1nc(-c2ccccc2Cl)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138157966 RSSKWJMOBDPEOI-UONOGXRCSA-N 392.846 3.652 30 40 GHEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(CCc2ccccn2)CC1 96345990 KNDZVZRGLBDYCA-NHCUHLMSSA-N 399.498 3.577 30 40 GHEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccc3ccccc3c2O)cc1 1086033 ZDTUGMWHILFMDB-CIAFOILYSA-N 379.441 3.653 30 40 GHEB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 10253587 GBWKFLROPAZYSD-UHFFFAOYSA-N 388.514 3.933 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 101231718 JRYOEXBZQLBSTI-SELCWUDQSA-N 378.384 3.511 30 40 GHEB C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)c1ccc2ccccc2c1 54231813 XDSJEEJLFFDCCA-MRXNPFEDSA-N 382.460 3.707 30 40 GHEB Cc1ccc(/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1 408960615 HGWQVAXJCOJHGR-OYKKKHCWSA-N 375.472 3.868 30 40 GHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3nc(C(C)(C)C)cs3)c2)c1 14242481 UABQEPCSMXWHHA-UHFFFAOYSA-N 393.468 3.708 30 40 GHEB C=CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 22516196 OHJFMNNSMGDJHG-UHFFFAOYSA-N 380.853 3.529 30 40 GHEB C=CCOc1cccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 225002545 CLOZWCQODGWZOY-UHFFFAOYSA-N 392.502 3.733 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1C#N 4134115 FRCDGJNESATUON-ZVLVQXPOSA-N 381.391 3.534 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 3018624 SIDAFMLQSJERCM-GOSISDBHSA-N 384.432 3.762 30 40 GHEB C=CCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2291394 HFAXUJHDKDSWEP-UHFFFAOYSA-N 375.476 3.973 30 40 GHEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1OC 17014370 IQPWZBIOOJLODG-UHFFFAOYSA-N 377.464 3.597 30 40 GHEB Cc1c(C#N)c2ccccc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 9028110 BXMOGYWJLPLUNS-HNNXBMFYSA-N 389.455 3.860 30 40 GHEB N#CCCN(C(=O)COC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 9726453 ZUEAAPDXAYCBES-UHFFFAOYSA-N 383.404 3.539 30 40 GHEB Cc1cc(C#N)cc(C)c1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 72298266 QIOTVVLEQUAFTL-IBGZPJMESA-N 392.455 3.689 30 40 GHEB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 559428289 CSXWOUSQMHQWKI-SFHVURJKSA-N 385.489 3.955 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3CC)C(=O)NC1=S 226318733 DVHDDVSWYJCXOG-GHRIWEEISA-N 389.480 3.627 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N2 9569617 UUHVCLJQTUFDBB-INIZCTEOSA-N 397.500 3.751 30 40 GHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)C(C)C 12391030 AJJQZRWQOVZCEB-UHFFFAOYSA-N 378.469 3.857 30 40 GHEB N#CC1(C#N)C(N)=C(C(=O)O)C2=CCCC[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 1055161 MEZXQYPDQNNHAC-GOEBONIOSA-N 387.361 3.860 30 40 GHEB C=CCc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(O)c(OC)c1 12536531 YGBKECBMWVTGOK-UHFFFAOYSA-N 382.504 3.598 30 40 GHEB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 27860315 MZVNHUROMJFYMZ-UHFFFAOYSA-N 396.493 3.772 30 40 GHEB CCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O 18107253 RYMLATUHIGRCHV-KRWDZBQOSA-N 383.473 3.723 30 40 GHEB CCCN1C(=O)/C(=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21 5509122 ASKUXLCZJHLMCI-MSUUIHNZSA-N 381.432 3.844 30 40 GHEB N#Cc1cccc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)c1 8115040 MPAFPRYXVWEJJT-UHFFFAOYSA-N 391.452 3.812 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nc2c(s1)CCCC2 84008270 OTLLKJLGJQUZMH-UHFFFAOYSA-N 380.473 3.558 30 40 GHEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1nc2ccccn2c1Br 72312171 OUSPEPYDIQCAMO-KRWDZBQOSA-N 383.249 3.849 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccco3)c(C#N)c2=O)cc1Cl 409194866 DKONUFFMUSKANX-VOTSOKGWSA-N 381.775 3.528 30 40 GHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897979 LUHMIBOLXHUNGI-UHFFFAOYSA-N 382.844 3.819 30 40 GHEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccsc1)C2 585106908 KYTRTULMUIOYHC-QFIPXVFZSA-N 390.512 3.610 30 40 GHEB CC1=C(Br)C(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1ccc(C)cc1 947560 URTMUBWMTNSJIX-XDJHFCHBSA-N 396.306 3.959 30 40 GHEB NS(=O)(=O)c1ccc(N/N=C2/CCCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 100492021 PQAKPTKEEHCJHD-VHAMKEJYSA-N 394.497 3.781 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 7927216 CAZMSDNJEBNGKO-MRXNPFEDSA-N 389.908 3.893 30 40 GHEB C[C@@H]1CC(=O)c2c(OCC(=O)N(CCC#N)c3ccc(F)cc3)ccc(F)c21 32789271 DVLXZPIFHNLDPO-CYBMUJFWSA-N 384.382 3.980 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(CCC(C)CC2)C1=O 22357395 CWQLWILSVJPUMF-UHFFFAOYSA-N 381.929 3.848 30 40 GHEB CCN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)C/C(O)=N/C(C)C 82086758 PKEBZMOMINOJCJ-HXUWFJFHSA-N 395.503 3.840 30 40 GHEB C=CCSc1nnc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)s1 14248522 SKDJJDMUUZAOKF-UHFFFAOYSA-N 387.490 3.746 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)no1 8556484 KSMZXWXFGSKSHX-INIZCTEOSA-N 384.388 3.967 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3cccs3)c(C#N)c2=O)cc1C 409206573 XEUWNSMJCBDXBI-BQYQJAHWSA-N 377.425 3.651 30 40 GHEB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2C1=O 15643962 YKGWFBKJRBOLBO-UHFFFAOYSA-N 381.391 3.920 30 40 GHEB N#Cc1c(SCC(=O)N2CCCC2)nc(N2CCCCC2)c2c1CCCC2 20589152 NYHZKXYQXQGLCT-UHFFFAOYSA-N 384.549 3.537 30 40 GHEB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)cc1 4905851 OFELATULLJQZKE-UHFFFAOYSA-N 381.435 3.635 30 40 GHEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(C)C)cc1 20568852 FIJMEUZXYFATTA-NRFANRHFSA-N 399.487 3.631 30 40 GHEB C=CCn1c(S)nnc1-c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 3133778 FFYYFPDETQAPIL-UHFFFAOYSA-N 392.406 3.649 30 40 GHEB CCOP(=O)(OCC)/C(C#N)=N/OC(=O)c1ccccc1Br 2292912 MMBDDKHSYPYSTF-FOWTUZBSSA-N 389.142 3.709 30 40 GHEB N#Cc1c(N)n(CCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12 2305814 BTHBBLZEGFZFSM-UHFFFAOYSA-N 391.818 3.549 30 40 GHEB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCN(c3ccccc3C#N)CC2)c1 48375194 LJBXQHYZUQVAAE-LJQANCHMSA-N 376.504 3.714 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1 4247113 JWQKWNULTZCRRY-UHFFFAOYSA-N 381.413 3.620 30 40 GHEB Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)s1 14076688 MZXKSBMNLZHMRL-UHFFFAOYSA-N 375.523 3.982 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003831 UNAVSLOXWUHGKI-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB CCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(OCCC)c1 2166519 DHJFPVZUOXIDRF-HMMYKYKNSA-N 376.478 3.577 30 40 GHEB O=[N+]([O-])c1cccc(/C(=N/c2cccc(Br)c2)N2CCOCC2)c1 861774 YKPQYADWBKXDDU-ZPHPHTNESA-N 390.237 3.768 30 40 GHEB COc1ccc(-c2c(C#N)c(N)nc(S[C@@H]3CCCCC3=O)c2C#N)cc1 19880128 RAKUPDHSHSKIJP-QGZVFWFLSA-N 378.457 3.687 30 40 GHEB CCc1cc(O)cc2c(/C=N/NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12 1772768783 NQWXHRRWWPCDAJ-BRJLIKDPSA-N 383.883 3.780 30 40 GHEB O=[N+]([O-])c1ccc(-c2csc(N/N=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1 31854469 PJOKPAISYZXDCS-IUXPMGMMSA-N 385.361 3.778 30 40 GHEB COc1cc(OC)cc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)c1 996498 IQVGXUOWQVYHKF-UHFFFAOYSA-N 388.445 3.763 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cc1 100765422 QCEHALVFDBVSEW-SFTDATJTSA-N 377.484 3.722 30 40 GHEB CN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(Br)c1 58007122 BFLVIUIKKOTBMF-UHFFFAOYSA-N 399.292 3.595 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 4170173 ZXLAEFLFTGZFIN-RHSMWYFYSA-N 387.819 3.690 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(C#N)c1 67245066 ZPXIMGBLVRPJCJ-UHFFFAOYSA-N 397.481 3.697 30 40 GHEB COc1ccc(NC(=O)[C@H](C)O/N=C/c2ccc(OC)c(OC)c2)cc1Cl 15392105 XHWOFAGBFLNFOW-OVMKCGGTSA-N 392.839 3.744 30 40 GHEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccc(Cl)cc1Cl 408529707 CYGZTSCCICXDJI-JTQLQIEISA-N 394.189 3.734 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 408917492 VMNIBVYEJYXSLE-GXDHUFHOSA-N 381.438 3.977 30 40 GHEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779219 BRLOETPOYBMMQE-UHFFFAOYSA-N 398.846 3.824 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 78549909 DLBUIWLSIIHTAV-IBGZPJMESA-N 383.419 3.831 30 40 GHEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 6386257 ASKGFJKQQMKRCO-VXLYETTFSA-N 386.433 3.582 30 40 GHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2cc(F)c(F)cc21 40133335 XAPYKPPQPUSZJA-UHFFFAOYSA-N 386.398 3.983 30 40 GHEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)on1 23128091 ZGRSQPLMNLKDPO-UHFFFAOYSA-N 378.457 3.727 30 40 GHEB CCN(CC)c1ccc(/N=C2/C=C(C(=O)NC)C(=O)c3ccccc32)c(C)c1 100041138 ICEZCGKMKDYPQG-DAFNUICNSA-N 375.472 3.831 30 40 GHEB Cc1ccc(COc2ccc([C@@H]3C4=C(CCCC4=O)Nc4nnnn43)cc2)cc1 958976 JFWXAYZWIIGJRU-OAQYLSRUSA-N 387.443 3.583 30 40 GHEB CCOC(=O)COc1nc2c(c(-c3ccncc3)c1C#N)CCc1ccccc1-2 8382977 ZTCCAKLUDSYVFO-UHFFFAOYSA-N 385.423 3.723 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCO)Cc4ccccc4)[C@H]3C[C@@H]12 4023756 CCZWGDIGLXBWNJ-WKKMNAASSA-N 383.532 3.795 30 40 GHEB biogenic Cc1ccccc1[C@@H]1C(C(=O)C2CC2)=C(O)C(=O)N1c1cccc(C(=O)O)c1 13275933 KVWBFIXMKVKEMR-GOSISDBHSA-N 377.396 3.572 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 5488566 HKMXKJBSRLFWSR-MRJHHRETSA-N 392.499 3.840 30 40 GHEB C=CCn1c(=O)c(CCC(=O)N2CCCCC2)nc2cc(C(F)(F)F)ccc21 6670402 CDIPOFRIAVDJDK-UHFFFAOYSA-N 393.409 3.546 30 40 GHEB CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1 4898865 BDTLFYULQLUNDU-XDHOZWIPSA-N 386.502 3.506 30 40 GHEB C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)cc1 7759233 ILRMAXNROIVNJL-UHFFFAOYSA-N 389.864 3.767 30 40 GHEB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2sc(=O)n3CC#N)cc1 79477947 UVZGRXWVQFTWPW-UHFFFAOYSA-N 379.445 3.588 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(Cl)cc2Cl)C1=O 408530358 FDDYCSREWCJFDQ-LBPRGKRZSA-N 390.226 3.903 30 40 GHEB COC1=CC(=C(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)C=CC1=O 4655228 PXKHQWSDWIEGLZ-UHFFFAOYSA-N 380.396 3.586 30 40 GHEB biogenic,in-vitro C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55741758 FLAHBYGFAFTYPN-QGZVFWFLSA-N 391.471 3.980 30 40 GHEB COc1ccc2cc(COC(=O)COc3ccccc3C#N)c(Cl)nc2c1 11283189 SBSFJFVOOQJZRP-UHFFFAOYSA-N 382.803 3.891 30 40 GHEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 13799237 LBRBZPLTNHPZMG-BRWVUGGUSA-N 379.508 3.636 30 40 GHEB O=C1/C(=C/c2ccc(Br)cc2)CCS(=O)(=O)c2ccccc21 2274835 CZQZNRXZQLYKCU-ACCUITESSA-N 377.259 3.893 30 40 GHEB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1cccc(F)c1 2742649 RWCBRKPMEOQECR-UHFFFAOYSA-N 397.479 3.946 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 102927758 KFYROUBZDOBMHR-SELCWUDQSA-N 380.400 3.817 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccncc1 2387068 VLKCNIKJBMUVPW-UHFFFAOYSA-N 379.489 3.874 30 40 GHEB CCOC(=O)c1c(/N=C/c2cccc(OCC)c2O)sc2c1CCN(C)C2 2306406 VYHZFAPBQLVMKT-SRZZPIQSSA-N 388.489 3.768 30 40 GHEB CC1(C)Cc2c(sc3nc(N/N=C/c4ccc(Cl)cc4)[nH]c(=O)c23)CO1 17057056 NZWSFZHBHRMSQW-DNTJNYDQSA-N 388.880 3.935 30 40 GHEB C=CCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)c1nc2c(s1)CCCC2 13011627 MVUWRDOGAVSFML-UHFFFAOYSA-N 399.516 3.686 30 40 GHEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=S)NCc2ccccc2)o1 17145922 UIJUUDMSMYTRLR-QRVIBDJDSA-N 393.468 3.951 30 40 GHEB CN1/C(=C\C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)C(C)(C)c2ccccc21 18101653 DWLODPFLPZXPQR-IDGGIGOKSA-N 382.287 3.994 30 40 GHEB CN(CCC#N)C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 5185107 NITBLOKWOYFALN-UHFFFAOYSA-N 392.411 3.541 30 40 GHEB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)s1)C(=O)NC1(C#N)CCCCC1 5301854 YWOMABOCJZUVLY-LBPRGKRZSA-N 396.896 3.639 30 40 GHEB N#CCN(C(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 7645761 RFLYRQKWGZIJDG-UHFFFAOYSA-N 384.435 3.991 30 40 GHEB CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1nc2c(C)cccc2s1 7738401 CNMADJJUKBQBDR-UHFFFAOYSA-N 394.500 3.767 30 40 GHEB CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)ccc1O 408752035 DUABTZBXRBBKSD-LICLKQGHSA-N 399.428 3.899 30 40 GHEB N#Cc1nn(-c2ccc(Br)cc2)nc1N1CC[C@@H](c2ccccc2)C1 256046817 IEWFPDRZSVBHAH-OAHLLOKOSA-N 394.276 3.895 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@@H]2C[C@@]1(C)Oc1ccccc12 12378248 IBEMTEADOXCYPF-KKLQWCBXSA-N 376.456 3.860 30 40 GHEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(O)cc2O)cc1 16920318 HLADQEOENUBOJX-BKUYFWCQSA-N 382.441 3.958 30 40 GHEB N#C[C@@H](C(=O)c1ccc(C(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 51656626 YFPQUPGRLGXCJJ-LBPRGKRZSA-N 389.358 3.904 30 40 GHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cc(C)n(Cc3ccco3)c2C)c1 2658905 HGOKQGBFYQONPE-CIAFOILYSA-N 385.489 3.675 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 4944269 CLZJBIXHRYGEPY-QMMMGPOBSA-N 382.272 3.829 30 40 GHEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(O)cc1 33615758 MPRKSJBINFVNCF-CQSZACIVSA-N 382.489 3.687 30 40 GHEB COc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1OCc1ccccc1 23762130 SCKDOMISYCQQDY-DQACCSDVSA-N 392.407 3.502 30 40 GHEB CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1 35392843 OKYBKYYXQLERRF-IBGZPJMESA-N 399.516 3.680 30 40 GHEB NS(=O)(=O)c1ccc(N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 70037254 OTKLWQXUXVBSJF-GHIWRQRASA-N 393.468 3.674 30 40 GHEB Cc1cc(SCn2nnc3ccccc3c2=O)n2c(nc3ccccc32)c1C#N 4270117 ZFDDCYZQQQKIOH-UHFFFAOYSA-N 398.451 3.522 30 40 GHEB N#Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 15739002 VICJUVYJLLEFKE-UHFFFAOYSA-N 383.454 3.673 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 19138505 LTSLEDCOTUMLEE-UYAOXDASSA-N 377.440 3.752 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)c1 19137683 GJWZWHFDESTEAL-NRFANRHFSA-N 399.450 3.872 30 40 GHEB O=c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)c2ccccc12 33737103 UUGAMMZIHVIYRN-HYARGMPZSA-N 385.383 3.740 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OCC)cc1 224585607 PUOQXBPZVOARIO-UHFFFAOYSA-N 389.473 3.643 30 40 GHEB C[C@@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1/N=C/c1ccco1 714434 DKGZLDDCZDCNJY-TTYLXTBDSA-N 376.372 3.963 30 40 GHEB N#Cc1ccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)cc1 51315194 FWHVBANADPABBR-UHFFFAOYSA-N 384.189 3.728 30 40 GHEB O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccc(Br)cc1 4832304 WEHGLRZYPPSBDX-VLGSPTGOSA-N 375.247 3.725 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/CCNc2ncc(C(F)(F)F)cc2Cl)c1 5402113 JEDBNGHMUXLPRT-IFRROFPPSA-N 388.733 3.899 30 40 GHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(OC)c1 5923708 GTXFOYSTBCPRLO-MRXNPFEDSA-N 397.500 3.845 30 40 GHEB COc1cc(C#N)ccc1OCc1nc(-c2cccc(Br)c2)no1 7017289 FCVJBFFTDIEDBK-UHFFFAOYSA-N 386.205 3.958 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)o2)cc1 12418250 ISPACTNPIYSRST-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB Cc1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1CCCC2 20589478 NDPBOSGTNQYLGC-UHFFFAOYSA-N 391.544 3.660 30 40 GHEB C=CCn1c(COc2cc(C)ccc2C(C)(C)C)nnc1SCC(=O)O 26468969 PUWNWGTWHMPMPE-UHFFFAOYSA-N 375.494 3.826 30 40 GHEB C=CCN1CCN(C(=O)CC(C)C)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351911 VDWCDPYDRZZEKA-QFIPXVFZSA-N 391.515 3.563 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 102930725 HJCORSXGJIEIBC-GHNGSUTGSA-N 385.847 3.798 30 40 GHEB CCOC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218405639 UDMMOBAGWUVIBG-QYZOEREBSA-N 375.877 3.826 30 40 GHEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C 409327294 RXUSOYPLOWNHOY-UHFFFAOYSA-N 387.281 3.722 30 40 GHEB CC(C)(C)NC(=O)c1csc(Nc2cccc([C@H]3CCCN(CC#N)C3)n2)n1 585294837 VJWJZBMGQVIYCX-AWEZNQCLSA-N 398.536 3.513 30 40 GHEB CC(=O)Oc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531383590 MXOXVUDNTVDZMI-BUVRLJJBSA-N 383.407 3.871 30 40 GHEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(C)=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4428409 UIYVZBDIGKEIAK-XZUVIMIXSA-N 388.504 3.992 30 40 GHEB in-vitro COc1cccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)c1 54668286 UXHWDCYCADYWHK-FQEVSTJZSA-N 381.451 3.918 30 40 GHEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1C 3318346 ZVCQXRIGACDTLS-ODLFYWEKSA-N 394.471 3.872 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccccc1CCc1ccccc1 7980775 KXACNQPBSOTMBY-QHCPKHFHSA-N 378.472 3.683 30 40 GHEB Cc1ccc(C#N)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 89626867 HQHHCXSZTQMYCW-UHFFFAOYSA-N 380.411 3.762 30 40 GHEB CCN(CC)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(O)c1 409038925 PXIPHJQVFMVUEH-UYOCIXKTSA-N 375.288 3.952 30 40 GHEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Cl 409136849 VCKOQSSJKJPYES-UKTHLTGXSA-N 386.256 3.688 30 40 GHEB CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(OC)cc1 5851143 OHDOZPQRWMRNNY-UHFFFAOYSA-N 399.501 3.638 30 40 GHEB Oc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N/c2cccnc2)c(O)c1 102696058 GCIWFUYKVSPVTR-UIEFACPBSA-N 378.413 3.730 30 40 GHEB COc1ccc(OCc2nc(/C=N/Nc3ccc(C(=O)O)cc3)cs2)cc1 63348780 VZSVAKXXUHMUJF-KEBDBYFISA-N 383.429 3.875 30 40 GHEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1 5868829 PJSIWJUQMKQYGA-HNNXBMFYSA-N 382.489 3.622 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc2c1CCCCC2 5903006 RJPHHBVVYGQNQG-UHFFFAOYSA-N 394.456 3.560 30 40 GHEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(Br)cc1)O2 95346094 PJDMWSIYHHJOAQ-ASZQFPGMSA-N 399.248 3.814 30 40 GHEB Cn1c(N/N=C/c2cccc(I)c2)nc2ccccc21 7343380 XYQBCQWOHMOVMN-LICLKQGHSA-N 376.201 3.624 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccco1 8023391 JPIDBBMQTFZMHP-INIZCTEOSA-N 375.446 3.735 30 40 GHEB CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8187014 QVAYNQMAAVUKHX-NSHDSACASA-N 390.538 3.575 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 102882393 ZADVWQYTKATCOD-SELCWUDQSA-N 385.847 3.717 30 40 GHEB Cc1nc(S[C@@H](C)C(=O)N2CCCC2)c(C#N)cc1C(=O)Nc1ccccc1 57597291 BCWRJZOQAHRAOH-HNNXBMFYSA-N 394.500 3.617 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 408602991 PMJCECKBOPUFNO-UHFFFAOYSA-N 389.249 3.964 30 40 GHEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218469470 YOKFVECABJTTSG-YQQAZPJKSA-N 396.251 3.528 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c21 12113521 HXMNLGMIGOPUNJ-CJNGLKHVSA-N 398.532 3.602 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(F)ccc21 100875356 PKIZJDMKPXNAGQ-JZJYNLBNSA-N 389.249 3.979 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccco1 20191680 NBSPULMGFRTADR-LJQANCHMSA-N 382.460 3.508 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 4679484 QQEBJMPRMMYWCL-NVMNQCDNSA-N 389.824 3.686 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccncc1 2369004 ZBADYKSRFBEICW-UHFFFAOYSA-N 387.415 3.535 30 40 GHEB O=C1c2ccccc2C(=O)N1/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 3574476 UFIRJNUIGCQXEY-AFUMVMLFSA-N 393.406 3.564 30 40 GHEB C[C@@H]1CC[C@H]2[C@H](CN3CCc4ccccc4C3)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13 4064704 LDYXBXJFQRMXDU-HUJHZPLGSA-N 381.516 3.570 30 40 GHEB biogenic CN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)C1(C#N)CCCCC1 6099651 MOJCPMQLCNFSNU-UHFFFAOYSA-N 398.319 3.813 30 40 GHEB C=CCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2)c1=O 13957257 KMUJCYQJTSQAQT-UHFFFAOYSA-N 378.453 3.642 30 40 GHEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nnc3n2CCCCC3)c(F)c1 71890607 FCXZVWVYJZXCHA-SFHVURJKSA-N 379.483 3.785 30 40 GHEB N#Cc1c(COC(=O)CCc2nc(-c3ccsc3)no2)cn2ccccc12 95947322 YTUZHAUYFRQHDY-UHFFFAOYSA-N 378.413 3.598 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408940855 VJBOXDPPAAVJDX-QINSGFPZSA-N 382.803 3.571 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225925532 OPJYCQVTGVHYGV-UHFFFAOYSA-N 388.585 3.710 30 40 GHEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225009986 LNSFUTPENUXJDR-UHFFFAOYSA-N 386.351 3.995 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 5720742 QGLDMBBWWSZNOP-UHFFFAOYSA-N 396.468 3.575 30 40 GHEB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(C#N)cc1 21188754 IMFPCBCMRXWUHJ-UHFFFAOYSA-N 385.308 3.593 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2c(CC)cccc2CC)s1 32891706 BMVWEVZGWAAUIU-UHFFFAOYSA-N 394.522 3.976 30 40 GHEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 41258052 HMBYXUMFZUEWQB-WWFGTJDESA-N 381.495 3.751 30 40 GHEB O=C(OCC#CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 2212278 NNFCGVWNISOOEP-UHFFFAOYSA-N 395.396 3.597 30 40 GHEB N#Cc1ccc(OC[C@H](O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 10772197 SXYVDKSKPWGWOR-HNNXBMFYSA-N 398.513 3.745 30 40 GHEB Cc1ccc2nc(C)c(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cc2c1 12794717 HVYZLAIVQJBQFB-HSZRJFAPSA-N 384.483 3.874 30 40 GHEB COc1cc(/C=C2\Oc3c(ccc(OC(C)=O)c3C)C2=O)cc(OC)c1OC 12879970 RUNORKAFKAGBQW-PXNMLYILSA-N 384.384 3.562 30 40 GHEB biogenic COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 17162535 JGPHJLQMLZVJRF-SFHVURJKSA-N 385.847 3.873 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 5303171 OPMBRKLGCASEFF-OAQYLSRUSA-N 382.485 3.725 30 40 GHEB N#Cc1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531949 GPKUENZIKVNOBE-UHFFFAOYSA-N 395.513 3.868 30 40 GHEB CSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 18219470 QVCNHDLCRGUFFA-HNNXBMFYSA-N 385.449 3.566 30 40 GHEB N#Cc1c(Cl)nc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1Cl 18276235 PMTRZJFYGSSIDO-UHFFFAOYSA-N 395.677 3.876 30 40 GHEB CC(C)c1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 7061103 YCKIZTWIDMKRSS-UHFFFAOYSA-N 392.488 3.524 30 40 GHEB N#C[C@]12CN(Cc3ccccc3)C[C@](C#N)(C(=S)N=C1O)C21CCCCC1 36343931 FPBMSBMJIXUEBT-VQTJNVASSA-N 378.501 3.770 30 40 GHEB CC1(C)CN(C(=O)c2cc(C#N)ccn2)[C@H]1C1CCN(Cc2ccccc2)CC1 576467384 FQWIJMXWOYPCRZ-QFIPXVFZSA-N 388.515 3.716 30 40 GHEB COc1ccc(OC)c(/C=N\N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)c1 5665105 XOSPQIUARCHGCG-ZBKNUEDVSA-N 378.215 3.786 30 40 GHEB O/N=C1/C[C@@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@@H]2CO[C@H]1O2 4577895 ARSOMLNPDAIQKS-WVPYSEFISA-N 379.388 3.517 30 40 GHEB COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 6167237 FPQPJVULYNCIEC-GJUHEBOISA-N 398.411 3.569 30 40 GHEB biogenic C=CCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O 2809812 BIBHJKFLDXZABM-UHFFFAOYSA-N 384.863 3.562 30 40 GHEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F 4944635 SEJZTZMDODSOSP-LLVKDONJSA-N 395.406 3.551 30 40 GHEB COc1cc(/C=C2\NC(=S)N(c3ccccc3Cl)C2=O)ccc1OCC#N 7976216 HPYHFDHRERAEAK-UVTDQMKNSA-N 399.859 3.513 30 40 GHEB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 22413598 FXDYCYKSIJYGDB-UHFFFAOYSA-N 391.448 3.986 30 40 GHEB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 726483 RPHPTPVFMSKOSY-HXUWFJFHSA-N 399.487 3.871 30 40 GHEB C#CCOc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)c1 100763611 PCKZTMGXFAHPAH-PMACEKPBSA-N 377.484 3.722 30 40 GHEB CC[C@@H]1CO[C@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 12950921 QRPLSNGRSOEHCR-HUUCEWRRSA-N 375.538 3.717 30 40 GHEB CCOC(=O)c1cc(C#N)c(S[C@H](C)C(=O)N(C)c2ccccc2)nc1C 8776650 LWOLTVRROSTSKC-CQSZACIVSA-N 383.473 3.582 30 40 GHEB C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 71797497 BDUKKNKEHSWAGJ-OAHLLOKOSA-N 398.956 3.799 30 40 GHEB CN(CCCc1n[nH]c(N)c1C#N)C(=O)CCCc1ccc(Cl)c(Cl)c1 95451143 FGZSZYVMBUNLLR-UHFFFAOYSA-N 394.306 3.584 30 40 GHEB C=CCNC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 408701685 COUTVAJHBLQAAO-UHFFFAOYSA-N 390.530 3.540 30 40 GHEB CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(OC)cc1 408965276 VEYHCOPZKSVAIZ-JWZKOSBISA-N 399.428 3.933 30 40 GHEB COCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccccc1 5660823 ZFKJXRBRMCKXPI-BIXZQSIESA-N 384.457 3.651 30 40 GHEB COc1ccc(-n2nnnc2C/C=N/Nc2ccc(Cl)c(Cl)c2)cc1 4370702 ZRFNBYAMRPXJAN-DJKKODMXSA-N 377.235 3.618 30 40 GHEB C=C(C)Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 16788606 CIWPRQHUFOGBBU-UHFFFAOYSA-N 383.452 3.786 30 40 GHEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 20028886 MNGJLQLONYJMGD-JOCHJYFZSA-N 393.531 3.733 30 40 GHEB N/N=C/C(=N/Nc1ccc(Cl)cc1)C(=O)c1ccc(Br)cc1 100427699 BKWBVYNMMINVDM-ZLKNSNGMSA-N 379.645 3.698 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 1902001 MIXUULFVYNDRDI-BAAYTWLHSA-N 377.487 3.562 30 40 GHEB C=CCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 2411570 LJEFZLIHJKNCAY-UHFFFAOYSA-N 398.875 3.839 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 5053344 PWSVPBVYJBWRRP-GOSISDBHSA-N 378.384 3.976 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)c(O)c1)c1c(O)n[nH]c1N2 18196470 RCYOUDWBWQTWMT-QFYYESIMSA-N 395.440 3.546 30 40 GHEB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccccc1C#N 21605973 KDXWOIMPTBZPLW-AWEZNQCLSA-N 388.423 3.906 30 40 GHEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224657673 ZVBCBTROSHGYOY-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(OC)c2)cc1 13104595 KHSJYOVNGYULBC-QSOAKEGCSA-N 381.428 3.844 30 40 GHEB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355077 ORBPNLNUDTYIAD-CJNGLKHVSA-N 397.500 3.665 30 40 GHEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NC(=S)NC[C@H]1CCCO1 2766641 WTSKHGRNQVTMQA-RXMQYKEDSA-N 376.297 3.727 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OC(=O)COc1ccccc1 6549226 PVMUDQVAABLSJQ-UHFFFAOYSA-N 376.206 3.704 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(-c2cccc(F)c2)c1C 8458705 XSQVEWZRVNDTLW-UHFFFAOYSA-N 383.452 3.569 30 40 GHEB CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 11092941 XERUHGKXFTXUJQ-QVKFZJNVSA-N 379.460 3.643 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13004418 TYNFSTPUGGNROD-MRXNPFEDSA-N 377.444 3.590 30 40 GHEB COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 408621806 OCHKZHXIQFUNGW-UHFFFAOYSA-N 385.514 3.942 30 40 GHEB C#CCOc1ccccc1CN(C)C(=O)Nc1nnc(-c2ccsc2)s1 72270424 NCVMIZMTMIFXHG-UHFFFAOYSA-N 384.486 3.943 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1ccc(-c2cccc(Cl)c2)o1 408881315 IUVVCKYNMGDRRT-LXJANLPBSA-N 392.842 3.987 30 40 GHEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1O 33293486 MFUAVIUJZHQKQR-AWNIVKPZSA-N 393.783 3.985 30 40 GHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222316149 BXROBWWXAGKEMJ-KKXSNBIRSA-N 386.451 3.626 30 40 GHEB CC(C)(C)c1cc(/C=C2\S/C(=N\CCO)NC2=O)cc(C(C)(C)C)c1O 148309682 AAOXUZPAWOQANT-PTNGSMBKSA-N 376.522 3.539 30 40 GHEB CCOc1ccc(NC(=S)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 3238297 UXXUCFJSRWWNLD-GIJQJNRQSA-N 394.840 3.673 30 40 GHEB C[C@H]1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O 2637932 YUCCAHCKZCZPQY-UZMFJHSZSA-N 392.955 3.743 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1[C@H](C)c1ccccc1 4860718 XFNNSDBMFXWOEV-CQSZACIVSA-N 382.489 3.850 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccc3nccnc23)S/C1=N/c1nccs1 102745815 FSERWTQNRKYEPM-BAPXRPMLSA-N 379.470 3.876 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(C)=O)cc1 2055132 UWACIDCTSJJPEL-HXUWFJFHSA-N 383.444 3.533 30 40 GHEB C=CCn1c(=O)n2nc(-c3cccs3)nc2c2c3c(sc21)COC(C)(C)C3 13685986 PLHTZPCAVJPJCH-UHFFFAOYSA-N 398.513 3.872 30 40 GHEB N#CCCN(C(=O)CSc1nnc2n1CCCCC2)c1cccc(Cl)c1 6098044 MSRWFTLGJLMCPX-UHFFFAOYSA-N 389.912 3.697 30 40 GHEB CCCCNC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc12 5030750 SNDQCKGYXJMZEP-AFUMVMLFSA-N 386.459 3.579 30 40 GHEB N#CC1(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)CCCCC1 6351644 GHYSMCRMRQXYFZ-UHFFFAOYSA-N 378.428 3.978 30 40 GHEB COc1ccc(CN/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 20195874 RSORQYVHPMSKHA-LPYMAVHISA-N 381.388 3.996 30 40 GHEB C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Br 97104228 INZCDAIEZJNAIZ-NSHDSACASA-N 397.269 3.640 30 40 GHEB C=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 409195748 QEAJOVGKZFVDNV-PDGQHHTCSA-N 378.428 3.525 30 40 GHEB C/C(=N\N=C1/S[C@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccc(C)cc1 4480965 BVEKQTALLSFZOA-ADEQNGSFSA-N 381.457 3.698 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c1 19864100 CKLZDNGVTJCSKP-HXUWFJFHSA-N 396.462 3.582 30 40 GHEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c1OC 20611362 QGBIMGAPWAPGLR-UNOMPAQXSA-N 381.428 3.621 30 40 GHEB biogenic O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1cccs1 1019490 DRTFUKZFEVUWTL-RHSMWYFYSA-N 387.432 3.645 30 40 GHEB CCNC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 8685304 FKGCTGLNBROWLH-WOJGMQOQSA-N 379.580 3.680 30 40 GHEB C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O 100973349 YUCCAHCKZCZPQY-LAZURVMCSA-N 392.955 3.743 30 40 GHEB C=CCn1c(O)c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 1295665 XLYPAZZEOGQUFX-UHFFFAOYSA-N 399.244 3.908 30 40 GHEB COc1ccc(C[C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 58014230 KVXXZEPULACQSH-IBGZPJMESA-N 395.478 3.788 30 40 GHEB COc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)c1 2224630 UMGJMMBFYBZLCT-GLEDVZQVSA-N 397.500 3.902 30 40 GHEB CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 11092786 DRPXGGHMOHKAEJ-BTYIYWSLSA-N 379.460 3.643 30 40 GHEB N#Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18088421 DLXCLHSEPXIXHC-MYNGYRLFSA-N 376.415 3.955 30 40 GHEB C[C@@H](O/N=C(\N)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 15281086 DFSRPQWYANEJDC-QGZVFWFLSA-N 389.455 3.930 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7763734 QAHCELFKRLRWGJ-KPZWWZAWSA-N 389.550 3.877 30 40 GHEB COc1cccc(OC/C(O)=N/S(=O)(=O)c2cc(Cl)sc2Cl)c1 95352926 OZKFSLDAFJDUFJ-UHFFFAOYSA-N 396.273 3.788 30 40 GHEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1 408534046 KXNXCRIBVVCMTL-CQSZACIVSA-N 376.199 3.595 30 40 GHEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777626 IHDWMAJLLHAYND-UHFFFAOYSA-N 376.434 3.602 30 40 GHEB COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)c(Cl)c1Cl 224623759 ITAAGBIHYSWDAZ-UHFFFAOYSA-N 385.272 3.893 30 40 GHEB C=C(C)COc1cccc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1 12188220 OGFHPQSMYZUHJH-UHFFFAOYSA-N 381.472 3.854 30 40 GHEB CC1(C)COP(=O)(/N=C2\CCCN2P2(=O)OCC(C)(C)CO2)OC1 100680420 NNUGKTWOQSXMOC-NTCAYCPXSA-N 380.318 3.843 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 101662251 WYPRNZWURRAJPP-IBGZPJMESA-N 381.423 3.574 30 40 GHEB CN(C)[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccco1 27988560 OEUAPDDXQUKUCF-LLVKDONJSA-N 391.225 3.877 30 40 GHEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2318001 FVZBACXBNRJHTD-QGZVFWFLSA-N 379.508 3.924 30 40 GHEB C=CCN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc(C(C)=O)cc1 12806344 GVUQZKZLGUNDMF-UHFFFAOYSA-N 386.429 3.514 30 40 GHEB O=S(=O)(Oc1ccc(/C=N/O)cc1Br)c1ccc(Cl)cc1 409070026 MQVPJAAEDABODA-LZYBPNLTSA-N 390.642 3.678 30 40 GHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc(OC(F)(F)F)cc1 5426434 GJSFRFYLWDGJHU-DHDCSXOGSA-N 377.318 3.683 30 40 GHEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(F)c1 5861004 MNRPAROZFRIPHU-HNNXBMFYSA-N 385.464 3.974 30 40 GHEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408709888 YYYGAAUZVGAATA-UHFFFAOYSA-N 387.524 3.774 30 40 GHEB CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 568705253 MKJKXFAGKAJRMY-KRWDZBQOSA-N 386.418 3.672 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc1)S(C)(=O)=O 260759645 CLXAFHGWTCCBJN-MRXNPFEDSA-N 386.517 3.692 30 40 GHEB Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(F)cc(C#N)c3)s2)cs1 1259981682 MZNMTAKJCYYGLD-UHFFFAOYSA-N 379.463 3.992 30 40 GHEB C[C@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)c1cccc(C(F)(F)F)c1 84705450 FJEZBQFDFFFHLG-ZDUSSCGKSA-N 391.393 3.710 30 40 GHEB C=CCn1c(O)c(C(=O)Nc2ccc(OCCC)cc2)c(=O)c2ccccc21 2589665 TUQIOJHCBBHNSL-UHFFFAOYSA-N 378.428 3.934 30 40 GHEB C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 3282291 RMYVPPXLUBRSGH-UHFFFAOYSA-N 376.913 3.889 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 18197360 KKCYZGXWRJZQED-KPZWWZAWSA-N 393.428 3.664 30 40 GHEB COc1ccc2nc(Cl)c(/C=N/NS(=O)(=O)c3ccc(C)cc3)cc2c1 5556524 YZDZDFFQUSXPDM-RGVLZGJSSA-N 389.864 3.518 30 40 GHEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 4703216 ZJDFKXBXDDTQPK-WOJGMQOQSA-N 389.386 3.633 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)nnc1C1CC1 7814855 UEVOHFLNQJXRDB-SECBINFHSA-N 382.411 3.878 30 40 GHEB Cn1c([C@H]2CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21 72314357 SLKOKZHYIFKTLI-LJQANCHMSA-N 393.878 3.874 30 40 GHEB Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 112254766 ZTSPBPNDBJBNIK-HBHAFNDASA-N 386.451 3.715 30 40 GHEB C=CCSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 219805165 KSGQKDCQCNKHMY-UHFFFAOYSA-N 376.503 3.613 30 40 GHEB Cc1ccc(S(=O)(=O)O[C@@H](c2ccccc2Cl)C(F)(F)[N+](=O)[O-])cc1 3466589 ZAUXRIQEYKHZSC-AWEZNQCLSA-N 391.779 3.965 30 40 GHEB COCCN1C(=O)/C(=C/c2cccc(OC)c2OC)S/C1=N\c1ccccc1 14009075 URBYKROAQOTYNT-DGPABIPKSA-N 398.484 3.954 30 40 GHEB COc1cc2ccccc2cc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 6606049 ULECXRRESHXGFD-INIZCTEOSA-N 380.425 3.647 30 40 GHEB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N 7831228 DGFRYVZQFMZPMW-LBPRGKRZSA-N 381.413 3.767 30 40 GHEB CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 36619647 VFWBZQVNBRMXTQ-IBGZPJMESA-N 381.428 3.692 30 40 GHEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1cccc([N+](=O)[O-])c1O 19202091 LGBRVLRLSGCDRB-AWQFTUOYSA-N 398.297 3.758 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c(OC)c1 20624791 BAOXFNGOHXVGSA-JAIQZWGSSA-N 381.428 3.621 30 40 GHEB C=CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1cccnc1 8471290 JEGRMDNXBHVOPX-OAHLLOKOSA-N 391.500 3.596 30 40 GHEB COc1ccc(C(=O)NC(=S)c2c(C)c(CCC#N)n3ccccc23)cc1 3236452 DONFJVVLSZPRBF-UHFFFAOYSA-N 377.469 3.818 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(C(=O)OCC)CC4)[C@H]3C[C@H]12 4028587 DMLONNLDGVEKRB-MTSAVCEVSA-N 389.536 3.576 30 40 GHEB biogenic COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2c2ccc(C)cc2)c(OC)c1 13551976 CCSHTNKUOINPQD-LZKUZYFISA-N 383.473 3.871 30 40 GHEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 6510690 NIQBZNUKIDCNLM-LFYBBSHMSA-N 375.371 3.651 30 40 GHEB Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(C#N)c2)n(-c2ccccc2)c1C 14779776 CDXFAXJHUIPQHJ-UHFFFAOYSA-N 398.422 3.633 30 40 GHEB C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)COC(C)(C)C3 4824443 BEVCJBCBHSBQOB-UHFFFAOYSA-N 379.485 3.910 30 40 GHEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OC)c1 7564882 GWLMIZXRARAVBQ-UHFFFAOYSA-N 399.390 3.873 30 40 GHEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507931 VCQYADFCGPPAJC-UOOAFGRTSA-N 394.562 3.602 30 40 GHEB C/C(=N\N=C1/S[C@@H](CC(=O)O)C(=O)N1c1ccccc1)c1ccc(C)cc1 4480964 BVEKQTALLSFZOA-QYDKHBMVSA-N 381.457 3.698 30 40 GHEB CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N=C(SC)SC)O1 1044117 IJCXIQFSXGYTCV-UHFFFAOYSA-N 383.339 3.668 30 40 GHEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCc1ccco1 3288446 IOVOJIRPNFSRRE-UHFFFAOYSA-N 392.436 3.776 30 40 GHEB N#Cc1c(SCC(=O)Nc2ccccc2Cl)sc2c(O)cc(=O)[nH]c12 4945435 VZYCFKGRTIHHRW-UHFFFAOYSA-N 391.861 3.551 30 40 GHEB O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(CS)cc1 5497588 KHWLTIZOSUOODO-UHFFFAOYSA-N 387.464 3.877 30 40 GHEB N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCc1nc(-c2ccc(F)cc2)no1 7985197 BINWJBUUDDCLPU-UHFFFAOYSA-N 396.325 3.747 30 40 GHEB O=C1/C(=N\Nc2cc(-c3ccccc3)n[nH]2)C(C(F)(F)F)=NN1c1ccccc1 13408040 PPGNQJLMEQMYGJ-QQXSKIMKSA-N 398.348 3.810 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 17730069 HPVYRRYLMILQMD-FQEVSTJZSA-N 378.472 3.607 30 40 GHEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC)C1 19498669 JAUMWZHLPKAULE-DEOSSOPVSA-N 391.515 3.612 30 40 GHEB O=C1Nc2ccc(Br)cc2/C1=N/Nc1ccc(C(F)(F)F)cn1 101090532 RFDTXKKLZWTVPF-UHFFFAOYSA-N 385.143 3.631 30 40 GHEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 103253672 BVKBMUWTEMZLNR-UPJWGTAASA-N 394.397 3.697 30 40 GHEB C=CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccccc12 104787032 MQTPOMKPNGSBKO-LQWHRVPQSA-N 380.469 3.576 30 40 GHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC)cc3OC)C2=O)s1 107702534 PIBSOWQVCVKPFK-OXPJSJFTSA-N 375.475 3.536 30 40 GHEB C=CCOc1cccc(/C=C2\C(=O)N(Cc3cccnc3)C(C)=C2C(=O)OC)c1 408896717 ZGTYTOLWCUWCSF-MOSHPQCFSA-N 390.439 3.519 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OCC)cc3)ccc2c1=O 3631285 CDJQSAXQXJOHTJ-UHFFFAOYSA-N 381.457 3.896 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)CSc1ccc(F)cc1 7985543 KBXWBHUREXWPKC-UHFFFAOYSA-N 390.461 3.715 30 40 GHEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102929646 LWNFGTIAIGRGKX-ISYIFQNYSA-N 397.858 3.941 30 40 GHEB Cc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1Cc1ccccc1 3457726 LUYXNXANHJVXDL-CQSZACIVSA-N 377.473 3.626 30 40 GHEB Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccs2)n(Cc2ccco2)c1C 14184887 ZURNBVFCDQSCGH-CQSZACIVSA-N 382.489 3.969 30 40 GHEB O=C1N/C(=N\N=C\c2ccncc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 5546018 GVWFQBZNUXXIBI-YVJZOELXSA-N 392.456 3.561 30 40 GHEB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC#N)N(C)C2=S)cc1 6875243 RVBQANCCJXMSQE-JXAWBTAJSA-N 393.468 3.592 30 40 GHEB Cc1c(/C=N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc(C#N)n1C 7785063 RTTTVZJQOWCCMV-OQIFMASLSA-N 381.439 3.575 30 40 GHEB O=C(O)C(C(=O)/C=C/c1ccc(Br)s1)=C1SCCS1 62716082 MCAOWVYZXCQAMY-HNQUOIGGSA-N 377.306 3.869 30 40 GHEB O/C(Cn1ccc2cc(Br)ccc21)=N\c1nc([C@@H]2CCCO2)n[nH]1 95479102 AOQNCTXMUDPWBG-ZDUSSCGKSA-N 390.241 3.662 30 40 GHEB N#CC1(CC(=O)N2CCC(c3cccc(Br)c3)CC2)CCOCC1 597618630 RZSYDXUYVUWKQH-UHFFFAOYSA-N 391.309 3.866 30 40 GHEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC)C1 19498475 BFJFZRGFJKEXMP-XMMPIXPASA-N 394.490 3.966 30 40 GHEB O=C(O)COc1cccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c1 4536712 PUPVJNOIHNRXRP-OQLLNIDSSA-N 388.832 3.695 30 40 GHEB N#Cc1cc(C#N)c(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)nc1N 30831895 ZBWFDXBUGHMOHV-SFHVURJKSA-N 391.500 3.689 30 40 GHEB N#Cc1c(-c2cccs2)cc2n(c1=N)CCc1cc3c(cc1-2)OCCCO3 101382713 ZDHHYYFYNCBIEM-UHFFFAOYSA-N 375.453 3.952 30 40 GHEB CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(Br)cc1 32751428 BNTNLYXKZVIGJZ-UHFFFAOYSA-N 378.314 3.566 30 40 GHEB C=CCN(Cc1ccc(Br)s1)C(=O)COc1ccc(C#N)cc1 7890354 IHXWKLIYYKJEDT-UHFFFAOYSA-N 391.290 3.976 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(F)cc3)ccc21 8958814 RROZXWAFMUMHOW-UHFFFAOYSA-N 398.434 3.781 30 40 GHEB COc1cc(C#N)ccc1OCc1ccc(OC)c(OC)c1Br 54912073 MSXNMQLNRZZOLR-UHFFFAOYSA-N 378.222 3.926 30 40 GHEB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccccc2C#N)cs1 12747479 MADKRFPVXXOAIJ-UHFFFAOYSA-N 375.453 3.958 30 40 GHEB Cc1cccc(COc2ccc(C=Nn3c(O)nc4ccccc4c3=O)cc2)c1 409362162 SMMCVKPLOYASRQ-UHFFFAOYSA-N 385.423 3.872 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(Cc4ccccc4)nc3c2[C@H]1c1ccco1 5349125 ZCBRYRARSRDUFN-IBGZPJMESA-N 386.411 3.695 30 40 GHEB CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 568705254 MKJKXFAGKAJRMY-QGZVFWFLSA-N 386.418 3.672 30 40 GHEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(Br)cc1 224726131 FHTWQWHWGRBDNF-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB C[C@H](C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2ccc(F)cc2)ccc1=O 49025889 KDGKKVHHOVBOQI-GFCCVEGCSA-N 396.809 3.774 30 40 GHEB C=CCN(c1ccc(C(=O)NC(CC)CC)cc1)S(=O)(=O)c1ccccc1 224378881 CVPMXSHBUXBUCO-UHFFFAOYSA-N 386.517 3.986 30 40 GHEB COc1cc([C@H](C#N)NC(=O)Cc2ccc3ccccc3c2)cc(OC)c1OC 58218609 HBTQHAIPROJORC-IBGZPJMESA-N 390.439 3.789 30 40 GHEB COc1ccc(/C=N/n2c(CCn3c(C)nc4ccccc43)n[nH]c2=S)cc1 13409788 LAIUXVAETAAFNZ-FYJGNVAPSA-N 392.488 3.732 30 40 GHEB COc1ccc(-c2c(C#N)c(N)nc(S[C@H]3CCCCC3=O)c2C#N)cc1 19880130 RAKUPDHSHSKIJP-KRWDZBQOSA-N 378.457 3.687 30 40 GHEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4c(Cl)cccc4s3)C[C@@H]2C1 2086867491 SAICAJGNXMJEBL-KBPBESRZSA-N 381.892 3.789 30 40 GHEB C=CCn1c(=O)c2ccccc2n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=S 6856347 KFPXNZPPTSDXIZ-UHFFFAOYSA-N 381.413 3.510 30 40 GHEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(C(=O)OC)cc2)C1=O 59516274 NZZSNKFPNIROQO-CPNJWEJPSA-N 391.423 3.659 30 40 GHEB C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1 22199243 LWNVTQYYWGIJFU-UHFFFAOYSA-N 394.471 3.829 30 40 GHEB N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 27792971 OGTFUOJDCUGXGM-KRWDZBQOSA-N 398.850 3.945 30 40 GHEB COc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O 4696378 ZWZGKNPBWSARKZ-PXNMLYILSA-N 399.428 3.817 30 40 GHEB CC(C)[C@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCCO2 6790007 HSWVSSCTYRQDMI-QFIPXVFZSA-N 380.444 3.612 30 40 GHEB C=CCSc1nnc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)s1 9057929 ZCTPZQSFZCZMBF-UHFFFAOYSA-N 389.531 3.934 30 40 GHEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccccc2I)C1=O 408553426 YYPCWIMVMUDXIU-RILYUOAZSA-N 385.226 3.902 30 40 GHEB C=CCOc1ccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 217036557 WNLAMTNJAWZUCH-UHFFFAOYSA-N 380.488 3.654 30 40 GHEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408815663 SXCRMIBMXBUMIP-FOWTUZBSSA-N 396.830 3.880 30 40 GHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223122265 WXLWOYODPUCKSS-HXUWFJFHSA-N 384.907 3.992 30 40 GHEB C#CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5235942 XUURGMOCFDMAHZ-CQSZACIVSA-N 379.847 3.852 30 40 GHEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(C)=O)C1 19016924 STDKYZWBNVYLPU-XMMPIXPASA-N 376.500 3.827 30 40 GHEB COc1cc(/C=N/O)cc(I)c1OCc1ccccc1 13747717 CNQPXKALVTYIQC-RQZCQDPDSA-N 383.185 3.687 30 40 GHEB C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(C)cc(C)c21 4988037 ZUFCQEBQUYPJRR-QHCPKHFHSA-N 379.456 3.582 30 40 GHEB COc1cc(OC)cc([C@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 4451156 CRYWRILZWVNKGC-XPWALMASSA-N 399.450 3.694 30 40 GHEB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ncccc1OCCCC#N 65565582 QUGBHDGLNAMVDE-UHFFFAOYSA-N 383.496 3.805 30 40 GHEB Cc1c(C)n(-c2cccnc2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 6669340 MWLYWYVGDVHKMB-OPEKNORGSA-N 397.442 3.631 30 40 GHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1 409282131 MOGMVIANKJRESX-UHFFFAOYSA-N 386.249 3.870 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408853794 SEOMBEYPGUOPPF-ZDLGFXPLSA-N 394.225 3.846 30 40 GHEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 224695220 WETKXAKTAFDUFS-UHFFFAOYSA-N 379.865 3.816 30 40 GHEB COc1ccc([C@H]2C(C(C)=O)=C(O)[C@](O)(CC(C)=O)N2c2ccc(C)cc2)cc1 5285909 DUFCKHOZQAMOGV-JTHBVZDNSA-N 395.455 3.634 30 40 GHEB Cc1cc(Br)c(O)c(/C=N/CCNc2ccc([N+](=O)[O-])cc2)c1 6389888 QTSKWPKQZVBRCD-VCHYOVAHSA-N 378.226 3.902 30 40 GHEB Cc1nc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c(C#N)c(C)c1Cl 2298194315 AZYTVHWGYFYVDB-AWEZNQCLSA-N 396.869 3.698 30 40 GHEB COc1cc(C=O)cc(I)c1OCc1cccc(C#N)c1 20156237 PXADMNNJNCWSJU-UHFFFAOYSA-N 393.180 3.563 30 40 GHEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2)C3=O)CC1 22575511 QFWAFXZZSLRACV-MOSHPQCFSA-N 398.890 3.799 30 40 GHEB COc1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 917536 GURLUKOEEYGXGX-UHFFFAOYSA-N 379.441 3.854 30 40 GHEB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)CCC#N)c3N2)cc1 3012711 ANWXADMDEGGNNS-CVEARBPZSA-N 391.397 3.838 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)CSc1ccc(NC(C)=O)cc1 2661980 VVJABMYNTZNDNH-UHFFFAOYSA-N 383.473 3.693 30 40 GHEB C=CCN(C(=O)c1ccc(Cn2ccccc2=O)o1)c1nc2ccccc2s1 32899756 UFGZMRJQNFDDTO-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB N#Cc1c(NC(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)sc2c1CCCC2 8020892 NQBASQHPDFFCGU-OAHLLOKOSA-N 386.860 3.872 30 40 GHEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=S)NCc2ccccc2)o1 9233450 BSSPSRIKKQUUER-YDZHTSKRSA-N 393.468 3.951 30 40 GHEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cnccn1 2422221 PRHVKYFQVJJNDR-UHFFFAOYSA-N 394.504 3.577 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc5c(c4)OCO5)[C@H]3C[C@@H]12 4025893 SGMJXGDUGJLFPJ-YAZLOMEPSA-N 383.488 3.819 30 40 GHEB biogenic COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 6427852 HTZXZYMGACNZQJ-FQEVSTJZSA-N 379.456 3.918 30 40 GHEB CCc1nc(N/N=C2\C(=O)Nc3ccccc32)c2c3c(sc2n1)CCCC3 6451327 DIKGITGIHFOXEK-UHFFFAOYSA-N 377.473 3.901 30 40 GHEB COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(Cc2cccs2)C1=O 4699816 OSCAFXKVRZQPRY-PKNIGNJESA-N 376.434 3.707 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C#N)C1 4719204 DUSBHRSOVDMWOQ-VIFPVBQESA-N 386.389 3.813 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(C)cc2)cc1 6813173 HIUVTQPYGXESES-YDJIHCHBSA-N 393.439 3.590 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1 19131966 BTBPXFDJWZFFJU-SFHVURJKSA-N 384.501 3.505 30 40 GHEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218465378 AAMLPQFULJKIJD-ZOBUZTSGSA-N 396.251 3.528 30 40 GHEB Cc1ccc(-n2cnnc2SCC(=O)NCc2cccc(C#N)c2)cc1Cl 45406418 GOHYWNPQNMLXLV-UHFFFAOYSA-N 397.891 3.509 30 40 GHEB N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)sc2c1CCCC2 5027287 PDWKGEHJBNHUNK-GFCCVEGCSA-N 383.448 3.629 30 40 GHEB Fc1nc(F)c(F)c(NNC(=S)Nc2cccc(C(F)(F)F)c2)c1F 2191522 BMELDSINWAOTDH-UHFFFAOYSA-N 384.280 3.970 30 40 GHEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 4626430 VSSAUAPBRXWTHR-AUUYWEPGSA-N 375.465 3.902 30 40 GHEB CC(=O)N(C)c1ccc(N=C2C(=O)Nc3ccc(C)c(Br)c32)cc1 18085905 RLCXOQVSGRHRDB-UHFFFAOYSA-N 386.249 3.813 30 40 GHEB Cc1cc(C)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1C#N 7615855 UXHLEVZLVJRUBS-UHFFFAOYSA-N 383.757 3.648 30 40 GHEB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1=O 21759677 CFIRFIZQDSPAPD-FOYGFLCZSA-N 397.519 3.614 30 40 GHEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102643396 RASBXZXAOUISDR-DPGTYXLWSA-N 397.858 3.941 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 102879699 AAHPKSDZIKFQGX-GROYHEBESA-N 389.810 3.547 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 9063039 NWGOZFKQJJMNOY-UHFFFAOYSA-N 391.515 3.762 30 40 GHEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 108043330 CZMVVMXHCMVVPI-UHFFFAOYSA-N 378.881 3.673 30 40 GHEB C#CCN(Cc1ccc(C)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 58194517 VRUCAZFOWPFOHJ-UHFFFAOYSA-N 392.474 3.648 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 5053348 PWSVPBVYJBWRRP-SFHVURJKSA-N 378.384 3.976 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1 19131970 BTBPXFDJWZFFJU-GOSISDBHSA-N 384.501 3.505 30 40 GHEB C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)c1 219793660 AODNIGNLQULQIV-HXUWFJFHSA-N 387.501 3.926 30 40 GHEB O=C1N(O)c2cc(Br)cnc2OC1(c1ccccc1)c1ccccc1 16477873 FQYQWKFNYAFBHF-UHFFFAOYSA-N 397.228 3.903 30 40 GHEB Cc1ccc(C)c2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2087048835 MHJWBZPIYZTHTF-IAGOWNOFSA-N 375.501 3.752 30 40 GHEB N#Cc1ccc(COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 8929186 BSRWLGRXRLEDCH-UHFFFAOYSA-N 382.375 3.716 30 40 GHEB CC(C)OC(=O)c1c(NC(=O)C[n+]2ccccc2Cl)sc2c1CCCC2 3398182 WKNCUJRAEHBUNI-UHFFFAOYSA-O 393.916 3.772 30 40 GHEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 5642856 UISIQDDWKDLODJ-INIZCTEOSA-N 396.516 3.526 30 40 GHEB C=CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 6855721 KGPKJLNIGIWINH-UHFFFAOYSA-N 399.299 3.809 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1C 408591449 TVNABFFHSFGBMM-XCFNILFGSA-N 387.483 3.934 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccccc1 409048736 SYHVPGHUCVGSSF-HSCCMATJSA-N 378.431 3.913 30 40 GHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(OC)ccc3OC)C2=O)s1 33651391 WDJLCCIWOLHHIW-HFENLWAASA-N 375.475 3.536 30 40 GHEB CCOC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218572608 DJLNZCHPUUSVRH-QYZOEREBSA-N 393.867 3.965 30 40 GHEB CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1 22625754 MYOFAUNNUHYMFO-BKUYFWCQSA-N 379.456 3.964 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1 5446314 RMINPJJNSOXGHQ-MRJHHRETSA-N 392.499 3.677 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 100506309 PHPVVCJGVMNYFO-HXUWFJFHSA-N 399.487 3.958 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccccc2)no1 102722070 BIJVONOQMCCBFE-SELCWUDQSA-N 378.359 3.748 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C)o1 102879824 BQVIFCNAERBSJZ-NHFXJNLRSA-N 396.487 3.660 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccccc2)s1 102925269 MWFWIGZJGBIDEA-SXWSKBOKSA-N 383.454 3.534 30 40 GHEB C=CCN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1nc(-c2ccccc2)cs1 23078500 YTGUYMGAEFUTFD-OXQOHEQNSA-N 399.541 3.783 30 40 GHEB Cc1c(/N=C/c2ccc(OC3CSC3)cc2)c(=O)n(-c2ccccc2)n1C 1086339 RKKITANPVCJCPU-WSDLNYQXSA-N 379.485 3.729 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 12779538 FZUFNFOBXLBPFK-UHFFFAOYSA-N 393.310 3.527 30 40 GHEB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s1 3465394 SRBOUXABERTXHH-KRWDZBQOSA-N 375.523 3.737 30 40 GHEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O 409287033 XYMYHSTZAJDYLV-UHFFFAOYSA-N 392.640 3.709 30 40 GHEB C=CCOc1ccc(CN(C)C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 8023501 IWHSUNXKVXGISP-RMKNXTFCSA-N 396.399 3.560 30 40 GHEB CNc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 8175168 BDFZGOJXLTYDPE-SECBINFHSA-N 393.563 3.901 30 40 GHEB C[C@@H](Oc1ccc(/C=N\c2ccccc2I)cc1)C(=O)O 408860273 ZPWPZPSNOBHDOJ-IPHDDYSGSA-N 395.196 3.894 30 40 GHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218056569 NAJCPNJCFQUMKQ-FHWLQOOXSA-N 375.877 3.826 30 40 GHEB CC(=O)Nc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 6073745 IVLMDZNBGHUWTD-ROMGYVFFSA-N 397.438 3.864 30 40 GHEB C(=N/N1CCN(/N=C/c2ccc3ccccc3n2)CC1)\c1ccc2ccccc2n1 1700800 FNCIOFSXJWDRQN-RPCRKUJJSA-N 394.482 3.769 30 40 GHEB O=S(=O)(N/N=C\c1cc(Cl)nc(Cl)c1)c1ccccc1C(F)(F)F 33376660 SGKJINORFUGRRB-GXHLCREISA-N 398.193 3.720 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccccc1 6691048 XNAWDLJFBUNPLR-IBGZPJMESA-N 375.380 3.764 30 40 GHEB Cc1cccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3)n2)c1 7995187 LUFCZMXABMUGLW-UHFFFAOYSA-N 376.441 3.760 30 40 GHEB N#C[C@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1 32682217 ZZQKPWHANLYCJD-SFHVURJKSA-N 395.415 3.512 30 40 GHEB COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1O 672047 JIDLGIZOCIHMDK-RCCKNPSSSA-N 388.489 3.716 30 40 GHEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/N=C1\C(=O)Nc2ccccc21 3299602 BBRCUYSIPGBNHC-LSHDLFTRSA-N 381.798 3.749 30 40 GHEB N#Cc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1 3221095 LQGJNSKQLAKYFA-UHFFFAOYSA-N 395.462 3.574 30 40 GHEB CCCCNC(=O)N(O)[C@H]1N(/N=C/c2cccs2)C(=S)SC1(C)C 4794968 WAWJRBSCPZJQOD-YXHQGMJNSA-N 386.568 3.721 30 40 GHEB COc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc(Br)c1OC 408980857 TWZQAHOJYFUEJW-UHFFFAOYSA-N 388.265 3.691 30 40 GHEB CCCCCCCCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O 96019429 LUOXUGQJXXPMMU-UHFFFAOYSA-N 388.512 3.989 30 40 GHEB COCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccccc1 5660821 DKDYQWHCYQHJRB-KLPPEWMLSA-N 398.484 3.954 30 40 GHEB COc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)cc1 1355121 SOZJNJVOADXLMH-UHFFFAOYSA-N 392.436 3.861 30 40 GHEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1cccc2ccccc12 6882073 XLRBLZXGBLCUCA-INIZCTEOSA-N 386.455 3.609 30 40 GHEB C[C@@]1(Cl)C(=O)C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)[C@@]1(C)Cl 103726728 KIIBTDLCWOAIKI-HSVRQYNYSA-N 380.680 3.517 30 40 GHEB N/C(=N\OCC(=O)Nc1ccccc1)c1ccc(COc2ccccc2F)cc1 58023847 PVCRJEGNAKISLX-UHFFFAOYSA-N 393.418 3.680 30 40 GHEB Cc1cccc(C)c1NC(=S)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3262465 MKPXSEOADIKLIY-QGMBQPNBSA-N 378.841 3.891 30 40 GHEB C=C(Br)CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 58419509 GSJVOCBQYJAJRS-UHFFFAOYSA-N 397.294 3.774 30 40 GHEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 408864732 YTKWBPWZFVKSGQ-NVNXTCNLSA-N 388.832 3.938 30 40 GHEB C(=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)\c1ccc2ccccc2c1 5093813 OHGZPIXZLVDECG-XQNSMLJCSA-N 387.491 3.671 30 40 GHEB CCOc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3cccc(C)c3C)S2)cc1 5126867 FGXUDJVMZZWHOK-SFHVURJKSA-N 397.500 3.950 30 40 GHEB C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 20673479 VQDSTJKHNLEHKK-HSZRJFAPSA-N 385.423 3.733 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)cc1 409204268 DJVVDHXHAGINDL-WDZFZDKYSA-N 391.814 3.935 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224963329 OMJJFRUTRCZYOL-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB COc1ccccc1OCC#CCNC(=O)CSc1nc2ccccc2s1 90610329 OOKJKMQKBOMRAF-UHFFFAOYSA-N 398.509 3.596 30 40 GHEB C[C@H](C(=O)Nc1ccccc1Cl)N1CCCN(c2ccccc2C#N)CC1 52801191 CKHVIGULLHPXKL-MRXNPFEDSA-N 382.895 3.751 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2cccc(O)c2)cc1 5409087 RGYARUQPTKANAB-HXUWFJFHSA-N 386.407 3.879 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)s1 32891689 ZCZSEYTTYXZXDL-UHFFFAOYSA-N 390.849 3.643 30 40 GHEB COc1cc(/C=N/c2ccccc2-c2nnc(=S)[nH]c2O)cc(OC)c1OC 3178593 JGMJTRLONLUEBZ-KEBDBYFISA-N 398.444 3.683 30 40 GHEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccnc1 9111091 XCJQXNCJKYYAPY-LJQANCHMSA-N 387.443 3.978 30 40 GHEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccccc1F 409352506 CZSGFLIFBRLYAC-UHFFFAOYSA-N 376.391 3.531 30 40 GHEB C#CCN1C(=O)S/C(=C/c2cc(Br)c(OC)c(OCC)c2)C1=O 409046706 LNDIVTHAHZVYRD-UKTHLTGXSA-N 396.262 3.526 30 40 GHEB N#CCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408750681 QFYPOLKPEGJMKF-NWDGAFQWSA-N 375.475 3.741 30 40 GHEB C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(F)cc1 224920981 GPTSZCKJMPHAOP-UHFFFAOYSA-N 383.828 3.647 30 40 GHEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144754804 JQSJALCIUFQPAJ-CIAFOILYSA-N 385.514 3.781 30 40 GHEB C/C(=N\OCC(=O)N(C)Cc1ccc(C)o1)c1ccc(Br)s1 585079470 TURIVEIQJYMQAQ-GZTJUZNOSA-N 385.283 3.811 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)[nH]1 14152570 LSHYADXDUHRMOP-UHFFFAOYSA-N 383.864 3.651 30 40 GHEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1ccc(N)cc1 33960879 NHSGSNJYJUNLJD-JFLMPSFJSA-N 388.479 3.634 30 40 GHEB C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccncc1 1225107 IJGAWFOXNPURSA-UHFFFAOYSA-N 391.500 3.598 30 40 GHEB N#Cc1ccccc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32852827 PLFNIRLFLXEMNK-MRXNPFEDSA-N 377.425 3.969 30 40 GHEB COc1ccccc1[C@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1c1cc(C)on1 102804581 PVTBBGZAVSFNIN-HVESIFNPSA-N 396.424 3.679 30 40 GHEB CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C)cc2)N(C)C1=O 102929235 ORVRYNCTXSHHHX-VEGAHXMMSA-N 397.500 3.984 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CCCCC2 3318533 CPHRLNSTQMEVRB-UHFFFAOYSA-N 389.864 3.733 30 40 GHEB COCCOC(=O)Oc1ccc([C@H]2C(F)=C(N)C3=C2C(=O)CC(C)(C)C3)cc1 106461775 KMOWEAGSDDGXQY-MRXNPFEDSA-N 389.423 3.771 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)ccc1-n1cnnn1 58779187 WNSHMVFMYLUPNT-UHFFFAOYSA-N 394.287 3.859 30 40 GHEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1nnc(C)o1 48187151 LDMIJNIRILLUHS-NSHDSACASA-N 375.429 3.727 30 40 GHEB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)c1 48375195 LJBXQHYZUQVAAE-IBGZPJMESA-N 376.504 3.714 30 40 GHEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1 408961565 NFXILIPTCFRIEF-APSNUPSMSA-N 383.385 3.524 30 40 GHEB C=C(C)C[C@@H]1N(c2cccc3ccccc23)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 5216979 UNQJGGLNVXXYSR-MRXSCTINSA-N 375.424 3.546 30 40 GHEB C#CCOc1ccc2ccccc2c1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 4452826 MEOQSVFVGFHNHD-UHFFFAOYSA-N 388.427 3.506 30 40 GHEB C=C(C)COc1ccc2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc2c1C 6624056 QVYWWSWSYPTOEL-UHFFFAOYSA-N 392.455 3.619 30 40 GHEB biogenic C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccoc1C 6912102 GMZYACZBDHINSI-UHFFFAOYSA-N 384.461 3.772 30 40 GHEB N#CCSc1nc2ccc(Cl)cc2c2nc(=O)c(-c3ccccc3)nn12 95469508 BOTAFWGEIBYJRH-UHFFFAOYSA-N 379.832 3.574 30 40 GHEB NC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408889411 GJLZKPGZKQAJQS-UFWORHAWSA-N 398.713 3.849 30 40 GHEB C#CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409405100 SQZKNBRKNINFOE-UHFFFAOYSA-N 379.419 3.958 30 40 GHEB Cc1c(C)n(-c2cccnc2)c2ncn3nc(CO/N=C\c4ccccc4)nc3c12 35769821 MWLYWYVGDVHKMB-GATIEOLUSA-N 397.442 3.631 30 40 GHEB Cc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1 35311062 SHMMCTDRUYTKOP-UHFFFAOYSA-N 377.425 3.874 30 40 GHEB FC(F)c1cc(-c2ccco2)nc(N/N=C/c2ccn(CC(F)(F)F)n2)n1 225391568 RFQKWONOBPQMJU-QPSGOUHRSA-N 386.284 3.879 30 40 GHEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(OC)c1 9095789 XGENGVRDJDTVIC-UHFFFAOYSA-N 378.457 3.820 30 40 GHEB N#CC1(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CCCCC1 4935759 YIWNDMMMNOFIKA-UHFFFAOYSA-N 381.505 3.579 30 40 GHEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc(Cl)cc1 409404113 CCNATLYEELSBHG-HZVDNRATSA-N 393.874 3.889 30 40 GHEB Cc1cccc(CN2CCO[C@@]3(CCCN(Cc4cccc(C#N)c4)CC3)C2)n1 306134392 NLRGTKGSVUSQQT-XMMPIXPASA-N 390.531 3.519 30 40 GHEB CN(CCOc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95954496 JCOGFZTXCVNGBR-HKUYNNGSSA-N 377.271 3.834 30 40 GHEB Cc1ccc(/N=C2\C(=O)N(CN3[C@@H](C)COC[C@H]3C)c3ccccc32)cc1C 226758112 VJQBNUJOZXOSCL-XDPQWZOCSA-N 377.488 3.838 30 40 GHEB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 12445287 SMYYOGPOSZLIIW-YVNNLAQVSA-N 393.403 3.850 30 40 GHEB NC(=S)N/N=C/c1nccc2c(C(F)(F)C(F)(F)C(F)(F)F)cccc12 6513541 IYJACKLHQZCAOV-GFXGDVFHSA-N 398.307 3.691 30 40 GHEB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1cccc(C#N)c1 6913415 BFGHLAJPGRHSML-GFCCVEGCSA-N 381.436 3.612 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 8958748 OJIXROUMIOTZAS-UHFFFAOYSA-N 382.435 3.945 30 40 GHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1OC 50043862 WDZKOLZTHCOLRZ-UHFFFAOYSA-N 386.521 3.681 30 40 GHEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc(OC)c1O 20797158 UJWZQZLEKFHRSV-LJQANCHMSA-N 379.416 3.637 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C 12851231 NCZWJEWMUYIXEM-UHFFFAOYSA-N 395.326 3.883 30 40 GHEB CCCCCOc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1 4812306 HSAFGSXALIQMJX-CJLVFECKSA-N 383.496 3.637 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccccc1CCc1ccccc1 7980773 KXACNQPBSOTMBY-HSZRJFAPSA-N 378.472 3.683 30 40 GHEB CC(C)c1n[nH]c(C(=O)N(CCC#N)CCC(F)(F)F)c1Br 79071135 PNBBIBZFCCNMMM-UHFFFAOYSA-N 381.196 3.604 30 40 GHEB COC(=O)c1cccc(/N=C\c2ccc(O)c(I)c2)c1 408904643 MOGHUDNFPSPJTM-MFOYZWKCSA-N 381.169 3.534 30 40 GHEB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 505941911 FNTWMLUOESUSFD-JLJPHGGASA-N 395.425 3.671 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1)S(C)(=O)=O 225062888 CLXAFHGWTCCBJN-INIZCTEOSA-N 386.517 3.692 30 40 GHEB C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)cc1 224867807 PHRWTANVLZQKIX-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)c2cccc(Br)c2)cc1Cl 5397184 GZAWMNAPIFSUJS-UHFFFAOYSA-N 393.624 3.770 30 40 GHEB Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2ccc(C#N)cc2F)CC1 1888930407 HYDWXQIYSBLLSO-UHFFFAOYSA-N 390.462 3.628 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 4498923 QJEKCEUAEOEEHA-LICLKQGHSA-N 387.686 3.805 30 40 GHEB C/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)cc3C(=O)O)o2)C(=O)N1C 2138799 BBBKFFWWBATGOW-QEEYBCOYSA-N 376.821 3.830 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)COc2ccc3ccc(=O)oc3c2)cc1C 12977940 FDIXZTAAAFZZNA-UHFFFAOYSA-N 376.412 3.736 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccco1 4814843 QXYFOIGWJCFUNF-UHFFFAOYSA-N 385.445 3.716 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CCCC1=O)N2 5887159 JWDKBGSAKYAIQX-HNNXBMFYSA-N 385.514 3.982 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccoc1C 6912444 PBKUKCHXOWLHOU-UHFFFAOYSA-N 399.432 3.672 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1F 16741706 FHQXGGUKIBWYTL-SFHVURJKSA-N 383.419 3.998 30 40 GHEB O=C1/C(=C\c2ccc(F)c(Br)c2)CS(=O)(=O)c2ccccc21 96792617 QWDUHDXKQJYKEZ-XFFZJAGNSA-N 381.222 3.642 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)c1 409022349 LAKWMJRIXVGXJP-XDHOZWIPSA-N 397.390 3.793 30 40 GHEB CCOC(=O)Cc1csc(N/N=C(\C)c2ccc(Br)cc2)n1 16739533 FMUNQXWURTWKIC-VCHYOVAHSA-N 382.283 3.847 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 17078841 VGGZQNVGFUANKB-XTEHIJPUSA-N 386.451 3.797 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1 4275223 NEAOWAUQVNCAGS-UHFFFAOYSA-N 385.514 3.645 30 40 GHEB CC(C)=C[C@H]1[C@H](/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)C1(C)C 42338772 ITSZTNKNPIXLEP-WMLDXEAASA-N 379.478 3.732 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)ccc2c1=O 105872824 WGCWDHCPEJNUCK-AYMQEEERSA-N 383.517 3.800 30 40 GHEB CCOC(=O)c1oc2cc(OCC#N)ccc2c(=O)c1-c1ccc(OC)cc1 2216233 SWFIVEGRMLZALI-UHFFFAOYSA-N 379.368 3.548 30 40 GHEB biogenic CCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 8397425 HQTSLTKRIBHVIG-UHFFFAOYSA-N 386.521 3.686 30 40 GHEB COc1ccc(Br)cc1CN(C)c1ccc([N+](=O)[O-])cc1C#N 6250295 RTCJCJNQEYQZDZ-UHFFFAOYSA-N 376.210 3.874 30 40 GHEB O=C1C2=C(Nc3ncnn3[C@@H]2c2cccc(Br)c2)c2ccccc21 18223127 FPOMOUSHPPKWTH-MRXNPFEDSA-N 379.217 3.663 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c2C)c1 408585987 ACMCRALKNILPFU-UVROCMRSSA-N 399.494 3.790 30 40 GHEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCN(C)CC4)o3)o2)c1 33027214 ROESCNSLTMBLDR-UHFFFAOYSA-N 392.459 3.754 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC(C)CC2)n1 225924803 WYCSFLIGEHYDGN-UHFFFAOYSA-N 388.585 3.566 30 40 GHEB C=CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 141410628 QDJZJVBLTFHFKJ-BOPFTXTBSA-N 398.871 3.684 30 40 GHEB N#Cc1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCCC2 4325535 FVYMYAQHVPYYHJ-UHFFFAOYSA-N 388.514 3.691 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 8837595 ACWBIOXSBZBGAL-MAUKXSAKSA-N 399.468 3.514 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1C#N 4134113 FRCDGJNESATUON-BAEXCKCRSA-N 381.391 3.534 30 40 GHEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1 9323738 OZAILTWKKCPTEU-GZTJUZNOSA-N 399.428 3.894 30 40 GHEB CCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(C)cc2)N(C)C1=O 102929232 ORVRYNCTXSHHHX-KHOFPDMRSA-N 397.500 3.984 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nc(C3CC3)n[nH]2)n(-c2ccccc2)c1C 11494887 XVPDXAUWRRANKM-UHFFFAOYSA-N 392.488 3.692 30 40 GHEB CC(C)(C)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408740803 MTEDKENXLVNINC-KOWBDXASSA-N 379.485 3.751 30 40 GHEB Cn1ccnc1/C(=N\Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 5560608 IWETXYUSXFLLKP-PGMHBOJBSA-N 378.417 3.803 30 40 GHEB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1sccc1C#N 7841098 JHGDVGPPSNHTII-LLVKDONJSA-N 396.501 3.727 30 40 GHEB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409249781 OQCWFHONWLMXLH-RCCKNPSSSA-N 382.419 3.945 30 40 GHEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225090359 LCPSADHIFMVIEA-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](C)CCC)cc1)S(=O)(=O)c1ccccc1 224374842 PEJPGOCSRHLSKI-KRWDZBQOSA-N 386.517 3.986 30 40 GHEB CCCCNC(=O)c1csc(Nc2cccc([C@@H]3CCCN(CC#N)C3)n2)n1 585293130 CTBCSCICBROZHP-OAHLLOKOSA-N 398.536 3.515 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(CCc4ccccc4)CC3=O)n2)cc1 13551396 QIAVUVJHXJKENW-UHFFFAOYSA-N 391.496 3.573 30 40 GHEB Cc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1N1CCOCC1 17840436 IMPMLDBIJRCMQK-UHFFFAOYSA-N 391.500 3.576 30 40 GHEB CC[C@@H](C)c1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)cc1 101579193 VKVUWSGPILZGMY-JMKVTYIUSA-N 393.443 3.504 30 40 GHEB C=CCc1cc(/C=N/c2ccc(C(=O)OC)cc2C)cc(OC)c1OCC(=O)O 59249792 WWBHKTGCUAPSBL-FSJBWODESA-N 397.427 3.733 30 40 GHEB C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CO[C@](C)(CC)C4 2295249 NTICGVCKUQRSCL-GOSISDBHSA-N 390.534 3.552 30 40 GHEB CC(C)c1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13731593 VKFIFKWJJUUZNC-UHFFFAOYSA-N 393.487 3.623 30 40 GHEB CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N3CCOCC3)cc1)C2=O 4478790 OZJJLRCSFBLTCX-MOSHPQCFSA-N 395.411 3.533 30 40 GHEB C#CCOc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1OC 408612545 SIAWNFHAXPBHRQ-UHFFFAOYSA-N 390.233 3.780 30 40 GHEB N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 14249670 CIWGKAFRWPLTPV-UHFFFAOYSA-N 385.467 3.765 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc2ccccc12 8996809 FOZDFQOOGFJYAH-IBGZPJMESA-N 377.396 3.658 30 40 GHEB C[C@@H](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)NC(=O)C1CCCC1 96013340 LAWRCQFEDFUQST-ZDUSSCGKSA-N 382.287 3.973 30 40 GHEB C#CCOc1c(Cl)cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1OCC 408813031 DFZUCNVEHCQSLE-UHFFFAOYSA-N 381.863 3.976 30 40 GHEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 33860972 HZIQBYBRTLSGJF-ZMOGYAJESA-N 375.501 3.688 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 5446068 CPXPZUBMBCXFDN-ICSRJNTNSA-N 395.430 3.891 30 40 GHEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(I)o1 16451058 GEUUNJIJYSSUEA-FLIBITNWSA-N 396.209 3.776 30 40 GHEB COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 12370981 WRTGRSZMZPEJCW-UHFFFAOYSA-N 392.411 3.615 30 40 GHEB COc1cccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c1OC 20504002 RJTCPMTUALHRTO-UHFFFAOYSA-N 385.427 3.867 30 40 GHEB C/C=C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@@H](C)O)C1=O 100066068 AIFXMSDWXBFQTF-NNKSYJEZSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro Cc1ccc(-c2csc3ncnc(NCCCc4n[nH]c(N)c4C#N)c23)cc1 8134478 QYNFUHPDWHDIIU-UHFFFAOYSA-N 389.488 3.888 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)N(C)C1=S 409030606 DYUIQENGBRGALP-PDGQHHTCSA-N 377.469 3.557 30 40 GHEB O=C1CCCC2=C1[C@H]([C@@H]1CC=CCC1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673979 CAPVEHCSKDCDTB-PBHICJAKSA-N 380.492 3.633 30 40 GHEB N#C[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218469246 YOKFVECABJTTSG-VYDXJSESSA-N 396.251 3.528 30 40 GHEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 13575503 SHXHWOPEFBMMKJ-RIYZIHGNSA-N 375.793 3.845 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 17857356 FMTQTQUCZANTFW-UHFFFAOYSA-N 389.484 3.584 30 40 GHEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7602322 ARBRXODRUUWHNB-UHFFFAOYSA-N 391.884 3.774 30 40 GHEB CC(C)[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 22425948 HOLPCFQQKUWLCH-JOCHJYFZSA-N 376.504 3.783 30 40 GHEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C3/C(=O)Nc4ccccc43)S1)C2 101164930 OAVDCIKHNKFDAA-PXKHTRANSA-N 394.500 3.771 30 40 GHEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3n2)cc1 3649274 WSBBSGZDMIPSGK-ATVHPVEESA-N 395.871 3.584 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(F)cc4)nc3c2[C@H]1c1ccco1 5345920 ZSMJEMAGLQHBSL-KRWDZBQOSA-N 390.374 3.911 30 40 GHEB COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)ccc1C 409058751 KXWKEHDYDVUGNE-OUYOUGTCSA-N 382.441 3.936 30 40 GHEB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 95995998 CLOQRPKGRAOAKO-CVEARBPZSA-N 383.414 3.978 30 40 GHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223266727 RSKOSQVJWZXUPP-QFIPXVFZSA-N 394.515 3.737 30 40 GHEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(C)=O 1440189 XGONOHNMOYVYDY-UHFFFAOYSA-N 382.412 3.749 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1 18043575 AVMXACKOOQMPBZ-NRFANRHFSA-N 392.499 3.833 30 40 GHEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCCN1CCOCC1 20547717 PUJSOLLWPSSYQE-UHFFFAOYSA-N 391.519 3.567 30 40 GHEB Cn1c([C@@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)nc2ccccc21 40089605 HAVORULNCLILLL-INIZCTEOSA-N 389.846 3.962 30 40 GHEB CCCCCCCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)o2)cc1 100225425 XIPWJVURLKPGIR-UHFFFAOYSA-N 394.475 3.658 30 40 GHEB NS(=O)(=O)c1ccc(N/N=C2/CCCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 100492015 PQAKPTKEEHCJHD-MPUISCFQSA-N 394.497 3.781 30 40 GHEB CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)NCCC2=CCCCC2)n1 32899298 NAODPMIPPDHMLI-CQSZACIVSA-N 387.505 3.617 30 40 GHEB N#CCCn1cc(CNCCCn2cnc3ccccc32)c(-c2ccccc2)n1 7985800 PGMPYYSUZWPMFD-UHFFFAOYSA-N 384.487 3.993 30 40 GHEB C=CCn1c(SCC(=O)c2ccc3[nH]c(=O)oc3c2)nnc1C1CCCCC1 8391906 UPDSQMQUZQFRMU-UHFFFAOYSA-N 398.488 3.921 30 40 GHEB CC(C)[C@@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 1260224 DRNPRPLFISFJBY-HNNXBMFYSA-N 385.514 3.844 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3O)S2)cc1 408950933 GWSAIZGLGVMSIA-XNTDXEJSSA-N 385.401 3.591 30 40 GHEB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2C#N)cs1 12757378 YSIVULSUWFRJKW-UHFFFAOYSA-N 381.482 3.742 30 40 GHEB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18196240 KCTYMXTWPYUJTL-GTNSWQLSSA-N 397.891 3.991 30 40 GHEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1 409039550 RHOZPGLXWYIYED-HKWRFOASSA-N 392.480 3.702 30 40 GHEB CC(=O)Oc1ccc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19882209 BRTGXFXZCNIBBI-XQNSMLJCSA-N 385.895 3.807 30 40 GHEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccccc2)CC1 12418790 GZOGFNBPZGMDKB-CMDGGOBGSA-N 390.468 3.741 30 40 GHEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@](C#N)(C(N)=O)[C@H]2C=Cc3ccccc3N12 5163137 RGXNFWVSZRVNRW-NAZDKBRTSA-N 399.494 3.665 30 40 GHEB C=CCn1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1-c1ccc(O)cc1 20731312 WPFZZIGUALRILC-GOSISDBHSA-N 392.484 3.882 30 40 GHEB N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 22609012 IAQMRJGDWLBAMV-UHFFFAOYSA-N 390.770 3.954 30 40 GHEB N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1 3341855 UAGYMJVXFZQOSW-UHFFFAOYSA-N 397.441 3.863 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 18197368 YXBIBRAWAVPYQB-KZULUSFZSA-N 393.428 3.664 30 40 GHEB COc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)O)C3=C2C(=O)CCC3)c1 409071988 RCQZLHLGLXBUBO-UHFFFAOYSA-N 395.455 3.583 30 40 GHEB CCc1cccc2c(CC(=O)N=c3ccn(-c4cccc(F)c4C#N)[nH]3)c[nH]c12 511688305 ICTBPFCDYBMFBY-UHFFFAOYSA-N 387.418 3.530 30 40 GHEB C[C@H](Oc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1)C(=O)O 5007366 YEVJAFHHJXAIIY-OKHBPPCESA-N 386.404 3.569 30 40 GHEB CCCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N\CC)N(CC)C1=O 12377867 PSVBSSSHGQBESQ-JVMRMLDLSA-N 377.510 3.534 30 40 GHEB N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 7485257 JMFZITUTEIYMPU-QGZVFWFLSA-N 377.469 3.739 30 40 GHEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(OC(F)F)cc1OC(F)F 7944952 LZEUKWJUKMBPLF-GZIVZEMBSA-N 382.269 3.520 30 40 GHEB CO/N=C/C(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 5353943 MOXXVTFRDSGADH-KEBDBYFISA-N 380.231 3.819 30 40 GHEB Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 8706027 WORUICHSWGHXDL-UHFFFAOYSA-N 383.502 3.857 30 40 GHEB O/C(Cn1ccc2cc(Br)ccc21)=N\c1nc([C@H]2CCCO2)n[nH]1 95479103 AOQNCTXMUDPWBG-CYBMUJFWSA-N 390.241 3.662 30 40 GHEB COc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccco1 6229900 DYATYOLIWIPAOK-UDWIEESQSA-N 381.344 3.862 30 40 GHEB COc1ccc(N/N=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4175358 UGULJGGISVXDHO-HZHRSRAPSA-N 378.413 3.887 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 20006447 WBQGLWFCBKKBHJ-CYBMUJFWSA-N 377.400 3.513 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1cccs1 1019492 DRTFUKZFEVUWTL-WMLDXEAASA-N 387.432 3.645 30 40 GHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC 100765509 HVKCUMZDIMUDDH-NHCUHLMSSA-N 395.474 3.861 30 40 GHEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 46928883 PZDYAQPPNIHCLL-GORDUTHDSA-N 385.850 3.531 30 40 GHEB CCOc1ccc2ccccc2c1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100230489 BXROBWWXAGKEMJ-LVDLKHRLSA-N 386.451 3.626 30 40 GHEB C[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(Cl)s2)C1=O 3202803 FYOLOQOBQBHWIQ-HXPJWWMGSA-N 386.907 3.742 30 40 GHEB CN(CC#N)Cn1nc(Cc2cccs2)n(CCc2ccccc2)c1=S 62581144 UYSREOVSYONAHO-UHFFFAOYSA-N 383.546 3.722 30 40 GHEB C=CCSc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 14197985 JXQFMCJMUXKINP-UHFFFAOYSA-N 385.880 3.910 30 40 GHEB CCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O 4682480 NNHNDOVQNCYCIH-MAVBTGMRSA-N 395.528 3.777 30 40 GHEB COc1ccc(Cl)cc1NCCC(=O)N[C@H](C#N)c1ccc(F)cc1F 78456023 GOIGLBDMVGLOIM-MRXNPFEDSA-N 379.794 3.810 30 40 GHEB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 409102353 SEYHUNSFCJBCRR-RQZCQDPDSA-N 396.424 3.806 30 40 GHEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1 409056705 HWNKJAKDBWJMIF-OUYOUGTCSA-N 398.440 3.636 30 40 GHEB C=CCN1CC[C@@]2(CN(Cc3cc(C)cc(C)c3)C[C@@H]2c2nccs2)C1=O 306140863 VFUDTYFMEWMEFP-KNQAVFIVSA-N 381.545 3.764 30 40 GHEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1cccc(C(=O)O)c1 33684545 AXDFRKLZPUHKAN-CZZIWQEQSA-N 398.440 3.723 30 40 GHEB COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218390047 HPMXGTLDTOSKPY-CEXWTWQISA-N 375.877 3.745 30 40 GHEB CC[C@H](Sc1nnc(/N=C(\O)c2nc3ccccc3s2)s1)C(=O)OC 42379304 GPLJUJIOKMWTMV-VIFPVBQESA-N 394.503 3.828 30 40 GHEB CCOC(=O)c1sc(N/N=C/c2ccc(OC(C)C)c(OC)c2)nc1C 4070748 FTJJBNGOVBMRLH-VXLYETTFSA-N 377.466 3.870 30 40 GHEB CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165178 MFGDAEKDIRQPFB-VBKZILBWSA-N 376.416 3.686 30 40 GHEB CCSc1ccccc1C(=O)NCC1CCN(c2ncccc2C#N)CC1 70929236 OVGWZUNKWBUNGG-UHFFFAOYSA-N 380.517 3.712 30 40 GHEB Cc1cc2cc(C#N)c(NCCNC(=O)c3ccc(F)c(F)c3)nc2cc1C 4964556 XJLLYIPODMMIMY-UHFFFAOYSA-N 380.398 3.843 30 40 GHEB COc1cccc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1OC 102353648 HDHLBOWQQIFEDE-DEDYPNTBSA-N 395.455 3.741 30 40 GHEB C#CCOc1ccc(Cl)cc1C(=S)N1CCN(Cc2ccccc2)CC1 6157388 ZQNPZXYJLSTHTK-UHFFFAOYSA-N 384.932 3.845 30 40 GHEB Cn1c(SCCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1F 32869801 GCDXYVUQVRXWFQ-UHFFFAOYSA-N 387.465 3.675 30 40 GHEB CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c(C#N)cc1C 663295 FJGIRPGGWMNQDD-UHFFFAOYSA-N 382.514 3.977 30 40 GHEB C=CCN(C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12326221 RMABRJUVAVRWAW-IBGZPJMESA-N 377.488 3.556 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 6053158 PDTYKKMFVNAYKV-UHFFFAOYSA-N 391.452 3.636 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cn(C)c3ccccc23)c1 5261461 ROHFBZDKAYJPJE-UHFFFAOYSA-N 389.455 3.899 30 40 GHEB COc1ccc(CNC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 8747536 YNVJMTCVRYYJOQ-UHFFFAOYSA-N 395.406 3.698 30 40 GHEB COc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 18941189 DDZZMKUOVHHFLQ-YBFXNURJSA-N 387.486 3.668 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 408529495 IDMWUKJLFHHXHY-LGMDPLHJSA-N 396.493 3.798 30 40 GHEB C#CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408775484 HQKNVHBPVFXBFK-FBHQFGEZSA-N 394.496 3.869 30 40 GHEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(OC)cc1 224870070 RVWIGGIQRAGHED-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB C=CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(C)ccc21 100874069 ZPXQYZNXAFMGQC-DQRAZIAOSA-N 398.484 3.964 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(Cl)c1 2502030 XJWXXNPGOWRCTR-INIZCTEOSA-N 376.865 3.719 30 40 GHEB CC[C@@H](C)c1ccc(C(=O)COC(=O)C2=C(Nc3ccccc3)OCC2=O)cc1 6653999 BGLQCJFWRRPAGF-OAHLLOKOSA-N 393.439 3.849 30 40 GHEB COc1ccc(N2C(=O)C[C@H](Sc3nc(CC(C)C)ccc3C#N)C2=O)cc1 100631600 RXOZVAQMDRYKDI-SFHVURJKSA-N 395.484 3.585 30 40 GHEB C=CCc1cc(/C=N/c2cccc(C(=O)O)c2C)cc(OC)c1OCC(=O)O 59302574 IBLYRMZOSLRKKN-SSDVNMTOSA-N 383.400 3.644 30 40 GHEB N#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)c1 3363333 SNGUFBPWZASYRT-QFIPXVFZSA-N 381.435 3.764 30 40 GHEB CCOc1ccc2oc(C(=O)OCC(=O)Nc3sccc3C#N)c(C)c2c1 3334720 JZNMCHLLJBNTCZ-UHFFFAOYSA-N 384.413 3.869 30 40 GHEB CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9110128 JWPXIVWVMGMUSJ-MJGOQNOKSA-N 388.467 3.724 30 40 GHEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(O)c(O)c1 33348350 AZPDGIOSNYXJHE-RIYZIHGNSA-N 391.246 3.752 30 40 GHEB N#Cc1ccc(COCC2CCN(C(=O)NCCc3ccccc3)CC2)cc1 77191707 UQGNDBLLFZZJQF-UHFFFAOYSA-N 377.488 3.739 30 40 GHEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222922876 QOYLJVQDXZZHRA-OAHLLOKOSA-N 388.870 3.741 30 40 GHEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1F 146347027 BYWDDORXSKBAAB-FSJBWODESA-N 385.464 3.940 30 40 GHEB Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)[nH]n1 257235521 GYEXNJPYBMNFGV-UHFFFAOYSA-N 382.468 3.843 30 40 GHEB CC1(C)/C(=C/C=C2/C=CC=CC2=O)N(CCCS(=O)(=O)O)c2ccccc21 1570009247 YIVLCIYZFGXDBT-BLGUCIKASA-N 385.485 3.568 30 40 GHEB CN(C)c1ccc(/C=C2\C[N+](C)(C)C/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 5615686 BYHUEJIXMCUORK-YHARCJFQSA-N 390.551 3.945 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c1 24778463 XOFAWNRWGYTILV-QHCPKHFHSA-N 397.430 3.815 30 40 GHEB Cc1ccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)cc1 12418522 XRIXTGFHFHREJJ-UHFFFAOYSA-N 378.457 3.546 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC 100765513 HVKCUMZDIMUDDH-SFTDATJTSA-N 395.474 3.861 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)CCC)nc2ccc(Cl)cc2c1=O 3369884 MKEKNOBYGGHRQB-GFCCVEGCSA-N 379.913 3.633 30 40 GHEB N#Cc1ccccc1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 7005939 DPSISVRAHAUSLW-DEOSSOPVSA-N 381.435 3.748 30 40 GHEB Cc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32643278 VLADOLKNQLIZRI-UHFFFAOYSA-N 376.416 3.970 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1 102584337 PBOQMBKQRZLVPL-YDJIHCHBSA-N 395.455 3.931 30 40 GHEB CC(=O)Oc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 100072348 QSKRZXWVPPSQHS-LPYMAVHISA-N 395.440 3.558 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nccs2)cc1 102877197 UGVNWAYELMODSX-HVESIFNPSA-N 392.436 3.778 30 40 GHEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1 8117448 SKJRZHAMAXAESI-UHFFFAOYSA-N 394.500 3.794 30 40 GHEB C#C[C@](C)(CC)NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 1074414 ZQHDPPQYESUYML-LJQANCHMSA-N 386.377 3.947 30 40 GHEB COc1ccc(CCC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc1 24981620 HSWLNJLKOGGKOE-UHFFFAOYSA-N 377.488 3.850 30 40 GHEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 2284769 ZUDJOPLDERZQBH-QGZVFWFLSA-N 379.508 3.946 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 17014652 XRZPPEFAOCFLAC-GOSISDBHSA-N 378.384 3.668 30 40 GHEB N/C(Cc1ccccc1)=N/OCc1nnc(-c2cccc(Br)c2)o1 63740260 OAYJUORGHBIWBN-UHFFFAOYSA-N 387.237 3.531 30 40 GHEB N#Cc1c(NC(=S)NC(=O)COc2ccccc2Cl)sc2c1CCC2 6258721 OIUVVBYHWGWSCA-UHFFFAOYSA-N 391.905 3.654 30 40 GHEB O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F 18115195 OXDYMAMTDLXYLF-CQSZACIVSA-N 393.390 3.953 30 40 GHEB C=CCn1c(CC)nnc1SCC(=O)Nc1ccc(Br)cc1 9328412 PJECTIYRFMGGGZ-UHFFFAOYSA-N 381.299 3.520 30 40 GHEB COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1Br 20195710 GLNRPSHXZAXCEG-VXLYETTFSA-N 379.254 3.599 30 40 GHEB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 409176257 ZHVWNOMLGHARIZ-LICLKQGHSA-N 391.452 3.850 30 40 GHEB C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[S@](=O)C1 556788482 HLSKDXJPSBRAJN-QZXCRCNTSA-N 383.473 3.583 30 40 GHEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)COC)cc1 225660512 GEVNDJDNWWVQHI-AABGKKOBSA-N 389.904 3.998 30 40 GHEB C=CCn1c(N2CCC(C(=O)NCc3cccc(F)c3)CC2)nc2ccccc21 12116491 HEBGQIYHSPUMQN-UHFFFAOYSA-N 392.478 3.894 30 40 GHEB N#Cc1cnn2c(O)cc(CSc3nn(-c4ccccc4)c(=S)s3)nc12 40114220 YPIDURCXWGFFFM-UHFFFAOYSA-N 398.498 3.576 30 40 GHEB CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1cccc(C(=O)O)c1 100260872 KUUNKBNNOIIUOH-NPQTWSAXSA-N 388.832 3.978 30 40 GHEB CC[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(OC)cc1)N(C)C 32907706 IYAPYACLUJZFEO-KRWDZBQOSA-N 394.504 3.706 30 40 GHEB CCOC(=O)/C(=C/n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1 8651802 GPYTZPJCWZTLOR-SDNWHVSQSA-N 397.412 3.894 30 40 GHEB C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 23081445 KIWXVYXPDOVNSK-JOCHJYFZSA-N 380.488 3.827 30 40 GHEB biogenic C=CCOc1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1OCC 59433742 LCWQIQPHZAMDNA-YDZHTSKRSA-N 380.448 3.818 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(O)c1 101315619 ACTWUIQIPUOVDZ-OPURJYLOSA-N 378.428 3.623 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2ccncc2)cc1)N1CCc2ccccc2C1 408730671 SZTIAXJEHCTHPS-HZHRSRAPSA-N 377.469 3.579 30 40 GHEB N#Cc1c(N)sc2c1CCN(c1nc(C(F)(F)F)nc3ccccc13)C2 12798524 RZJXZXOTWVHWMI-UHFFFAOYSA-N 375.379 3.727 30 40 GHEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1O 5445411 CGPRJACWJOMSPR-DNTJNYDQSA-N 385.298 3.782 30 40 GHEB C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccc(Cl)cc1 4943004 VLVHXYLWTLDQIW-UHFFFAOYSA-N 385.855 3.712 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)c1ccco1 675007748 MWVLXOGNPAVMQQ-OAHLLOKOSA-N 399.859 3.753 30 40 GHEB N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 585123613 KYLMIIJTJLVDNS-ZHALLVOQSA-N 390.439 3.689 30 40 GHEB Cc1c(/N=C2/C=C(c3ccc(Cl)cc3)OC2=O)c(=O)n(-c2ccccc2)n1C 15303855 KASHGOAVWWYHRV-QJOMJCCJSA-N 393.830 3.808 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ncccn2)cc1 6813230 WBRPGSSPGFOJPZ-INIZCTEOSA-N 377.425 3.629 30 40 GHEB CCc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 2746770 KQDARGLXYXMSPL-UHFFFAOYSA-N 375.216 3.507 30 40 GHEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cccnc3)c2C#N)C1 10002803 NQCGRTYBWTYAPD-AWEZNQCLSA-N 397.500 3.961 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c2ccccc21 226661609 XJEYIBOJDACAPL-ANFMWJBWSA-N 385.467 3.523 30 40 GHEB Cc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c1 12418525 FTGBPZTWNMGBLP-UHFFFAOYSA-N 378.457 3.546 30 40 GHEB Cc1ccc(/C=C2/CN(CC(=O)N(C)C)C/C(=C\c3ccc(C)cc3)C2=O)cc1 32831734 UQRRDYKQWHVRSU-BQGZOASHSA-N 388.511 3.743 30 40 GHEB C=CCc1cc(/C=N/c2ccc(C(=O)OCC)cc2)cc(OC)c1OCC(=O)O 59302886 SSYPQXGHTDGIGL-YDZHTSKRSA-N 397.427 3.814 30 40 GHEB COCCOC(=O)Oc1ccc([C@@H]2C(F)=C(N)C3=C2C(=O)CC(C)(C)C3)cc1 106461772 KMOWEAGSDDGXQY-INIZCTEOSA-N 389.423 3.771 30 40 GHEB CN(c1ccc(OC(=O)c2ccc(C#N)cc2)cc1)S(=O)(=O)c1ccccc1 89365258 KWYPJAZHHJZYKR-UHFFFAOYSA-N 392.436 3.603 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccc(F)cc2)cc1 409405219 NNAAGRZBOVWOAR-IDPBPBMLSA-N 390.414 3.546 30 40 GHEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(SC)cc1 224978163 ZNHCWJJNKAEVMA-UHFFFAOYSA-N 379.503 3.807 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccc3nccnc23)S/C1=N/c1nnc(C)s1 256055468 HYNFWYIWTFQLJH-BYUQXOGFSA-N 394.485 3.580 30 40 GHEB CCOc1cccc2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc12 4583488 NHNQJHGXEIVESA-UHFFFAOYSA-N 392.484 3.529 30 40 GHEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(C)C)cc1 20568851 FIJMEUZXYFATTA-OAQYLSRUSA-N 399.487 3.631 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 4606967 STQJJBNIZAJSGG-GOSISDBHSA-N 390.351 3.971 30 40 GHEB N#Cc1cc(C#N)c(SCC(=O)N(c2ccccc2)C2CCCCC2)nc1N 25607118 ABVMLILXIRGAOC-UHFFFAOYSA-N 391.500 3.865 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2ccc(C)cc2)[C@H]2C[C@@]1(C)Oc1ccccc12 2140344 ITYCOBHEGFQMOE-GREBRCKQSA-N 376.456 3.860 30 40 GHEB biogenic COc1cccc(-c2nc(C(=O)Nc3ccc(OCC#N)cc3)cs2)c1OC 12858114 JIVBDXUXKCBYTN-UHFFFAOYSA-N 395.440 3.982 30 40 GHEB COc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)cc1 48461115 KSLRACHHRLWQPA-VIFPVBQESA-N 375.855 3.523 30 40 GHEB COc1ccc(/C=N/Nc2ncnc3c2[nH]c2ccc(C)cc23)c(OC)c1OC 13598596 SSHLIUVVIXYWEZ-YSURURNPSA-N 391.431 3.891 30 40 GHEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1 13570063 NMDGJMYTCMZYQI-GOSISDBHSA-N 387.443 3.723 30 40 GHEB COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2F)C1=O 4699824 DOLUKRVJOYMXPW-HDKKRFQTSA-N 388.395 3.785 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2ccccc21 4816113 CXFRONMPZCDSSE-UHFFFAOYSA-N 390.512 3.736 30 40 GHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c1C 8078851 ZEORBIMAHXXJFG-CMDGGOBGSA-N 387.432 3.730 30 40 GHEB N#Cc1ccccc1NC(=O)CCN(Cc1ccccc1)C[C@H](O)c1ccco1 79053411 LIXAZVZBYYKPOY-NRFANRHFSA-N 389.455 3.716 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@H]2C)n1 260723282 XOHDJPCZNJNJJH-MRXNPFEDSA-N 388.585 3.564 30 40 GHEB COc1ccc(CCNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)cc1OC 5151386 TWXSLIGRQNNKHL-UHFFFAOYSA-N 394.387 3.793 30 40 GHEB N#Cc1ccc(S(=O)(=O)Cc2ccc(-n3cccn3)cc2)cc1C(F)(F)F 97109217 SYJKDIOOKKDAER-UHFFFAOYSA-N 391.374 3.737 30 40 GHEB N#Cc1ccc([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(C(=O)O)cc2)cc1 95476963 SQQLGLKIQDYHNS-SFHVURJKSA-N 390.424 3.866 30 40 GHEB CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 36619646 VFWBZQVNBRMXTQ-LJQANCHMSA-N 381.428 3.692 30 40 GHEB COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OCc1ccc(Cl)cc1 15587470 YMXOCYGODRBTFZ-SSDVNMTOSA-N 398.850 3.765 30 40 GHEB Cc1sc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)c(C#N)c1C 2590127 PXERWUDDBGWZBF-VGOFMYFVSA-N 398.513 3.741 30 40 GHEB COC(=O)c1ccc(/C=N/OCCOc2cccc(Br)c2)cc1 2664060 WUWQOAYZUNFYFC-XDHOZWIPSA-N 378.222 3.665 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 7017398 ZFSJUUBJHMWOHZ-UHFFFAOYSA-N 379.460 3.821 30 40 GHEB CCN1C=C(c2cs/c(=N/N=C/c3ccco3)[nH]2)[C@H](c2ccccc2)NC1=O 12321067 WOCNAFZDXPKNFE-NIQDBXHUSA-N 393.472 3.731 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C#N 12574365 UOSAJBSIAYAVCZ-GOSISDBHSA-N 395.484 3.539 30 40 GHEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 100215532 CEQQVZJXGKWXDV-VJGKAAADSA-N 392.436 3.631 30 40 GHEB N#Cc1ccc(CSc2nnc(NC(=O)COc3ccccc3)s2)cc1 6220904 AIQPCFVLTCRCOT-UHFFFAOYSA-N 382.470 3.720 30 40 GHEB O=C(O)COc1ccc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 409046158 JDKUFBUIBGOUON-CAOOACKPSA-N 379.166 3.571 30 40 GHEB C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Br)C1=O 409049523 XJXSTYQQVPMPCX-RIYZIHGNSA-N 396.262 3.526 30 40 GHEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(Cl)c(O)cc1O 5482118 JUAJJAOQMNDFDA-GZTJUZNOSA-N 380.744 3.794 30 40 GHEB N#C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)CCN1Cc1ccccc1 108080901 GZBRRDSGMXQIJQ-LJQANCHMSA-N 389.421 3.838 30 40 GHEB COC(=O)c1c(/N=C/c2cc(Cl)cc(OC)c2O)sc2c1CCN(C)C2 4739511 MODUUXWGWRGVAL-DNTJNYDQSA-N 394.880 3.641 30 40 GHEB CC(=O)Nc1ccc(C(=O)C[n+]2c3n(c4c(F)c(F)ccc42)CCCCC3)cc1 15953112 NEOFIBPLNQQSGZ-UHFFFAOYSA-O 398.433 3.775 30 40 GHEB C#CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc([C@H](CC)c2ccccc2)s1 72270435 RYBYZVOLGOGJAT-DLBZAZTESA-N 384.505 3.726 30 40 GHEB CCOc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1 409290895 NUANZRVQZZWEDD-UHFFFAOYSA-N 386.249 3.748 30 40 GHEB C=CCn1c(SCCCC(=O)OCC)nc2sc3c(c2c1=O)CCCC3 5709439 BAAPLYAYVYUHGJ-UHFFFAOYSA-N 392.546 3.958 30 40 GHEB N#Cc1ccc(N2CCCN(C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 51371293 ZTGOXWKHMOLPIG-HXUWFJFHSA-N 389.421 3.823 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102726438 PGJXERQWXDWQNP-GHNGSUTGSA-N 378.384 3.819 30 40 GHEB C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 100975160 FRTOGEQNVZUISY-DUUUWJQVSA-N 380.878 3.553 30 40 GHEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 20150133 RECLORKZHBXBGU-FQEVSTJZSA-N 390.439 3.573 30 40 GHEB O=c1[nH]ncc(N/N=C/c2ccc(OCc3ccccc3)cc2)c1Br 8337901 IWSSTVXRDMBOGR-KEBDBYFISA-N 399.248 3.557 30 40 GHEB Cc1ccc(COc2ccccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409402187 DGHPJTDSQOFWKY-YHDSQAASSA-N 386.451 3.715 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 12936768 IZRIYRQKVPVBLJ-INIZCTEOSA-N 389.908 3.510 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4[C@@H](C)C=C(C)C[C@@H]4C)c(O)nc3c2c1 8743467 VJKINILCVSZAGY-DOPUNYGQSA-N 380.448 3.664 30 40 GHEB N#Cc1cccc(COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 9055413 FRNFCOCTZANIIK-UHFFFAOYSA-N 382.375 3.716 30 40 GHEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccccc1O 409147713 YTLBLKIQDXNCGW-OHHAYCLSSA-N 394.430 3.618 30 40 GHEB C=CC(=O)Nc1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 1176612184 QVKVJKVVRAIYSQ-UHFFFAOYSA-N 384.285 3.510 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4CC(C)=C(C)C[C@H]4C)c(O)nc3c2c1 16036505 ZPDWUVYSLUJLPN-UUKFQKTPSA-N 380.448 3.808 30 40 GHEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 4952267 HEQLQHNMWPJCQT-OJIBODITSA-N 397.500 3.948 30 40 GHEB CC(C)c1noc(C2CCN(c3ncc(Br)cc3C#N)CC2)n1 1857794631 FRVFCGJLESTSQQ-UHFFFAOYSA-N 376.258 3.606 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)CSc1nnc(-c2ccccc2)o1 2618227 FFKHGXYRRBJGCT-UHFFFAOYSA-N 394.456 3.784 30 40 GHEB CC(=O)Nc1ccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 32744857 XEENISGCJYDSPJ-BKUYFWCQSA-N 392.455 3.682 30 40 GHEB C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC)c2)o1 6956156 JGQILSGWFOCYLS-SRZZPIQSSA-N 391.880 3.761 30 40 GHEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 102643249 AQFVKQYKABSMIX-SELCWUDQSA-N 399.830 3.627 30 40 GHEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105544436 BVKBMUWTEMZLNR-AVGNSLFASA-N 394.397 3.697 30 40 GHEB COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 48287811 WIOHTKXYRSAHQX-UHFFFAOYSA-N 384.867 3.779 30 40 GHEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC 408781008 PSGOAOCEYYYYDB-XMHGGMMESA-N 390.439 3.789 30 40 GHEB N#Cc1ccc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 38335927 GSHWWJJLYPQQOD-UHFFFAOYSA-N 380.801 3.948 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccco4)nc13)O2 5352014 FAJUQGLAMLDVCZ-QGZVFWFLSA-N 384.395 3.916 30 40 GHEB CCc1nnc(S)n1/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl 6497101 UOXHBDZNLOAHEW-QGMBQPNBSA-N 381.292 3.812 30 40 GHEB COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccnc2)cc1OC 9306613 RFSRTQCGFVZUPU-UHFFFAOYSA-N 390.443 3.559 30 40 GHEB C=CCSc1nnc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 9764108 FORVZQHWJZJINS-UHFFFAOYSA-N 379.507 3.579 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2C(F)(F)F)C1=O 408536437 RIZMKZOJHXZUCQ-LBPRGKRZSA-N 389.333 3.615 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@H]2C)n1 260715345 NITQNUKWRISLFZ-HZPDHXFCSA-N 388.585 3.564 30 40 GHEB CCOc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1 101354585 XRTMCDCMQHILGU-UHFFFAOYSA-N 385.423 3.857 30 40 GHEB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1cccc(C#N)c1 9054424 PBPUOVJRMKMYCW-AWEZNQCLSA-N 396.520 3.594 30 40 GHEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccncc1 934601 PQKHBMFCRYLLPS-UHFFFAOYSA-N 385.221 3.895 30 40 GHEB CCN(CC)CCCN1/C(=N/c2cccnc2)SC[C@@]1(O)c1cccs1 3331116 HBWXFBXADFVPKX-SRIJWZPRSA-N 390.578 3.757 30 40 GHEB CCc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3OC)OCO4)S2)cc1 409094904 GQPGPSFLKCDOKN-GIJQJNRQSA-N 382.441 3.878 30 40 GHEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1cc2cccc3c2n(c1=O)CCC3 524731901 OMTLMEQZMBLZHO-OAHLLOKOSA-N 377.440 3.621 30 40 GHEB biogenic COc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2C#N)c(OC)cc1Cl 5579177 YXAZJPDXYDDGHQ-UHFFFAOYSA-N 380.853 3.647 30 40 GHEB C=CCNC(=O)COc1ccccc1-c1noc(/C=C/c2ccc(F)cc2)n1 40488366 NBISCHNGWWTGIH-FMIVXFBMSA-N 379.391 3.727 30 40 GHEB CCN1C(=O)/C(=N/c2ccccc2C(=O)OC)c2cc(Br)ccc21 6496967 DERNQHIELVMACJ-CAPFRKAQSA-N 387.233 3.723 30 40 GHEB CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C(=O)O)cc1 33932188 OUNLRDPTTCFMPL-PPVAIKJXSA-N 383.385 3.527 30 40 GHEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 48365061 UIFKMSYVGVKYHT-FQEVSTJZSA-N 389.415 3.748 30 40 GHEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O 4385957 ILXGMNNCLLJBNW-SFHVURJKSA-N 375.472 3.926 30 40 GHEB Cc1ccc(N2C(=O)[C@@](O)(C(F)(F)F)C/C2=C\C(=O)c2ccccc2)cc1 5572815 MQWFOLUHJIVDGZ-KZIRBZLESA-N 375.346 3.792 30 40 GHEB N#Cc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)ccc1F 66813857 PVYQKZCMQCFTLM-UHFFFAOYSA-N 389.191 3.503 30 40 GHEB O=C(Cn1cc(/C=N\c2ccc(Cl)cc2O)c2ccccc21)N1CCOCC1 408960314 DSRIPWLLOLYWSO-FMCGGJTJSA-N 397.862 3.610 30 40 GHEB C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl 32564188 CXUOYTVEQLAWIR-YVLHZVERSA-N 387.686 3.805 30 40 GHEB O=C(COc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1)OCc1ccccc1 32634060 OBOIAYSULDBOKT-DARPEHSRSA-N 391.423 3.935 30 40 GHEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(SC)cc1 224980709 FILQFESNTUNWDT-UHFFFAOYSA-N 377.487 3.576 30 40 GHEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC(C)CC2)n1 225924822 ZHSNPJVJXNMRAL-UHFFFAOYSA-N 383.521 3.978 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 67109133 WBQRACRLHVNTJF-CVEARBPZSA-N 390.361 3.637 30 40 GHEB CCOC(=O)c1sc(N/N=C/c2cc(Br)ccc2O)nc1C 5247561 GAFQVRSMEWHVSQ-FRKPEAEDSA-N 384.255 3.542 30 40 GHEB CN1/C(=C\C(=O)COC(=O)c2ccc3[nH]ncc3c2)C(C)(C)c2ccccc21 29320548 UFAHHNVZFDOECF-JAIQZWGSSA-N 375.428 3.600 30 40 GHEB N#Cc1cn(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)nc1N 2743510 JFKBTRVGYVESAL-UHFFFAOYSA-N 377.187 3.504 30 40 GHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C(C)C 12389041 NJTORAAUXVTBDK-UHFFFAOYSA-N 390.505 3.727 30 40 GHEB COc1ccc(CC(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)cc1 872044 IZAQQLPZUSGXJM-UHFFFAOYSA-N 397.500 3.744 30 40 GHEB CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 12442691 AJBKOMZWRILFBE-BKUYFWCQSA-N 395.455 3.890 30 40 GHEB Cc1ccc2nc(C)c(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cc2c1 12794715 HVYZLAIVQJBQFB-QHCPKHFHSA-N 384.483 3.874 30 40 GHEB CCc1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 3461271 OQTSHJGKJCLURF-SFHVURJKSA-N 389.550 3.991 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2cc(C)ccc2OC)c1C 3542807 LJPMKGYVIKJJEI-UHFFFAOYSA-N 397.504 3.559 30 40 GHEB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(/N)c1ccc([N+](=O)[O-])cc1 17084009 RUCVLJSZUVCTEN-ZDUSSCGKSA-N 385.420 3.523 30 40 GHEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O 18196805 DUGLINPNJWYLND-FQEVSTJZSA-N 395.411 3.703 30 40 GHEB O=c1[nH]ncc(N/N=C/c2c(Cl)ccc(Cl)c2Cl)c1Br 6622462 VBVVLGGZGPHVDE-HQYXKAPLSA-N 396.459 3.939 30 40 GHEB O=C(C1=C(O)C(=O)N(c2cncnc2)[C@H]1c1ccccc1Cl)c1ccccc1 5887567 QYPSNEVKMDANHR-SFHVURJKSA-N 391.814 3.913 30 40 GHEB COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 30673266 VZWKCZXNHAVBFF-UHFFFAOYSA-N 399.878 3.616 30 40 GHEB CCCC(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CCCC3)CC1 20573781 CRIRQEIUAMGTKN-UHFFFAOYSA-N 378.476 3.541 30 40 GHEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CCCCC2)C1 102683874 QNNXJGVOSXPZJY-WMZOPIPTSA-N 391.519 3.922 30 40 GHEB CN1/C(=C\C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)c2ccccc21 32940008 BJMUSPKBATTWDT-YBEGLDIGSA-N 386.429 3.694 30 40 GHEB COc1cc(/C=N/OCC(=O)N2CCCc3ccccc32)ccc1OC(F)F 3326091 DNQGPHBUJJCLEX-FSJBWODESA-N 390.386 3.627 30 40 GHEB CC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 113856533 CEWGSOUSXHDGEK-CAOOACKPSA-N 378.182 3.772 30 40 GHEB COc1ccc(CN(C(=O)CSc2nc(C)cc(C)c2C#N)C2CC2)cc1 39983579 OCOLTYRXHXOBJM-UHFFFAOYSA-N 381.501 3.862 30 40 GHEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(Cl)cc3Cl)C2=O)cc1 408537316 VERRTUFKLWUXLJ-ZDUSSCGKSA-N 390.226 3.903 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(C(C)C)cc4)c(O)nc3c2c1 2298716 GEEJLJDIGITPEM-SSDVNMTOSA-N 376.416 3.598 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/S(=O)(=O)c1cccs1 100974461 IPIHFEXEEPDPNR-GCRZPWQESA-N 396.490 3.568 30 40 GHEB C/C(=N\Nc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1csc(N)n1 54280380 LGTGQVQWTRYVIQ-FYJGNVAPSA-N 386.502 3.703 30 40 GHEB COc1c2c(cc3c1[C@H](C#C[C@]1(C)CCCC(C)(C)O1)[N+](C)(C)CC3)OCO2 1280229 XPNINXWCURKQBU-SBUREZEXSA-N 386.512 3.839 30 40 GHEB biogenic COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(N)=O)n2)cc1 1279073 OBQKRRAAJMZDQL-UHFFFAOYSA-N 375.453 3.873 30 40 GHEB C[C@H](C(=O)Nc1sccc1C#N)N1CCC(c2nc3ccccc3o2)CC1 24985766 HAIJBHJQSRMVHV-CYBMUJFWSA-N 380.473 3.968 30 40 GHEB CC(C)c1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 2328299 BXTSGFVFSCKPHM-MRXNPFEDSA-N 384.439 3.641 30 40 GHEB COc1cc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)cc(OC)c1OC 12876947 SAUGYWKQUYESGP-IUXPMGMMSA-N 398.411 3.605 30 40 GHEB biogenic C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 8691455 HVRRYBKKUQWSHY-OEAKJJBVSA-N 391.500 3.532 30 40 GHEB O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1ccccc1Cl 5032996 PWIJXKMITNELJZ-UHFFFAOYSA-N 385.832 3.738 30 40 GHEB COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c(C)c1 4691610 UFPSZFAWYGZKPA-OUYOUGTCSA-N 382.441 3.936 30 40 GHEB C[C@H](O/N=C(\N)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 15281087 DFSRPQWYANEJDC-KRWDZBQOSA-N 389.455 3.930 30 40 GHEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc([N+](=O)[O-])c1O 409277810 CFAOFCDNVRIMOQ-UHFFFAOYSA-N 392.415 3.940 30 40 GHEB CN1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2F)CC1 95456248 FRPUUBYGUWDOPJ-OAHLLOKOSA-N 394.475 3.677 30 40 GHEB Cc1sc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N=C3O)c2C)c(C#N)c1C 33367796 PXERWUDDBGWZBF-AUWJEWJLSA-N 398.513 3.741 30 40 GHEB C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 223876274 MYAHILZNNLBXOL-AWEZNQCLSA-N 375.515 3.859 30 40 GHEB Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N/N=C/c2ccc(F)s2)n1 252479233 BBUWPVHXCXGQLF-CGOBSMCZSA-N 384.362 3.851 30 40 GHEB CCOC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1 4280356 FIKYVUYVAGBVGL-UHFFFAOYSA-N 383.473 3.706 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 32769759 SXQAFVOVRFIXJQ-AWEZNQCLSA-N 382.869 3.738 30 40 GHEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2658038 RNUPEVJZDNIMRA-UHFFFAOYSA-N 375.350 3.666 30 40 GHEB C=CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2 22475932 ALIVPPLVCWYDEK-UHFFFAOYSA-N 386.477 3.951 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccnc2)o1 796038 AZDUUAVSKYQIDB-FQEVSTJZSA-N 388.423 3.804 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2304677 DUMBQKNBUVRSRL-UHFFFAOYSA-N 397.438 3.537 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12789643 HZPWXWDDEYTTHK-POTBRQHYSA-N 375.523 3.572 30 40 GHEB COc1ccc([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C3=C2C(=O)CCC3)cc1 4023862 UEQZDZDZTHOFJU-SFHVURJKSA-N 391.423 3.921 30 40 GHEB biogenic C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccn1 5047406 OHFAIAQVLHKHGY-UHFFFAOYSA-N 379.489 3.874 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc(N2CCCC2=O)cc1 19212011 ATVGWMYVVOJOMR-UHFFFAOYSA-N 375.384 3.596 30 40 GHEB C#CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409232095 NYZTYOZTFXGOBT-SFQUDFHCSA-N 396.830 3.848 30 40 GHEB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1C 4784418 DRCOTAUYGLNLIU-QHCPKHFHSA-N 376.456 3.723 30 40 GHEB CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)nc(N)c32)cc1 6859092 NTRNOFNDZOZXFW-OAHLLOKOSA-N 395.532 3.988 30 40 GHEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1nccs1 27526095 NAZXASWNOCCHQR-UHFFFAOYSA-O 394.307 3.791 30 40 GHEB N#Cc1cccnc1Oc1ccc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1 61720267 MGCMHHSGXZZDRV-OFNKIYASSA-N 382.423 3.670 30 40 GHEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCCC2 409062825 BIWPRUGCUDYRHH-LPYMAVHISA-N 396.472 3.994 30 40 GHEB CC1(C)Cc2c(C#N)c(OCCOc3ccccc3)nc(N3CCCC3)c2CO1 71280041 UIKMSTZRNDYIAA-UHFFFAOYSA-N 393.487 3.863 30 40 GHEB C=CCOc1cccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)c1 222398224 QAPMFXSXMONYBL-UHFFFAOYSA-N 388.489 3.680 30 40 GHEB CN(C)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197662 QKICWWUZNWHAOB-XOBRGWDASA-N 391.500 3.821 30 40 GHEB Cc1ccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc2c1C 2087048799 SNWSVINELUBIRN-CALCHBBNSA-N 375.501 3.752 30 40 GHEB Cc1nc(COc2ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H]3CO3)cc2)cs1 35942955 UAYRBMFZWOIYTC-ZWKOTPCHSA-N 390.505 3.865 30 40 GHEB CC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O 16995620 ZUYSETILOAOKGJ-OJIBODITSA-N 397.500 3.948 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 8959523 HZUFGGUKHJBQNI-UHFFFAOYSA-N 394.471 3.814 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1cccnc1 103343230 GHJUTGZZZGEPNL-HLLBOEOZSA-N 385.537 3.559 30 40 GHEB CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 34868082 ZNYHAGGJCDKVGH-UHFFFAOYSA-N 385.489 3.533 30 40 GHEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)O)c1 3239397 JWOWGPWFVDXXAZ-UHFFFAOYSA-N 385.363 3.785 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccnc1 8471816 SVNNXWWTBBFKAH-OAHLLOKOSA-N 391.500 3.596 30 40 GHEB C=CCN(CC=C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 14198988 VQTXTGHFJQMKFC-UHFFFAOYSA-N 391.427 3.556 30 40 GHEB CCOc1ncccc1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 7159343 LPMVKVAAKAGPOF-CPNJWEJPSA-N 380.444 3.518 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 19925612 GEHCJYYGLKHYBD-FQEVSTJZSA-N 378.472 3.525 30 40 GHEB CCOc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1 35291658 PZVOKPYIPLOWFN-UHFFFAOYSA-N 391.496 3.956 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 20171830 MXOQBZXMDSUJSG-IBGZPJMESA-N 398.528 3.977 30 40 GHEB C#CCOc1ccc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1OCC 6960601 DNKZEZRUGQJCEM-KRWDZBQOSA-N 377.531 3.525 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1OC 2776591 VVFAQQJSTJHJFY-HXUWFJFHSA-N 385.460 3.625 30 40 GHEB N#Cc1cccnc1Oc1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1 61720266 MGCMHHSGXZZDRV-NFBKMPQASA-N 382.423 3.670 30 40 GHEB O=[N+]([O-])c1ccc(/C=N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)o1 3188465 QLALOXZHSKLISX-FWSOMWAYSA-N 386.371 3.889 30 40 GHEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(N2CCCC2)cc1)CCCC3 2123591 VWGYFOCIHVETGZ-YDZHTSKRSA-N 378.501 3.819 30 40 GHEB CCOc1cc([N+](=O)[O-])cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1O 13388288 NHMNOADPYIWEDG-OQLLNIDSSA-N 385.401 3.591 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccncc1 18195877 SPCIWHKEBDVFPW-SFHVURJKSA-N 386.455 3.761 30 40 GHEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OCC 6387884 CBJHHGBOGUBMSV-JXAWBTAJSA-N 392.480 3.702 30 40 GHEB COc1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OC 6453593 GVMOMBBOQIJPJY-IGCPIRJNSA-N 391.252 3.754 30 40 GHEB Cc1ccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)c(=O)c3c2CCCC3)cc1 6767415 TYJNGYSSVSINJP-UHFFFAOYSA-N 398.466 3.608 30 40 GHEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2 95940083 ATKYQLOGPJYSHH-AOIWGVFYSA-N 399.409 3.727 30 40 GHEB C=CCN1CC[C@]2(CN(Cc3cc(C)cc(C)c3)C[C@@H]2c2nccs2)C1=O 306140862 VFUDTYFMEWMEFP-DENIHFKCSA-N 381.545 3.764 30 40 GHEB Cc1c(-c2nnc(Nc3ccccc3)s2)nn(-c2ccccc2)c(=O)c1C#N 5336398 LGGUVZATFJADMT-UHFFFAOYSA-N 386.440 3.675 30 40 GHEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 5377151 KLMRJEAUFFHLGG-AUUYWEPGSA-N 377.835 3.742 30 40 GHEB O=C1C=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2cc3ccccc3cc21 20150228 HUUHMFPCOZIJNC-UHFFFAOYSA-N 382.463 3.921 30 40 GHEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 9012359 FVKPJXSONXCYPI-ODXCJYRJSA-N 376.391 3.539 30 40 GHEB C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 23081447 KIWXVYXPDOVNSK-QFIPXVFZSA-N 380.488 3.827 30 40 GHEB biogenic COc1cccc2ccc(/C=C3\S/C(=N/c4nccs4)N(C)C3=O)nc12 102751830 CWRGHOYYRSTQRT-BYUQXOGFSA-N 382.470 3.934 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2cccc(F)c2C#N)cc1 26227140 OZMUGWJOZAKJAD-AWEZNQCLSA-N 375.469 3.901 30 40 GHEB C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 3212024 XYVXKFPUBOQIIV-UHFFFAOYSA-N 381.476 3.715 30 40 GHEB N#Cc1ccc(OCCN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 15524114 NCNUFZPAHNYBIO-UHFFFAOYSA-N 390.409 3.563 30 40 GHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc([N+](=O)[O-])cc1 16157359 UECASUQEZITVEI-JMIUGGIZSA-N 380.364 3.752 30 40 GHEB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 7824593 VXJGCJZQUFPKHH-GOSISDBHSA-N 388.471 3.504 30 40 GHEB C[C@@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)NC1(C#N)CCCCC1 8429167 VUHNZKJDWYLLMS-RHSMWYFYSA-N 381.505 3.885 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(CC(C)C)CCCC1 79070194 RQLWPCYNLYHBKN-UHFFFAOYSA-N 381.524 3.873 30 40 GHEB COC(=O)c1ccc([C@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 35999999 TTYFPQQXVOHDAF-BHDDXSALSA-N 397.434 3.589 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C#N)[C@@H]2c2ccc(Br)cc2)cc1 218226063 IQUCXSAAPCXLAT-IKGGRYGDSA-N 376.275 3.837 30 40 GHEB C#CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 85346879 FOPWFFZRDHEIGG-VMPITWQZSA-N 376.162 3.807 30 40 GHEB O=C1CS/C(=N\Cc2ccccc2)N1/N=C/c1ccc(Br)cc1 101063332 LXZYMQSKEGBYIO-MXPDZRDSSA-N 388.290 3.915 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 101662079 XOORRGVNYNAAGD-YCRPNKLZSA-N 391.487 3.674 30 40 GHEB CCCCCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 4056580 ALRLHKLDTIPBPW-FQEVSTJZSA-N 382.464 3.878 30 40 GHEB COc1cccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)c1O 5662039 RIBVYXRIQNEASU-OEAKJJBVSA-N 386.411 3.546 30 40 GHEB Cc1cc(C)n(-c2ccc(/C(N)=N/O[C@@H]3CCCc4ccc(F)cc43)cn2)n1 89595668 DEKOEYVBQLPFEB-LJQANCHMSA-N 379.439 3.738 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408810983 NETQTNLMXNNOFE-GHRIWEEISA-N 376.412 3.535 30 40 GHEB CCc1ccccc1NC(=O)[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccccc1)C2 17079312 DERFBXSMYLWUCC-MSOLQXFVSA-N 388.467 3.724 30 40 GHEB C=CCN1CCN(C(=O)CCC)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19501437 WEYSQJDEDFFWGW-QFIPXVFZSA-N 391.515 3.564 30 40 GHEB Cc1cccc2c1[nH]c1nc(N/N=C\c3cc4c(cc3Cl)OCO4)nnc12 32123351 SWCMANYILHSBAP-SCDVKCJHSA-N 380.795 3.643 30 40 GHEB COc1ccc(/C=N/NC(N)=S)cc1OCc1c(Cl)cccc1Cl 658061 DSFDKFIBWHXANN-DNTJNYDQSA-N 384.288 3.748 30 40 GHEB C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 9938751 MTRSYOOTOIGMPJ-INIZCTEOSA-N 391.450 3.929 30 40 GHEB O=C(COc1ccc(Br)cc1/C=N\O)Nc1ccccc1Cl 409271835 NUGBWKQKBDGPCZ-LSCVHKIXSA-N 383.629 3.928 30 40 GHEB Cc1cc(C)nc(NN/C=C2/C(=O)[C@@H](c3ccccc3)C(=O)c3ccccc32)n1 17730245 HKVZMZKQCGSCLI-ACSPXDACSA-N 384.439 3.600 30 40 GHEB CCOC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218056446 NAJCPNJCFQUMKQ-QYZOEREBSA-N 375.877 3.826 30 40 GHEB O=[N+]([O-])c1ccc(CS(=O)(=O)/N=C(\O)c2cc3ccccc3s2)cc1 42339598 SHSLLZZEXKUJBW-UHFFFAOYSA-N 376.415 3.644 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccc(C)cc2)cc1 104248966 AKEXBZLHASRRLX-GROYHEBESA-N 391.452 3.781 30 40 GHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1ccccc1 100193104 GOHJUGURNICBJU-MBOBHEEDSA-N 383.473 3.675 30 40 GHEB COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)S 1857794318 DTJMXLBLDPYRKY-GOSISDBHSA-N 385.485 3.775 30 40 GHEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])o1 103436844 SYEMUMXICBRBLO-HEHNFIMWSA-N 382.763 3.639 30 40 GHEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(F)cc1 6759601 QNVKWUGVAGKZEM-UHFFFAOYSA-N 387.436 3.561 30 40 GHEB Cc1cccc(C)c1OCc1nnc(SCC(=O)c2ccc(C#N)cc2)n1C 9328113 PYFHWPMDLYOSNU-UHFFFAOYSA-N 392.484 3.858 30 40 GHEB O=S(=O)(Oc1ccc(Br)cc1/C=N/O)c1ccc(Cl)cc1 409075511 WNICYSOZZZGSKB-LZYBPNLTSA-N 390.642 3.678 30 40 GHEB N#Cc1cc2c(nc1N1CC[C@H]3[C@H](CCCN3Cc3ccccc3)C1)CCOC2 572333088 CLZORHQUJVQPJU-XXBNENTESA-N 388.515 3.517 30 40 GHEB COc1ccc(OCc2nc(SCc3ccccc3F)nc(N)c2C#N)cc1 223695060 ZEDUBOGCJQDYSB-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB N#Cc1cccc(Oc2ccc(NC(=O)Cn3ccc(C(F)(F)F)n3)cn2)c1 603622231 OWIUYMVEBJIXBF-UHFFFAOYSA-N 387.321 3.600 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(O)c1)c1cccs1 85409723 ZNNRGVGFHKZONB-CQSZACIVSA-N 384.438 3.693 30 40 GHEB C=CCN1CCN(C(=O)CCC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19501434 DVZBSPMICOIEQK-JOCHJYFZSA-N 391.515 3.564 30 40 GHEB COc1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] 5527366 DDYKKWFFONFHQC-ZBJSNUHESA-N 377.356 3.608 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C(=O)OCC)ccc21 100874104 VRLOHNHVMAURPB-LNVKXUELSA-N 391.452 3.678 30 40 GHEB COc1ccc(C(=O)C[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1OC 2119118 NEPBDEDAABKOQS-OAHLLOKOSA-N 385.416 3.610 30 40 GHEB biogenic N/C(=N/OCc1cccc(C(F)(F)F)c1)c1cccnc1N1CCCCC1 58368841 XXPVUUVACNPRLM-UHFFFAOYSA-N 378.398 3.928 30 40 GHEB N#Cc1ccc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 7707016 CICUKYYGITXSNO-QFIPXVFZSA-N 384.435 3.643 30 40 GHEB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]2OC(C)=O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 118928812 GBEMDSZXTFIZDP-IJZRVPMXSA-N 388.504 3.992 30 40 GHEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3cc(OC)c(OC)cc32)cc1 223735471 ANZIXHRIKBUPAS-ATJXCDBQSA-N 397.500 3.544 30 40 GHEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)c1 1775972589 LZENQFXXPPRJGV-KRWDZBQOSA-N 384.867 3.607 30 40 GHEB COc1ccc(Br)cc1/C=N/NCc1ccc(OC)c(OC)c1 20196343 HTEPYFNFCDAAKV-RGVLZGJSSA-N 379.254 3.599 30 40 GHEB CC(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)cc1 22468172 DGANBUKSSCOBGI-HMAPJEAMSA-N 392.499 3.879 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 106519797 MPRLKIZTABBKSB-JVOBEXOSSA-N 391.556 3.598 30 40 GHEB N#Cc1ccc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 6083375 LYQWPYTUPNRFRY-QGZVFWFLSA-N 393.468 3.759 30 40 GHEB C=CCc1ccc(OCC(=O)Nc2cc(C)nn2-c2ccccc2)c(OC)c1 18192588 YZSGLJQJRRXDCC-UHFFFAOYSA-N 377.444 3.935 30 40 GHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1C 9313716 SYQDSYAXSUPZEB-CSKARUKUSA-N 387.432 3.730 30 40 GHEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 26532267 GPDOCEJHEZYVPP-LJQANCHMSA-N 386.407 3.879 30 40 GHEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)ccc1OC 218660505 DBBLLFFRBZXHBC-UHFFFAOYSA-N 393.443 3.755 30 40 GHEB O/N=C1/C[C@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@@H]2CO[C@H]1O2 1070681 ARSOMLNPDAIQKS-XTGYYQNHSA-N 379.388 3.517 30 40 GHEB CCOC(=O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10119083 VTXZZOORFNXFMY-YDZHTSKRSA-N 390.867 3.804 30 40 GHEB COc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1O 2265815 SFJMDRNKOBAPPY-RGVLZGJSSA-N 384.461 3.991 30 40 GHEB C=CCn1c(N)c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc21 2330194 PGXFUGWEWQSZFS-UHFFFAOYSA-N 375.476 3.973 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 408799686 HLIKVSXFXAPDAA-GZTJUZNOSA-N 396.830 3.880 30 40 GHEB Cc1ccc(COc2ccc(C=Nn3c(O)nc4ccccc4c3=O)cc2)cc1 409347442 PSUKVPQLVJYWBG-UHFFFAOYSA-N 385.423 3.872 30 40 GHEB O=S(=O)(N/N=C\c1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 408961965 WCOLARWITJPXGE-JWGURIENSA-N 379.485 3.752 30 40 GHEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(N(C)C)c(Br)c2)[C@H]2C=C[C@H]1C2 257173482 OQHUDYLMEXVWOW-YWKPPDPDSA-N 389.293 3.878 30 40 GHEB COC(=O)C(C#N)(CCc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1 1666547 PYKUSMBMGBQXDP-UHFFFAOYSA-N 397.387 3.751 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(C)c1 2636991 OHHLIPRPUXNJOM-UHFFFAOYSA-N 378.501 3.848 30 40 GHEB O=S(=O)(O[C@@H]1C[C@@H]2[C@H]3[C@H]4[C@H]1[C@H]2[C@H]1[C@H]4CC[C@@H]31)c1ccc(Br)cc1 104288990 BGHXOCMILMODDG-RFMFWDACSA-N 395.318 3.691 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)cc1OC 59427950 ILZKLNZEPAWXEA-BOPFTXTBSA-N 385.460 3.589 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)o1 102805356 NMPAFJMZCHHOQU-LFVOPCPISA-N 392.386 3.744 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 102879215 GRPHRKOPLNNGHB-WOOAAIBNSA-N 383.419 3.592 30 40 GHEB N#Cc1ccc(CN2CCCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 25933995 PAGMOGXLSSFDBR-UHFFFAOYSA-N 396.922 3.748 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)c1 408732417 REPMFQSKRNSYQU-HYARGMPZSA-N 385.383 3.574 30 40 GHEB C=CCOc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409304015 IXALISTXAODCGI-UHFFFAOYSA-N 398.260 3.914 30 40 GHEB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C#N)cc3)s2)cc1 6320107 QEMOXTBCDFZZLF-UHFFFAOYSA-N 397.485 3.893 30 40 GHEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SCC)nc(=O)c32)cc1 5997523 CBXJXILURHSSSV-INIZCTEOSA-N 397.500 3.845 30 40 GHEB C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2 9944522 LZBZJBXSJDXUNB-NEPJUHHUSA-N 376.551 3.673 30 40 GHEB N#Cc1c(NC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)sc2c1CCC2 89800120 UZTHGUPUQMBCOU-LLVKDONJSA-N 377.878 3.955 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 408904404 IZQZKCQOUPWYGB-YBEGLDIGSA-N 385.401 3.591 30 40 GHEB CCOC(=O)C1=C(C)Nc2c(C#N)cnn2[C@@H]1c1c(Cl)cccc1Cl 71405463 CDOGJFHCZZLFDL-HNNXBMFYSA-N 377.231 3.914 30 40 GHEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(I)cc1)OCO2 1228308 WFPBYBWUGKPGHA-FRKPEAEDSA-N 396.140 3.679 30 40 GHEB N#CCOc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 32480522 WJUQRSFSWMANJB-UHFFFAOYSA-N 379.185 3.508 30 40 GHEB Cc1c(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)oc2c(Cl)cccc12 11125589 IWUODVVWMZTZKB-BLVKFPJESA-N 376.840 3.994 30 40 GHEB C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 12786691 PUHWCWVMMWCMPS-KRWDZBQOSA-N 377.271 3.637 30 40 GHEB C=CCn1c(C)cc(C(=O)COc2ncnc3c2cnn3-c2ccccc2)c1C 3431359 DRBSDADWFNTNJX-UHFFFAOYSA-N 387.443 3.682 30 40 GHEB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N/N=C1/C[C@@H]2CC=C[C@@H]12 38387137 KLANTZAZLUKKIA-XYTZGQQVSA-N 398.444 3.760 30 40 GHEB C=CCCC(=O)OC[C@H]1CN(Cc2ccccc2)C[C@@H]1COC(=O)CCC=C 95450737 ACUMJCXWQGTCHO-NHCUHLMSSA-N 385.504 3.753 30 40 GHEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 98050611 RUMATRQPSODKKH-LJQANCHMSA-N 390.480 3.845 30 40 GHEB C[C@@H](SCc1ccccc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 89420150 HNVUPDGPQQITQL-LJQANCHMSA-N 393.556 3.914 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)S2)cc1 408967958 YGKLVGMQBIJWNI-OQLLNIDSSA-N 390.848 3.954 30 40 GHEB Cc1ccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)o1 409146032 RQZYCOZBFXHWQK-OFBDRLLGSA-N 382.419 3.814 30 40 GHEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N 225778050 QNHJPWYYUFDPHG-UHFFFAOYSA-N 398.846 3.824 30 40 GHEB C/C(=N\OCC(=O)N(C)Cc1ccccc1)c1ccc(Br)s1 585079458 KJWOUOVHLHXHLA-LDADJPATSA-N 381.295 3.910 30 40 GHEB COC(=O)c1cc(Cl)ccc1NC(/C=C/N(C)C)=C/C(=O)C(F)(F)F 6176737 KIGZOQJXKTVEJB-RXUIJTJXSA-N 376.762 3.629 30 40 GHEB CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 4566118 NCCZHVZRRIMXQV-ZJDLJICXSA-N 397.858 3.603 30 40 GHEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 4837565 LBRBZPLTNHPZMG-ULQDDVLXSA-N 379.508 3.636 30 40 GHEB N#CCc1ccc(OC[C@H](O)CSc2nnc3sc4ccccc4n23)cc1 24094458 MGTJULGQASELNA-AWEZNQCLSA-N 396.497 3.542 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 2345422 CJQUPRHTJFIGLB-AWEZNQCLSA-N 381.350 3.560 30 40 GHEB COc1ccc2c(/C=C3/S/C(=N\c4nnc(C)s4)N(C)C3=O)c[nH]c2c1 13724438 TXVVNDRUTVOZGD-PAGIZCKBSA-N 385.474 3.570 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OCc1ccc(Cl)cc1 4592876 MRGDVYRKIZLNLX-LICLKQGHSA-N 398.846 3.836 30 40 GHEB CCCCN/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 4502110 USBCGMLVVCHKQL-XDHOZWIPSA-N 379.507 3.800 30 40 GHEB COc1ccc(O)c(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)c1 6510676 QSDLLPSFWPWFBV-DNTJNYDQSA-N 383.454 3.783 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 5847687 HWNLPFWHQYQDDJ-HNNXBMFYSA-N 383.448 3.752 30 40 GHEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc([N+](=O)[O-])ccc1O 409299582 UHKSRDWFQSOSJA-UHFFFAOYSA-N 392.415 3.940 30 40 GHEB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccc(C#N)cc4)cc3c2C1 32945377 FDNQJXFSOMHVLZ-AWEZNQCLSA-N 387.439 3.960 30 40 GHEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 219784131 SRJLSEJVIYQYRO-LJQANCHMSA-N 394.471 3.803 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)nc1 34881446 VXEJVYCGRIHSML-YVNNLAQVSA-N 392.371 3.744 30 40 GHEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 20150176 SXRJDYCKWIFVSP-SFHVURJKSA-N 396.468 3.634 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc(C)cc2c1=O 784841 CRGIVQWJGXLXSM-UHFFFAOYSA-N 389.477 3.822 30 40 GHEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102497138 RASBXZXAOUISDR-ISYIFQNYSA-N 397.858 3.941 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccc(Cl)c2)no1 102724216 KPGQXMOPNZXFKF-IBOXJLQUSA-N 384.775 3.856 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 102886724 OVZKBEBEFSPUNV-NHFXJNLRSA-N 395.455 3.542 30 40 GHEB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N/N=C1/C[C@@H]2CC=C[C@H]12 33621597 KLANTZAZLUKKIA-WPAXKGDPSA-N 398.444 3.760 30 40 GHEB Cc1c(C(=O)OCc2cccc(C#N)c2)cnn1-c1ccc(C(F)(F)F)cn1 12514124 MJNSKDXTNBUJIR-UHFFFAOYSA-N 386.333 3.823 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 100319813 XJEYIBOJDACAPL-DFAXKBQOSA-N 385.467 3.523 30 40 GHEB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1OC(=O)C(Cl)(Cl)Cl 103625947 GPGTZLGAXZEECL-UHFFFAOYSA-N 393.009 3.918 30 40 GHEB COc1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1 4559797 ARBSZMHHOXMXRK-UHFFFAOYSA-N 395.484 3.848 30 40 GHEB O=S(=O)(N/N=C\c1ccc(Br)s1)c1ccc2ccccc2c1 408994460 GDCPCFWWQRSRAY-YVLHZVERSA-N 395.303 3.976 30 40 GHEB CCOc1cccc(/C=N\Nc2ccc(Br)cc2)c1OCC(=O)O 409203134 VJDGVEXCXDPNBL-GRSHGNNSSA-N 393.237 3.757 30 40 GHEB N#Cc1cn(CCc2nnc(-c3ccccc3)o2)nc1-c1ccc([N+](=O)[O-])cc1 72238855 QESQRVRICYPEER-UHFFFAOYSA-N 386.371 3.623 30 40 GHEB COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccc(Cl)cc1 225861044 SCZJXNHFJYHNLL-UHFFFAOYSA-N 394.862 3.833 30 40 GHEB C#Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)c1 40040654 UTGHACDDUBMTNS-UHFFFAOYSA-N 390.464 3.745 30 40 GHEB N#CCCn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(-c2ccccc2)n1 3188420 HQILKFVMRWJWFC-RGEXLXHISA-N 399.479 3.726 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NC(C)C)cc1 32828627 YRVRFFCPIJYYAX-SFHVURJKSA-N 380.473 3.797 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 102514258 XAIIMXFNWFSLCT-GHNGSUTGSA-N 380.400 3.817 30 40 GHEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl 4092887 SAZXVRQDWZUTLG-MRXNPFEDSA-N 377.227 3.873 30 40 GHEB COc1ccc(-c2n[nH]c(/N=C(\O)Cc3c[nH]c4ccccc34)n2)c(OC)c1 58232130 CLCFQXAOIOJAGS-UHFFFAOYSA-N 377.404 3.801 30 40 GHEB Cc1cc(C(F)(F)F)nc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)c1C#N 18197718 IYKBVPHLMADLLV-ZDUSSCGKSA-N 391.374 3.705 30 40 GHEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1 14190773 UGTQBARIWUPSQV-FMIVXFBMSA-N 399.390 3.732 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1 5447958 LJIIXYBURJBJOW-ZZXKWVIFSA-N 380.347 3.834 30 40 GHEB C/C(=N\OCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1nc2ccccc2n1C(F)F 9338131 IUIDBAQVTBBOKP-LTIGEXSWSA-N 378.423 3.962 30 40 GHEB N#C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9404395 ZZKKRHGRVLEKBK-RCCKNPSSSA-N 394.372 3.966 30 40 GHEB COc1ccc(OCc2nc(SCc3cccc(F)c3)nc(N)c2C#N)cc1 223695139 LLWKGOJZVLCXEU-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1Cl 8221907 ZOVUPPOCRACDBF-CMKJFOMVSA-N 390.779 3.989 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccccc2F)no1 102798882 CCGBKSFMENZCHR-UYTDBDHRSA-N 384.388 3.810 30 40 GHEB O=S(=O)(/N=C(\O)CCc1nnc(-c2ccsc2)o1)c1cccc(Cl)c1 48495604 LJMOIXZMXFSWGU-UHFFFAOYSA-N 397.865 3.730 30 40 GHEB Cc1cc(C(=O)COC(=O)COc2ccc(C#N)cc2)c(C)n1CCC(C)C 8942873 DSHVPSBQHSEBRU-UHFFFAOYSA-N 382.460 3.828 30 40 GHEB C[C@H](NC(=O)c1sc2nc(N)c(C#N)cc2c1N)C12CC3CC(CC(C3)C1)C2 19852188 TVFBVHJTJGGRQJ-SFPBSYBQSA-N 395.532 3.667 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 19898799 LTUNAIAXDXGGHY-LJQANCHMSA-N 398.890 3.788 30 40 GHEB Cc1ccc(C(=O)Oc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2)cc1 408892171 BPLPIBZHYKIUMK-WSDLNYQXSA-N 376.372 3.963 30 40 GHEB C#CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br 409087101 ANTVJJWKTMRVDW-PTNGSMBKSA-N 382.213 3.806 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)c21 72334540 VDYOGRIRAHPUAE-KBPBESRZSA-N 398.532 3.697 30 40 GHEB CCOC(=O)CO/N=C/c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695265 VCEJBSQDXLFJEL-FOKLQQMPSA-N 395.381 3.747 30 40 GHEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(OCC)c(OC)c2)C1=O 15012744 CHWSPVZUUDCGOW-LCYFTJDESA-N 396.262 3.526 30 40 GHEB C[C@H]1CN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)C[C@H](C)O1 12418845 XHPZTQHUJQBPQH-GJZGRUSLSA-N 379.416 3.999 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1C[C@H]1CCCO1 8905009 BYADVRHRLDWRHH-ACJLOTCBSA-N 399.468 3.514 30 40 GHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(Cl)c2c(c1)OCO2 25172118 GUSGEQFPCIVWSQ-UHFFFAOYSA-N 381.737 3.869 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc4c(c3)OCCO4)S2)cc1 408953902 QNIPDZXSOMMKIK-LDADJPATSA-N 382.441 3.748 30 40 GHEB CC(C)c1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCN(C)C)cc1 6782336 VDGDTVXCBXCMDP-WOOAAIBNSA-N 398.528 3.855 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1O 19314508 BLTKZLWJKPJXDC-SFHVURJKSA-N 385.460 3.568 30 40 GHEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cccc(C)c1 32776984 RZMWEALPQWRODC-UHFFFAOYSA-N 399.564 3.532 30 40 GHEB N#Cc1ccc(CCNC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1 596675984 RCPKHNCNILTNGT-SFHVURJKSA-N 391.393 3.542 30 40 GHEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716361 LWTFILGQRJXBIZ-HXUWFJFHSA-N 399.516 3.553 30 40 GHEB C=CCc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(OC)c1O 17112282 XZWUZPJVDYNAPW-YBEGLDIGSA-N 396.374 3.775 30 40 GHEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)c1 20719387 XEIDPQDNCQZQQV-SGTLLEGYSA-N 378.388 3.651 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)COc3ccccc3)c2C#N)C1 6764130 GEKCMAADMZAZSS-GFCCVEGCSA-N 385.514 3.637 30 40 GHEB CCN(CCCNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccccc1 9920184 LSSAXISKXJLVBM-UHFFFAOYSA-N 376.460 3.897 30 40 GHEB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cc(F)c(F)cc1F 59663432 HUAIGIINQNGQIX-UHFFFAOYSA-N 378.196 3.567 30 40 GHEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 13596279 HXHABZZNRCROAT-FAOJVVDFSA-N 382.445 3.757 30 40 GHEB CCc1cc(SCC(=O)Nc2cc(C)on2)n2c(nc3ccccc32)c1C#N 4485526 MHXFOZFGXQUAJV-UHFFFAOYSA-N 391.456 3.949 30 40 GHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020798 ZMBYZNSAWJHBMY-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 1640665741 YFMUZUWRIFDLOY-UHFFFAOYSA-N 396.537 3.986 30 40 GHEB CC(C)(C)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 40134269 JVHWVKKZAWRPGA-FQEVSTJZSA-N 398.528 3.767 30 40 GHEB CC(NCc1ccc(C(=O)N2CCCCC2)cc1)=C1C(=O)CC(C)(C)CC1=O 101392066 BKHMSDMRECABJA-UHFFFAOYSA-N 382.504 3.635 30 40 GHEB COCC/N=c1/scc(C)n1/N=C/c1c[nH]c2ccc(Br)cc12 103461474 SUYFAXSMMRHAAP-VGMKMRNDSA-N 393.310 3.531 30 40 GHEB C[C@]12CC(=O)[C@@]3(Br)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118931873 PFQNFOUXMWTIHZ-SYVORCANSA-N 395.337 3.966 30 40 GHEB COc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N(C)C)cc1OC 27990750 WHPAUUZVSNESHW-OAHLLOKOSA-N 382.420 3.538 30 40 GHEB O=C1/C(=C/c2cccc(O)c2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 13655052 FBKCIUZUFZSTSO-ZHZULCJRSA-N 391.448 3.821 30 40 GHEB COc1ccc(N/C(S)=N\[C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1 13686118 YQQPQADAOSBLTQ-JXFKEZNVSA-N 385.533 3.855 30 40 GHEB C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cccnc1 8471282 VGDPREOTINAKOO-UHFFFAOYSA-N 387.415 3.535 30 40 GHEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(=O)OC)cc1 4626408 NNECHDCPOBFQHY-KXBFYZLASA-N 387.476 3.974 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)cc2F)cc1 6820354 OKSAQYKNQBJYKH-SUMWQHHRSA-N 383.394 3.978 30 40 GHEB COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 95458872 LMWDXOXCGAOZFF-GOSISDBHSA-N 386.492 3.545 30 40 GHEB Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)c2cc(OC(F)F)ccc2n1 524615032 JJRNFKILDCWMEJ-UHFFFAOYSA-N 395.413 3.738 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccccc1 100895759 KKTQAABOIMOUDK-RTEPIGOCSA-N 390.511 3.595 30 40 GHEB COc1ccc(Br)c(/C=N\c2ccc(N3CCOCC3)cc2)c1O 100933757 RTKVJDSACCYQKK-NDENLUEZSA-N 391.265 3.751 30 40 GHEB CC(C)(C)c1csc(-n2cc(C(=O)c3cc(F)ccc3O)cc(C#N)c2=O)n1 12971628 XDNLEGDMKZMFQE-UHFFFAOYSA-N 397.431 3.539 30 40 GHEB N#Cc1ccccc1COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8204514 ATKBGKPUYRNXKG-UHFFFAOYSA-N 382.847 3.807 30 40 GHEB CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)C1CC1 4677153 YRVXRHUPNZTFTN-NSHDSACASA-N 378.288 3.552 30 40 GHEB CCOC(=O)C1=C(C)OC(=S)[C@H](C#N)[C@H]1c1ccc(Br)cc1 5716767 PDXFKHDRRYBRGR-TZMCWYRMSA-N 380.263 3.867 30 40 GHEB C=CCN(C(=O)C1CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 7037477 VHVOZDOQOOIKED-UHFFFAOYSA-N 390.530 3.923 30 40 GHEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC(C)=O)ccc3C1=O)cn2C 8993612 YGHMDBQIGVFLAF-ODCIPOBUSA-N 377.396 3.771 30 40 GHEB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1O 408963432 BPGPJOMAECPDGQ-CXUHLZMHSA-N 399.428 3.899 30 40 GHEB Cc1c(C(=O)NCc2cnn(CC(F)(F)F)c2)sc2ccc(C#N)cc12 556664098 BJYORKMIDMEXQQ-UHFFFAOYSA-N 378.379 3.770 30 40 GHEB N#Cc1ccc(COCC2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 77191712 JOYBMZDKUMWHQX-UHFFFAOYSA-N 381.451 3.836 30 40 GHEB COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])cc1OCCC(C)C 5727080 SJNPMDSBPVQVNM-SRZZPIQSSA-N 398.419 3.949 30 40 GHEB O=C(O)c1ccc(N/C=C\C(=O)c2ccc(I)cc2)cc1 16401107 JKWGILMOJYJRLI-KTKRTIGZSA-N 393.180 3.798 30 40 GHEB COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1cccs1 101487047 JMVABKCSCZDQBP-SFHVURJKSA-N 391.456 3.752 30 40 GHEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1 6303956 AHHZEBZKHGRIDB-UHFFFAOYSA-N 386.521 3.584 30 40 GHEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N2c3ccccc3C[C@@H]2C)c(Cl)c1 3314344 HMJFLXOIEYIRPQ-QCXKMSLLSA-N 399.878 3.876 30 40 GHEB N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 6754755 DEIWZHKHOPLXRE-UHFFFAOYSA-N 398.875 3.891 30 40 GHEB CC(=O)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383102 AXTQJHIBYBSCQU-BUVRLJJBSA-N 383.407 3.871 30 40 GHEB C=CCn1cc(/C=C2\SC(=O)N([C@H](C)C(=O)OCC)C2=O)c2ccccc21 980882 IMGUAYOUPCINDP-GPLLRDDGSA-N 384.457 3.815 30 40 GHEB Fc1ccc(OCc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)c(F)c1 2789798 MGSVYVHCJBDZHT-CGOBSMCZSA-N 386.330 3.837 30 40 GHEB N#Cc1ccc2ncc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(O)c2c1 15829354 IXEQXQYNYFKQFR-UHFFFAOYSA-N 379.224 3.952 30 40 GHEB COc1ccc(NC=C2C(=O)CC(c3ccc(OC)c(OC)c3)CC2=O)cc1 1308300 GOWDQOLGXUWXGP-UHFFFAOYSA-N 381.428 3.724 30 40 GHEB CCOc1cc(C(=O)Nc2cccc(C#N)c2)cc(Br)c1OC 12918316 BQORXOQLLONTNE-UHFFFAOYSA-N 375.222 3.980 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 4511893 KGYVKNFUZXNVIS-XSFVSMFZSA-N 397.412 3.809 30 40 GHEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)cc1 6747714 ACTQDCFJGIFKCN-UHFFFAOYSA-N 381.388 3.571 30 40 GHEB CC(C)CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 5858731 MSOWVDMXMXMTKT-MRXNPFEDSA-N 396.516 3.868 30 40 GHEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OCC(C)(C)C 409355296 CBSJVLUXJKIKOP-UHFFFAOYSA-N 395.459 3.808 30 40 GHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)c(C)n1 5674707 CMUXDONAGCQZSA-NXPZIZNCSA-N 385.537 3.974 30 40 GHEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)O)cc1 13880162 WJHZQGZEWNBGJI-DOXJHMMXSA-N 397.412 3.917 30 40 GHEB CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C(C)C 13995488 DTSDLPSOZNHGDQ-UHFFFAOYSA-N 389.550 3.964 30 40 GHEB COCCCNc1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21 226362923 SPQZRXFVLXMSDL-UHFFFAOYSA-N 378.388 3.558 30 40 GHEB Cc1cs/c(=N\N=C\c2cc(Br)cc(Br)c2O)[nH]1 4042690 FQHWOCATHJGPPA-LNKIKWGQSA-N 391.088 3.550 30 40 GHEB Cc1nc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c(C#N)c(C)c1Cl 1889124929 TWGDPUNVKHKGQT-MRXNPFEDSA-N 381.867 3.786 30 40 GHEB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 4276268 AWWBPVJFHGRYQP-UHFFFAOYSA-N 391.518 3.683 30 40 GHEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 20573483 DFJJKUPQJNVWJC-WQRHYEAKSA-N 385.847 3.802 30 40 GHEB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(OCC#N)cc1 40130674 DHYAPJMKUVHDPF-UHFFFAOYSA-N 378.407 3.712 30 40 GHEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 1378525 SBOSMJHVWSRGAE-LJQANCHMSA-N 398.532 3.665 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1cccs1 4312372 QLDQRHKFNVONEK-PXAZEXFGSA-N 387.432 3.645 30 40 GHEB CN1/C(=C\C(=O)CSc2nnnn2-c2ccccc2)C(C)(C)c2ccccc21 12602180 RTZIDZCIHLZUSS-UYRXBGFRSA-N 391.500 3.635 30 40 GHEB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 58227758 FRFMXIJAZYJCEM-SFHVURJKSA-N 375.472 3.602 30 40 GHEB C=C(Br)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 58369660 FMSBOCAIWKYHJL-LBPRGKRZSA-N 381.295 3.576 30 40 GHEB Cc1nc2c([nH]c3ccc(Br)cc32)c(=O)n1/N=C/c1ccccc1F 2240429 CKUMFVACRACGSA-ZVBGSRNCSA-N 399.223 3.970 30 40 GHEB COc1ccccc1N/C(=N\c1nc(C)cc(C)n1)NC(=O)c1ccccc1 2266606 KGQOIBRZJOPXSJ-UHFFFAOYSA-N 375.432 3.632 30 40 GHEB COc1cc(Cl)c(C)cc1N1CC(=O)C(c2nc3ccc(C)cc3[nH]2)=C1N 5182840 XBWRTWYZEWWGBP-UHFFFAOYSA-N 382.851 3.558 30 40 GHEB C=CCNc1nc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cs1 6904954 ZSIWBSRKLBDTFC-UHFFFAOYSA-N 385.367 3.555 30 40 GHEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(O)cc2)cc1 16741323 ADKLZSLQSLHJRY-FQEVSTJZSA-N 391.423 3.721 30 40 GHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccccc2Br)CC1 96689434 AJXBEKJSSWCJAW-UHFFFAOYSA-N 387.281 3.508 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1cccs1 6813519 IBQLGDRAJAHHDK-PBHICJAKSA-N 387.432 3.645 30 40 GHEB N#Cc1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 8266259 XDMJEFZCLCSVHA-INIZCTEOSA-N 377.425 3.969 30 40 GHEB CCc1ccc(N2C(=O)[C@H](/C=N/c3ccc(C)cc3C)C(=O)NC2=S)cc1 4739282 SWCSLAOXVLHGDZ-ORWNMUSCSA-N 379.485 3.632 30 40 GHEB N#CC1(NC(=O)COC(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CCCC1 7107301 JGJPYXRSPSTOQB-FMIVXFBMSA-N 395.503 3.576 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 9220421 JJDOGLJFZGTVIA-FQEVSTJZSA-N 381.436 3.805 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 36391057 GYUDNZYLPAYVFL-UHFFFAOYSA-N 379.825 3.863 30 40 GHEB N#Cc1ccc(OC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 40140138 OXBCVXMFBJNESC-UHFFFAOYSA-N 377.421 3.751 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccnc1)c1ccc(F)cc1 5409277 TUDRHROYNOSDQR-FQEVSTJZSA-N 388.398 3.999 30 40 GHEB C#CCOc1ccc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)cc1OC 19550171 UWKBSCGOADTJLJ-XZOQPEGZSA-N 390.527 3.599 30 40 GHEB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 32856172 DCAPHLIRVXGPJN-QFIPXVFZSA-N 388.446 3.705 30 40 GHEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1cccc([N+](=O)[O-])c1 4910772 HXHABZZNRCROAT-NXYDKILLSA-N 382.445 3.757 30 40 GHEB CC(=O)c1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OCC#N)cc3)S2)cc1 9323748 KQTIOYIRULZFLX-LDADJPATSA-N 377.425 3.683 30 40 GHEB COC1=C[C@]23C[C@@H](C[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]2C)OC3=CC1=O 104247465 JXWKCIXVIBYKKR-MOOFZKRVSA-N 386.444 3.608 30 40 GHEB C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3ccc(C(=O)O)cc3[nH]2)cc1 12792479 ZYUJTRGFEWLITN-YBEGLDIGSA-N 382.803 3.923 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 9691921 XGCLIBNMKUKUTQ-RCDICMHDSA-N 381.476 3.504 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)no1 5800520 HJWNBNZHQUEZCH-SFHVURJKSA-N 378.359 3.905 30 40 GHEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)s1 5931779 UAFMOCINILLFBA-INIZCTEOSA-N 395.440 3.526 30 40 GHEB O=C(C[C@@H]1CC2=C(C[C@@H](c3ccc(F)cc3)CC2=O)NC1=O)Nc1ccccc1 1548338295 COOODIBFBIBIOI-CVEARBPZSA-N 392.430 3.691 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl 409089517 MSYFBCISMUKVGB-YDRQLGOLSA-N 393.917 3.732 30 40 GHEB COc1nc(N2CCOCC2)c(Cl)c(Oc2ccc(C#N)cc2)c1Cl 13690732 QGMPLAWRYWRSRW-UHFFFAOYSA-N 380.231 3.898 30 40 GHEB N#Cc1ccc(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c(F)c1 2087137392 OIRZTXNEGTUHTC-YJBOKZPZSA-N 390.384 3.822 30 40 GHEB N#CCSC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N12 2964279 REWBZCLTOLFCFP-GOSISDBHSA-N 385.452 3.626 30 40 GHEB CN(C)CCCN(C(=O)c1ccc(C#N)cc1)c1nc2c(F)cccc2s1 5122410 MHGNZRZKNHMOHE-UHFFFAOYSA-N 382.464 3.906 30 40 GHEB N#CCc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 22020531 HFYXXDANGDASOQ-UHFFFAOYSA-N 380.425 3.572 30 40 GHEB C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N/N=C/c1ccco1 5214316 PEMNQLQHGZKTGZ-KQHGIQCESA-N 383.473 3.741 30 40 GHEB CS(=O)(=O)Oc1ccc([C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 5527631 WHDFOXDIHMWJOD-GFCCVEGCSA-N 390.770 3.748 30 40 GHEB C=CCNC(=O)NC(=O)CNc1cc(C(F)(F)F)ccc1NC1CCCCC1 9218562 XTWHCFZAINZZGT-UHFFFAOYSA-N 398.429 3.874 30 40 GHEB Cc1cc(CSc2ncccc2C(=O)OCCOc2ccc(C#N)cc2)no1 49574129 JLKKXSRREKCJJX-UHFFFAOYSA-N 395.440 3.778 30 40 GHEB CCOc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 19959955 VXTIUQFFTGFXRW-QVKFZJNVSA-N 390.443 3.994 30 40 GHEB C#CCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033596 WEDIWGQHUVUBEV-AWEZNQCLSA-N 379.847 3.852 30 40 GHEB CN1/C(=C\C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C(C)(C)c2ccccc21 6456112 SDLGMRWMKHENIJ-ZECKMBTRSA-N 395.499 3.806 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@H]1c1ccco1 5345346 NALIHZWDTFCFOO-HNNXBMFYSA-N 378.413 3.833 30 40 GHEB C=C(C)CN(CC)c1nc(N)c(C#N)c([C@H](C#N)Cc2ccc(C)cc2)c1C#N 25540479 QWQWVBKQXFJIQF-SFHVURJKSA-N 384.487 3.968 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c1C 408591448 TVNABFFHSFGBMM-OFMHDUHASA-N 387.483 3.934 30 40 GHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)c(OC)c2)cc1 5900409 GYBZWKSGJSANKN-UDWIEESQSA-N 384.461 3.906 30 40 GHEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccc(C(C)(C)C)cc2)s1 8914223 DPCSOQSACCMXQF-UHFFFAOYSA-N 397.522 3.686 30 40 GHEB C#CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 72284850 FLRKONFLBFSADV-KBXCAEBGSA-N 385.508 3.923 30 40 GHEB COc1cc(OC)c(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 36478559 KFRTVPURLOTNNM-MFOYZWKCSA-N 380.198 3.821 30 40 GHEB CSc1nncn1/N=C/c1ccc(COc2ccc(Br)cc2)o1 36611364 DYCLPGJIBARUSJ-QGMBQPNBSA-N 393.266 3.817 30 40 GHEB CC(C)(C)c1ccc(OCC2CCN(c3ncc(C#N)cc3Cl)CC2)nn1 1775969182 ANJRQYZGMZAXMO-UHFFFAOYSA-N 385.899 3.990 30 40 GHEB COc1cc(C#N)ccc1OCc1nnc(-c2ccc(Br)o2)o1 13984721 CRCCVWOBZUNXRY-UHFFFAOYSA-N 376.166 3.551 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(F)c2)cc1 9013231 VAGMODVMQRSINV-VFNWGFHPSA-N 390.418 3.842 30 40 GHEB Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(C#N)c(C)c1C 7059986 HRHAAIORJKKWHM-UHFFFAOYSA-N 394.500 3.735 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1 13003359 VASJWERYFQUINM-IBGZPJMESA-N 390.395 3.780 30 40 GHEB Cc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)cc1C 13119395 YNWKUOXGLPEBDX-UHFFFAOYSA-N 385.470 3.515 30 40 GHEB N#CCCN(CC(F)(F)F)C(=O)CCCOc1cccc(Br)c1 72306443 NSEVWLBLKRUVHK-UHFFFAOYSA-N 393.203 3.913 30 40 GHEB COc1ccc(NC(=O)CC(C)(C)CC(=O)Nc2ccc(C#N)cc2)c(OC)c1 199422726 CTARSHIIDVHZDN-UHFFFAOYSA-N 395.459 3.959 30 40 GHEB C=CCN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 224476111 VHMRCDJDIWQHCG-UHFFFAOYSA-N 398.528 3.608 30 40 GHEB C=CCOc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)cc1 253378016 YYSMFMOPIHBDDI-AVRDEDQJSA-N 376.504 3.903 30 40 GHEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@@H]2C1 2087048841 LYNWTQFPHVGEQV-KBPBESRZSA-N 381.892 3.789 30 40 GHEB COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c1O 952799 UEYMRDXVVAJBEU-AWQFTUOYSA-N 384.417 3.690 30 40 GHEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1 4550664 JVJLBTKUTBGDMU-WSDLNYQXSA-N 375.469 3.621 30 40 GHEB CCc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\OC(C)=O)cc1 67350855 RVLNXOKELMLMDE-LNVKXUELSA-N 380.400 3.635 30 40 GHEB C=CCOc1cccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)c1 7502962 RQWFDCZOCJEHHY-YBEGLDIGSA-N 382.803 3.923 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2C1=O 7609292 ROJOMRXGRLJBFH-UHFFFAOYSA-N 389.436 3.844 30 40 GHEB N#Cc1ccc(N2CCC3(CC2)C[C@H]3c2nnc(-c3cccc(F)c3)o2)nc1 71890499 HSOUOEYIQQLPAX-KRWDZBQOSA-N 375.407 3.916 30 40 GHEB CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 36619674 BVHDDKQTGDJQSS-SFHVURJKSA-N 396.399 3.592 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C#N)[C@@H]2c2ccc(Br)cc2)cc1 218225837 IQUCXSAAPCXLAT-YESZJQIVSA-N 376.275 3.837 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1ccccc1 12438232 IHYZYWUABLDPBD-SOBIRXOSSA-N 390.461 3.507 30 40 GHEB CC(=O)Nc1ccc(NCC(=O)NC2(C#N)CCCCCC2)c(C(F)(F)F)c1 32770322 MJHKAZCDJBUCNB-UHFFFAOYSA-N 396.413 3.808 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 25070518 WSYLZLQZHJFOSU-SFHVURJKSA-N 382.430 3.772 30 40 GHEB Cc1c(/N=C/c2cc(Cl)cc3c2OCOC3)c(=O)n(-c2ccccc2)n1C 102535808 CYZGZTBLGCWQRS-LSHDLFTRSA-N 383.835 3.755 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 22608241 SIBRPEWKTLAKLL-MGPLVRAMSA-N 392.381 3.964 30 40 GHEB O=S(=O)(O[C@H]1C[C@H]2O[C@@H]1c1ccccc12)c1ccc(Br)cc1 45070460 XAYUTBUIXNEVPQ-OWCLPIDISA-N 381.247 3.739 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)cc1 225822931 OCOKXONIOTUDIE-UHFFFAOYSA-N 396.472 3.797 30 40 GHEB N#CCOc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384147 DAGHJRQKYQFNPG-PCLIKHOPSA-N 380.407 3.848 30 40 GHEB CCOc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)c(OCC)c1 1003376 UTOYECCBVBIHNI-PXLXIMEGSA-N 398.484 3.950 30 40 GHEB C=CCNC(=O)C1(Cc2ccccc2-c2cccc(C(=O)O)c2)CCOCC1 12219380 XXGBOOPGFSVDFX-UHFFFAOYSA-N 379.456 3.693 30 40 GHEB C#CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 4535186 MCRRRLYMHQOXEE-UHFFFAOYSA-N 391.467 3.750 30 40 GHEB Cc1cc(C)n2nc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)nc2n1 32910392 QXQBCHRVEOBFPM-WQRHYEAKSA-N 393.516 3.714 30 40 GHEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc2ccccc2s1 57289911 UCGMIXHSSUYAKC-UHFFFAOYSA-N 382.514 3.789 30 40 GHEB C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cccc(C#N)c1 5937814 ZBDGHFAKYCQWEK-AWEZNQCLSA-N 375.384 3.810 30 40 GHEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Br 408818117 ZIWZEOOAGQHGSR-XFFZJAGNSA-N 386.654 3.781 30 40 GHEB N#Cc1cccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c1 96012666 HIFJHVIFRVTKDB-OAHLLOKOSA-N 386.337 3.606 30 40 GHEB Cc1nn(-c2ccccc2)c(C)c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 35771488 UPCWFVRVIQMYCQ-ODLFYWEKSA-N 380.364 3.752 30 40 GHEB BrC#Cc1cc(C#CBr)cc(C#CBr)c1 169501696 ZXTCMOSJRYMPCU-UHFFFAOYSA-N 386.868 3.798 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl 5895792 CXUOYTVEQLAWIR-LICLKQGHSA-N 387.686 3.805 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 6238837 WNMMSQWCAAURMZ-GOSISDBHSA-N 385.847 3.955 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F 102861186 AVMAQCYDQDRNSK-HVESIFNPSA-N 389.810 3.547 30 40 GHEB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCCN(c2ccccc2C#N)CC1 52801416 FDDSUDWOSMMJEV-SFHVURJKSA-N 399.498 3.646 30 40 GHEB C/C(=N\O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1sc(C)nc1C 42115854 KNVLOBQHYGNGMR-AEOXGOBCSA-N 389.477 3.689 30 40 GHEB N#Cc1nc(C2CC2)oc1N1CCN(CCSc2ccc(Cl)cc2)CC1 58157029 ZLOCJQLSIRULDL-UHFFFAOYSA-N 388.924 3.991 30 40 GHEB C=CCSc1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 3430730 BKAZOWWTDYYPFO-UHFFFAOYSA-N 375.397 3.853 30 40 GHEB C/N=C1/S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C(=O)N1C 408929168 HYIMIDKBFBHYFC-AAALYJMCSA-N 375.675 3.643 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 4286011 QNPADYTWWVSEAV-UHFFFAOYSA-N 375.457 3.734 30 40 GHEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OC(C)C 5147187 LSGUUHFEMBPQSG-LJQANCHMSA-N 382.464 3.732 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 5409117 RHJNWNYWTJAAOJ-NHFXJNLRSA-N 396.462 3.508 30 40 GHEB C#CCN(C[C@H]1CCCO1)C(=O)Nc1nnc([C@H](CC)c2ccccc2)s1 72270437 RYBYZVOLGOGJAT-IAGOWNOFSA-N 384.505 3.726 30 40 GHEB C[C@@H](OCCO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)[C@H](C)[C@@]21C 118922817 QYNFANMFCUHLFE-SILCXZIVSA-N 390.564 3.749 30 40 GHEB C#CCOc1cc(Br)c(/C=N/OCc2ccccc2C#N)cc1OC 408592123 LCXIPRRFCWDTBM-WSDLNYQXSA-N 399.244 3.892 30 40 GHEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 409172751 IBTHRSOVGYHUIH-VCHYOVAHSA-N 378.409 3.566 30 40 GHEB O=C(O)COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br 409044946 DQZJWSCLCJOSMG-CAOOACKPSA-N 379.166 3.571 30 40 GHEB C=CCc1ccccc1OC[C@H](S)CN1CCN(c2ccccc2OC)CC1 95532730 NKXANEQIIPDPNV-HXUWFJFHSA-N 398.572 3.923 30 40 GHEB CC(C)(C)NC(=O)c1csc(Nc2cccc([C@@H]3CCCN(CC#N)C3)n2)n1 585294839 VJWJZBMGQVIYCX-CQSZACIVSA-N 398.536 3.513 30 40 GHEB COc1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1O 16215709 RTKVJDSACCYQKK-UDWIEESQSA-N 391.265 3.751 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](CC)C(=O)N2c2ccccc2)cc1 4538107 VIEATHUZUHWCKL-NRTINQSCSA-N 388.514 3.852 30 40 GHEB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1C#N 6913580 CRTXKRJHYMTPAE-LBPRGKRZSA-N 381.436 3.612 30 40 GHEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 8559663 MHADLGQQSSFPPR-GFCCVEGCSA-N 381.350 3.850 30 40 GHEB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 36397061 LBYNGHNWZSXIOA-HVOBPNNYSA-N 393.516 3.725 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccccc1 13843042 SMMAXODMHYXODS-DCBMACRLSA-N 384.482 3.534 30 40 GHEB O=C(O)c1cc(N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Cl 6547974 AMKSKSWNAPABNG-RGVLZGJSSA-N 388.811 3.993 30 40 GHEB N#CCCN(C(=O)COC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1 4895260 SYNUFUOUYASMNF-BUHFOSPRSA-N 385.423 3.738 30 40 GHEB C=CCN1C(=O)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O 5879683 SLAVAULPWKFQJY-QPEQYQDCSA-N 384.251 3.689 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408811715 ROUHCGDXRJLQIZ-LFIBNONCSA-N 396.830 3.880 30 40 GHEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1[N+](=O)[O-] 8777278 QOMJWVXNMXVOAO-UHFFFAOYSA-N 379.203 3.848 30 40 GHEB C[C@H](NC(=O)Nc1cc(C#N)c(Br)cn1)c1ccc(F)c(F)c1 97164571 OYQOETYGRMOTCL-QMMMGPOBSA-N 381.180 3.877 30 40 GHEB CN(C)c1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408955957 ZEUVPUJVZMMEIC-DEDYPNTBSA-N 394.391 3.806 30 40 GHEB Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408536183 QDPPSHVUFAFYKL-OAHLLOKOSA-N 389.333 3.615 30 40 GHEB CC1(C)OB(/C=C(\B2OC(C)(C)C(C)(C)O2)C2(O)CCCCC2)OC1(C)C 169807866 AEMMRANIQHBQBW-PFONDFGASA-N 378.127 3.871 30 40 GHEB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)c(C)c1 5813197 XSYLXDQGGDWYOR-INIZCTEOSA-N 393.443 3.648 30 40 GHEB COc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(N)c2C#N)cc1OC 19022658 NCPSQKYKQLRSFO-UHFFFAOYSA-N 388.427 3.845 30 40 GHEB Cc1oc(-c2nc(C#N)c(NC3CC3)o2)cc1S(=O)(=O)N(C)c1ccccc1 40267767 SKIKAGMJQVJMOB-UHFFFAOYSA-N 398.444 3.514 30 40 GHEB CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Oc1ccc(Br)cc1 101080075 REWWJOFPSRDAMT-OBGWFSINSA-N 378.182 3.751 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccco1 795016 YVDUGMMVJRLCSP-PXAZEXFGSA-N 387.819 3.690 30 40 GHEB C/C(=N\OCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc2ccccc2n1C(F)F 22200691 JLPYTQIWROQDPN-MARIZPMPSA-N 378.423 3.867 30 40 GHEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 664519 DLUHZWLDHMWEPH-XDHOZWIPSA-N 375.403 3.907 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccncc2)c1 16736691 BWKPUNPFUUCVKR-QGZVFWFLSA-N 391.452 3.938 30 40 GHEB C#CCOc1ccc(CCNC(=O)C2(c3ccc(Br)cc3)CC2)cc1 58102087 DWODWJSAVLCTDT-UHFFFAOYSA-N 398.300 3.852 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)S2)cc1 408959950 BAFGGGWTOKUQSA-MHWRWJLKSA-N 385.401 3.504 30 40 GHEB COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 169938239 KFVHQJIBBFUDEQ-HXUWFJFHSA-N 382.485 3.656 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC)C(=O)O)C2=O)cc1 2437008 CPFLMPVQFKYZFT-XFNCEPBJSA-N 377.487 3.706 30 40 GHEB CN(CCC#N)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 29814680 ORXLLHNYHVKCCR-UHFFFAOYSA-N 386.477 3.962 30 40 GHEB CC1CCN(C(=O)[C@H]2CCCN(c3oc(-c4cccs4)nc3C#N)C2)CC1 41157774 CKEIXDYJAOQSAB-HNNXBMFYSA-N 384.505 3.750 30 40 GHEB Cc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 6661953 ZTQFEBUPISPDCZ-DJJJIMSYSA-N 391.387 3.503 30 40 GHEB C=CCN(C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2c(s1)CCCC2 12822541 AOJLDIBNTDWGJO-UHFFFAOYSA-N 395.528 3.910 30 40 GHEB COc1cccc(C/N=C(\O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1 6624376 HVRIXSUEIHGMDA-UHFFFAOYSA-N 385.416 3.680 30 40 GHEB biogenic C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(OC)c1 9328199 PFFMLGJONLWDBE-UHFFFAOYSA-N 390.468 3.986 30 40 GHEB CCOc1ccc(CN(C)CC(=O)Nc2ccccc2SCC#N)cc1OC 9550191 GCAKKWQSEXJZTD-UHFFFAOYSA-N 399.516 3.780 30 40 GHEB C=CCOc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409401588 BKRZFTKNRZVLME-GVAFMPQTSA-N 391.254 3.699 30 40 GHEB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1 222999697 WJTHQFCFPJBWMT-UHFFFAOYSA-N 385.445 3.611 30 40 GHEB C[C@H]1Cc2sc(NC(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@H](C)C1 571170384 VZUAAJJOTZUKQJ-VXGBXAGGSA-N 381.461 3.791 30 40 GHEB N/C(=N\CCC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cn1 225235081 OBDYMRMUSMYFSW-UHFFFAOYSA-N 375.432 3.939 30 40 GHEB O=C(O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F 113999443 JNYDOQOWNTURLR-GBXIJSLDSA-N 396.055 3.673 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(F)cc1 13423919 OTWMTGNQBHHLJV-BAOKRACBSA-N 375.400 3.555 30 40 GHEB C1=CO[C@H](/C=N\Nc2nnc(N/N=C/[C@@H]3CCC=CO3)c3ccccc23)CC1 17418688 NVQOTXWCYFQIKD-CKDGUWKISA-N 378.436 3.811 30 40 GHEB CC(C)(C)/N=C1\[C@@H](N2CCOCC2)C2(CCCCC2)C(=O)N1c1ccccc1 101377369 QYEIKSLXJLIKLP-ICBALBMBSA-N 383.536 3.882 30 40 GHEB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCCC#N)c2C1 8008206 BAQHPPPTOOUIFF-HNNXBMFYSA-N 393.487 3.572 30 40 GHEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C3/C(=O)Nc4ccccc43)S1)C2 10272209 OAVDCIKHNKFDAA-GSTZRXIZSA-N 394.500 3.771 30 40 GHEB N#Cc1cccc(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)c1 3323028 PRNGRADOFCRTTQ-UHFFFAOYSA-N 385.423 3.506 30 40 GHEB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)CS/C1=C\C(=O)c1ccco1 13061821 UXCQHABRLJDNKC-JAIQZWGSSA-N 398.484 3.815 30 40 GHEB COc1cc(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1OC 408910649 LDRCPBMVPFYPRM-MFOYZWKCSA-N 380.198 3.821 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2C)c(OC)c1 13596640 GOEHRYBRCFHAFZ-SGZMSURCSA-N 397.500 3.866 30 40 GHEB N#Cc1cccc(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 4328688 GRXUUUKFZZAKAY-UHFFFAOYSA-N 395.418 3.673 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 4478093 IIABLAMILDIEAR-BOPFTXTBSA-N 395.436 3.959 30 40 GHEB C=CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 4681075 NAIPOCMLTCVQEY-FQEVSTJZSA-N 387.443 3.771 30 40 GHEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC 7350193 SMJXQQGBKOVDBI-CMDGGOBGSA-N 396.399 3.635 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 20171476 OHHLABFHBHNFQG-IBGZPJMESA-N 382.460 3.590 30 40 GHEB COc1ccc(CCN(/C=C2/Sc3ccccc3C2=O)C(C)=O)cc1OC 835682 BROREELEBJHSBL-DEDYPNTBSA-N 383.469 3.925 30 40 GHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)s1 6024753 HIOIAWSGTHCAOW-AZWDPMEJSA-N 393.877 3.900 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2F)cc1 5446096 XLGBDACGNAXWRX-UZLBHIALSA-N 395.430 3.891 30 40 GHEB COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 1432867 BBDCZIKQLJPARJ-AZUAARDMSA-N 390.483 3.889 30 40 GHEB COC(=O)C1=C(C)N(c2ccc(Br)cc2)/C(=C\c2ccco2)C1=O 694260 VKVFWLIGSRKUMS-GDNBJRDFSA-N 388.217 3.919 30 40 GHEB CC1=C(Br)C(=O)C(Br)=C/C1=N/C(=O)c1ccccc1 101028410 ONAHUQKFGMAXGJ-BOPFTXTBSA-N 383.039 3.798 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)o1 102712805 LAOAMPLKOCMOGY-UYTDBDHRSA-N 395.802 3.658 30 40 GHEB N#CCCN(C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1)c1ccccc1F 58015422 ZGTOJAQXPZRREJ-LJQANCHMSA-N 383.442 3.919 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1OC 12887311 NYJSUCRLCOMXSB-ZOXUKVPXSA-N 392.499 3.789 30 40 GHEB C=CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1ccccc1 4285372 ZCSHZNCYUXXCBL-UHFFFAOYSA-N 396.491 3.721 30 40 GHEB CCOc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1 4667476 QHTVWVPIFXIBKA-WEVVVXLNSA-N 375.218 3.810 30 40 GHEB C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F 4735885 GVGPTJARLCOZSQ-UHFFFAOYSA-N 389.481 3.766 30 40 GHEB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 96055625 VMNBOFPRQIBXGW-TZVNWBPESA-N 397.422 3.534 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2cccc(F)c2)cc1 409405224 NONSLJMGIRUJGQ-IDPBPBMLSA-N 390.414 3.546 30 40 GHEB COC(=O)c1cccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1 409096741 KLHPMDYGMWQGRK-IUXPMGMMSA-N 379.166 3.600 30 40 GHEB C#CCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Br)C1=O 409049790 YSRFFJYLJPKONY-RIYZIHGNSA-N 396.262 3.526 30 40 GHEB COc1ccccc1OCc1nc(SCc2ccccc2)nc(N)c1C#N 223690921 RTTNZUUCLMZMCV-UHFFFAOYSA-N 378.457 3.810 30 40 GHEB CC[C@@H](CNS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1C#N)c1ccccc1 98086570 QGKKZAWQAPLCRA-INIZCTEOSA-N 395.484 3.994 30 40 GHEB COc1ccc([C@H]2O[C@@]34CCCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 5064333 JERHUPHLSFJQFB-XWDORNJCSA-N 376.416 3.594 30 40 GHEB N#Cc1cnc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)c(Cl)c1 1888876238 SYFISVTUJZQRDS-CHWSQXEVSA-N 393.800 3.593 30 40 GHEB N#Cc1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269505 WTYXPFRRNOTXGH-UHFFFAOYSA-N 381.794 3.813 30 40 GHEB N#Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 11617156 RTNWTVNQYUVRIR-UHFFFAOYSA-N 395.356 3.750 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 19203677 WVIDZHCBPBZVDK-GOSISDBHSA-N 384.432 3.762 30 40 GHEB C=CCNC(=O)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 6609388 RPOXPSKTJRCICV-UHFFFAOYSA-N 391.522 3.509 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 3135582 LUGMHHFDAFMFQG-KRWDZBQOSA-N 385.460 3.576 30 40 GHEB CCCn1c(O)nnc1S[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 11388169 CFFSYUQRXICWAP-LVLBFHFTSA-N 386.521 3.755 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)c1c(O)n[nH]c1N2 18199334 WTRIMLAEMHNWLA-GFCCVEGCSA-N 378.201 3.581 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)o1 18203628 LVBNLLFDZGVVEZ-INIZCTEOSA-N 395.802 3.814 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749922 GGLVVKLFZKFVGX-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 225652928 YGDGUZWWEQVHNY-UHFFFAOYSA-N 395.528 3.860 30 40 GHEB Oc1c(/C=N/C[C@H]2CCCO2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 1192481 ZJRJXMQHGGLBOM-PRMNVEQPSA-N 396.394 3.804 30 40 GHEB COc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)c(OC)c1 20058554 SKDVENKGYHSMKV-LNVKXUELSA-N 379.460 3.615 30 40 GHEB O=C(/C=C/c1cc2c(cc1Br)OCO2)c1ccc([N+](=O)[O-])cc1 7718110 DJDUEEQJNFYVNS-ZZXKWVIFSA-N 376.162 3.982 30 40 GHEB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 42643472 IIQPYMXDJDNGTB-SFHVURJKSA-N 394.494 3.541 30 40 GHEB CCN1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 12614241 POFUBAQQTGOKQH-MJZABRMRSA-N 393.399 3.875 30 40 GHEB COc1cccc(C(=O)N/C(=N/c2nc(C)cc(C)n2)Nc2ccccc2)c1 2230277 GRXYNPIMDLTNKV-UHFFFAOYSA-N 375.432 3.632 30 40 GHEB Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1C 69610426 YZSDVCPWGBEAMN-AWEZNQCLSA-N 379.485 3.717 30 40 GHEB C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccccc1C(F)(F)F 18435196 AJUFEINEVNQZEI-SECBINFHSA-N 391.378 3.545 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1)S(C)(=O)=O 223181019 WIWBFZIRBZZEHG-INIZCTEOSA-N 398.528 3.618 30 40 GHEB N#CCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 5936498 GAVIODKMOUPEHJ-UHFFFAOYSA-N 393.321 3.939 30 40 GHEB COc1ccc(-c2nnc(S/C(=N/Nc3ccccc3)C(C)=O)n2C)cc1 13809788 FDBPLEJTWKVLAD-RELWKKBWSA-N 381.461 3.597 30 40 GHEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c(C)c1 8209430 QRJFVUMASPPICF-UHFFFAOYSA-N 399.516 3.807 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 5409105 RHJNWNYWTJAAOJ-YDJIHCHBSA-N 396.462 3.508 30 40 GHEB COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 1432870 BBDCZIKQLJPARJ-QUCCMNQESA-N 390.483 3.889 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccco1 104210005 UPUHKSHGXKIWEH-SELCWUDQSA-N 394.814 3.950 30 40 GHEB CC(C)CN(CC(C)C)C(=O)CO/N=C/c1ccc(Oc2ncccn2)cc1 40119640 PHHVJGQDTOMEOK-WYMPLXKRSA-N 384.480 3.760 30 40 GHEB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N\O)CC(C)(C)C2 100931472 DSMVRSAPHCWFSZ-QJOMJCCJSA-N 381.476 3.701 30 40 GHEB C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCC)c(OC)c1 21335517 BBSZVWLOQDJCGW-UHFFFAOYSA-N 382.460 3.581 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 6226862 JLDURXKDJFACHG-UHFFFAOYSA-N 384.848 3.916 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n1 23105090 OGUISJHBJWCCMF-LBPRGKRZSA-N 395.469 3.951 30 40 GHEB N#Cc1ccc(CN2CCCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 23752697 BYZWBBZVRXKYFC-UHFFFAOYSA-N 376.485 3.516 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2ccccc2c1=O 3421299 GRXSPBFKMWNWMP-UHFFFAOYSA-N 396.468 3.575 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4[C@@H](C)C=C(C)C[C@H]4C)c(O)nc3c2c1 8743466 VJKINILCVSZAGY-ZWJZFAQRSA-N 380.448 3.664 30 40 GHEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c(C)c1 4649272 SIFLBFVAVYEOBY-YBLIXAOFSA-N 382.441 3.936 30 40 GHEB N#Cc1cc(N/N=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1C#N 5756605 ZCJNUWWONCJDCL-IFRROFPPSA-N 376.159 3.797 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 9220420 JJDOGLJFZGTVIA-HXUWFJFHSA-N 381.436 3.805 30 40 GHEB CC(=O)COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 9547640 YBBJVGPGGNQONG-FXBPXSCXSA-N 386.787 3.791 30 40 GHEB CCCCCCCCS(=O)(=O)C[C@H](O)CSc1nc(C)cc(C)c1C#N 97956943 HCQHVGKUKWIUSD-QGZVFWFLSA-N 398.594 3.798 30 40 GHEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503437 BOTZEMOULBPEAR-ZNWLFMFGSA-N 394.562 3.602 30 40 GHEB C=CCc1cc(CO)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 409117767 PCCUVIAMTQDAKX-UHFFFAOYSA-N 382.865 3.727 30 40 GHEB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408802022 XZUUTFHJZBVKSO-UHFFFAOYSA-N 380.449 3.669 30 40 GHEB N#Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 6800779 WWGJEUFLUKEFBL-UHFFFAOYSA-N 395.415 3.750 30 40 GHEB COc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 4958293 WOJJYHZSZSSQJL-FPLPWBNLSA-N 388.416 3.634 30 40 GHEB N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 47261995 HSKUWPBTOXXTEH-MRXNPFEDSA-N 399.292 3.566 30 40 GHEB C=CCN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1nc(-c2ccccc2)cs1 23078505 YTGUYMGAEFUTFD-JXFKEZNVSA-N 399.541 3.783 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S 1083168 DJVVMCWHTWDGLD-FLIBITNWSA-N 387.267 3.678 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccncc1 107551953 ACIUEVLTFIKQLB-XHSDSOJGSA-N 385.537 3.796 30 40 GHEB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)c1 15026913 PHOZSAKHRMDSQU-IBGZPJMESA-N 385.508 3.526 30 40 GHEB Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2F)o1 7194547 FOYPFOTYEWNAOF-UHFFFAOYSA-N 386.408 3.816 30 40 GHEB C/C(=N\NS(=O)(=O)Cc1ccccc1)c1ccc(N2CCCCCC2)cc1 98052596 HUSBAKLYERTMKS-RELWKKBWSA-N 385.533 3.911 30 40 GHEB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 505941914 FNTWMLUOESUSFD-YSVLISHTSA-N 395.425 3.671 30 40 GHEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 19087902 JNGPARRXXCXUBZ-NRFANRHFSA-N 390.439 3.704 30 40 GHEB Cn1cc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c2ccccc21 102707304 AVJVADVFLYYSHX-MCEIDBOGSA-N 385.427 3.687 30 40 GHEB N/C(=N/OCc1cc(-c2ccccc2)on1)c1ccc(N2CCCCC2)nc1 58368490 CIAUTQAPSLFANM-UHFFFAOYSA-N 377.448 3.564 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 409360837 PDXMUBBDYICUNV-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB O=C1/C(=C\c2ccncc2)N(CCc2ccccc2)S(=O)(=O)c2ccccc21 13730865 KFFBFHCHJYPABA-CAPFRKAQSA-N 390.464 3.552 30 40 GHEB N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Br)cc3)CC2)cc1 14232045 DSZBRVJRRNULMA-UHFFFAOYSA-N 398.304 3.669 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(=O)O)cc1 4819725 BZUJMHCJEWXJLM-UFFVCSGVSA-N 379.376 3.542 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(OCc2cccc(F)c2)c1 409407620 UXZCVGZAQNBFTR-IDPBPBMLSA-N 390.414 3.546 30 40 GHEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408719567 WMMZJIDCFVODKH-SFHVURJKSA-N 397.412 3.704 30 40 GHEB O=C(O)COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408532313 UDGQXSPENVMPFS-DHDCSXOGSA-N 388.832 3.695 30 40 GHEB COc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)O)C2=C1C(=O)CCC2 409074533 MTGKGMQXSGSQFJ-UHFFFAOYSA-N 395.455 3.583 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 66091534 BFRIBZZQWBQSFB-QGZVFWFLSA-N 389.448 3.892 30 40 GHEB CC1(C)CN(C(=O)c2ccnc(C#N)c2)[C@@H]1C1CCN(Cc2ccccc2)CC1 584820513 UGRGCLCENAXTNL-JOCHJYFZSA-N 388.515 3.716 30 40 GHEB COCCCCN1C(=O)[C@H](Oc2cc(C)cc(C)c2)[C@@H]1c1ccc(C#N)cc1 58085101 QFPNHNQVGJWZAO-FCHUYYIVSA-N 378.472 3.933 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O 3184136 IRUBSRNMSLUURK-SSDVNMTOSA-N 395.337 3.906 30 40 GHEB COc1ccc2oc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c(C)c2c1 60391525 HEBRMMBBIXPBMP-UHFFFAOYSA-N 389.455 3.580 30 40 GHEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc(N2CCNC2=O)c1 32926198 DLRYOISEDVQNLO-UHFFFAOYSA-N 387.464 3.930 30 40 GHEB O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1ccc(SC(F)F)cc1 5649631 VYGYEEQIPVFYID-VDLQQMNMSA-N 381.429 3.759 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)c2C)cc1 408585989 ACRUSCYKDYSMTL-DXKXHECNSA-N 387.483 3.934 30 40 GHEB CCc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9110129 JWPXIVWVMGMUSJ-PKOBYXMFSA-N 388.467 3.724 30 40 GHEB O=C(CCn1cc([N+](=O)[O-])cn1)OCC#Cc1ccc(Oc2ccccc2)cc1 95979715 NTZUDJIOQFWVFV-UHFFFAOYSA-N 391.383 3.569 30 40 GHEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(C)n1-c1ccc(F)cc1 408587438 FWZIAEUVECXFIY-AJPRLUCXSA-N 391.446 3.764 30 40 GHEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409084227 BZIDMDLFFWZIJC-CIAFOILYSA-N 393.359 3.923 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1O 408598744 AMUDQEVKDDXNPZ-UHFFFAOYSA-N 384.436 3.707 30 40 GHEB O=c1oc2ccccc2cc1-c1cs/c(=N\N=C\c2cccc([N+](=O)[O-])c2)[nH]1 12360300 QTDIHIWIWBLSDI-KEBDBYFISA-N 392.396 3.693 30 40 GHEB O=C1ON=C(c2cccs2)/C1=C/c1cccc(I)c1 12428794 BDHXLKHVZCNANG-FLIBITNWSA-N 381.194 3.697 30 40 GHEB Cn1c([C@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)nc2ccccc21 40089606 HAVORULNCLILLL-MRXNPFEDSA-N 389.846 3.962 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 101662509 JMRUHUAVKUZUQH-LJQANCHMSA-N 379.888 3.950 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2ncccn2)n(Cc2ccccc2)c1C 8541109 WPORWJMGOSWNBV-UHFFFAOYSA-N 377.473 3.546 30 40 GHEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 102962237 QGLNGCHAEXBNRJ-HLGQQVFSSA-N 383.448 3.948 30 40 GHEB CCc1ccccc1Nc1nc(N)nc(COc2ccc(C#N)cc2Cl)n1 12516117 SYRRPACGAFXOGW-UHFFFAOYSA-N 380.839 3.864 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 58158932 HDLKEKJJSXOICR-YJBOKZPZSA-N 381.432 3.577 30 40 GHEB C=CCn1c(C)cc(-c2csc(NC(=O)Cn3c(C)csc3=O)n2)c1C 10255885 PLCDCVWWCJSAGJ-UHFFFAOYSA-N 388.518 3.585 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 22608239 SIBRPEWKTLAKLL-HWPZZCPQSA-N 392.381 3.964 30 40 GHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3ccc(Cl)cc3)S2)cc1 4899181 UPZUALYCABJPEP-QQZPLFJDSA-N 387.892 3.903 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(F)cc2)cc1 9332103 JRXPFABARVPBAL-QVKFZJNVSA-N 390.418 3.842 30 40 GHEB COc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccccc1F 409352696 YAOIBFARUHXASE-UKWGHVSLSA-N 390.461 3.608 30 40 GHEB C/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N1C 408930209 UCLKWGVMSBOHKW-ZOBMXMCISA-N 376.821 3.830 30 40 GHEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(C)ccc21 32094545 ARKGAYCVFVTTFY-HSZRJFAPSA-N 384.439 3.991 30 40 GHEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)c1 83316659 PELAVSYACQASNO-MFOYZWKCSA-N 383.429 3.677 30 40 GHEB Cc1ccc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)cn1 585293682 JSDXTMIKJWMQRJ-SFHVURJKSA-N 376.489 3.616 30 40 GHEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc(OC)c1OC 6475794 ALPXEBXODWNXBJ-GZTJUZNOSA-N 384.457 3.912 30 40 GHEB FC(F)C(F)(F)Oc1cccc(/C=N/n2c(S)nnc2C(F)(F)F)c1 2790209 PRTUXIZBQATHMR-DENHBWNVSA-N 388.268 3.705 30 40 GHEB O=C1C=CC(=O)[C@@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100437600 NLQWHIOPRSWUAS-ZHYWTAKUSA-N 380.869 3.772 30 40 GHEB CCCCOc1ccc(CNC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 33605967 VURLAGFNSGHSIZ-STZFKDTASA-N 386.477 3.772 30 40 GHEB C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 9419681 NPVAOXSGEDEGJQ-SYEOYNTFSA-N 389.201 3.917 30 40 GHEB C#CCOC(=O)c1cccc(-c2nc3ccc(C(=O)OCC#C)cc3s2)c1 73635291 LJEAIAWKRHXNEB-UHFFFAOYSA-N 375.405 3.543 30 40 GHEB COCCCCN1C(=O)[C@H](Oc2cc(C)cc(C)c2)[C@H]1c1ccc(C#N)cc1 58085105 QFPNHNQVGJWZAO-FGZHOGPDSA-N 378.472 3.933 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1)[C@@H]1C[C@@H]31 1529337410 IUVVCKYNMGDRRT-USVNVPNISA-N 392.842 3.987 30 40 GHEB O=C1/C(=N\c2cccc(O)c2)C(n2nnc3ccccc32)=C(O)c2ccccc21 4311632 FRIVZYDDFGIBKM-NMWGTECJSA-N 382.379 3.990 30 40 GHEB Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(-c2ccc(Cl)cc2)n1 619462485 AAJWYAKFHBESMT-UHFFFAOYSA-N 386.864 3.701 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)C3CCCCC3)ccc21 9167072 AHNQPSSGWMHIPD-UHFFFAOYSA-N 392.521 3.699 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(F)c2)cc1 17014951 VAGMODVMQRSINV-QVKFZJNVSA-N 390.418 3.842 30 40 GHEB Cc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)cc1 1354965 ABHWFNUBBYFZBJ-UHFFFAOYSA-N 391.452 3.917 30 40 GHEB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1OC 6053253 MXHURLNZNWWOHU-GOSISDBHSA-N 386.835 3.868 30 40 GHEB CC/C(=N\N=C1\N=C(O)[C@H](CC(=O)NCc2ccccc2)S1)c1ccccc1 1014086 LXNYYIAMRCFMPJ-KHCKMINHSA-N 394.500 3.935 30 40 GHEB O=C1C[C@H](C(=O)N2CCCS/C2=N\c2ccccc2)CN1Cc1ccccc1 24764879 VDSWYOXCJUXMSB-KYAFNBKBSA-N 393.512 3.688 30 40 GHEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12936136 GPBCETUJPBBRPG-WMLDXEAASA-N 397.500 3.945 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(O)c(/N=C/c2c(C)[nH]c3ccccc23)c1 13015036 CCJVDFJEGHYINE-FYJGNVAPSA-N 385.489 3.963 30 40 GHEB COc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 13776867 XGTQVDQANAQPRW-UHFFFAOYSA-O 382.871 3.690 30 40 GHEB C[C@]1(Cl)/C(=N\S(=O)(=O)c2ccccc2)C=C(Cl)C(=O)[C@@]1(C)Cl 4387358 KIIBTDLCWOAIKI-LKBFYGTBSA-N 380.680 3.517 30 40 GHEB C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OCC)c1OCc1ccc(F)cc1 13942627 BLEGTGFAONHSKR-WQRHYEAKSA-N 396.418 3.712 30 40 GHEB O=C(C[N+]12CCN(CC1)CC2)Nc1ccccc1Sc1ccc(Cl)cc1 6650285 WSAYMUXZSFDMRU-UHFFFAOYSA-O 388.944 3.576 30 40 GHEB CCc1ccc(-n2c(C)cc(C(=O)CSc3ncc(C#N)c(N)n3)c2C)cc1 7462678 UXJKLOFIOGSVOL-UHFFFAOYSA-N 391.500 3.875 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccco1 9390066 OSHVYQBFJHZOSY-UHFFFAOYSA-N 388.880 3.786 30 40 GHEB COc1cc(OC)cc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 13479744 CRYWRILZWVNKGC-YTFSRNRJSA-N 399.450 3.694 30 40 GHEB biogenic CCSC1=N[C@H](c2ccc(NC(C)=O)cc2)[C@@]2(C#N)C(N)=NC(SCC)=C12 4727232 XEJJXOARHAGLFI-BEFAXECRSA-N 399.545 3.697 30 40 GHEB CCN1CCN(c2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)CC1 8654795 BDKJNOPSOSKJIR-UHFFFAOYSA-N 392.459 3.836 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1=O 3631281 JBJCOXJVNUHNGK-UHFFFAOYSA-N 377.469 3.986 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccn5)CC4)[C@H]3C[C@@H]12 4023385 QMEJGQOTWQAANE-XQWURTRYSA-N 395.547 3.518 30 40 GHEB biogenic CC(=O)N1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2C#N)C1 4275194 WKKSPWCVEFTIIK-UHFFFAOYSA-N 393.390 3.795 30 40 GHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 5177293 PMRNDFHFXOBYJK-HIPMGEKLSA-N 383.356 3.541 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cccc([N+](=O)[O-])c1 5249770 BXWUKKKMCNRUTI-OCKHKDLRSA-N 388.335 3.825 30 40 GHEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCN(C(=O)c2cccs2)CC1 6756213 LWKLXYNZRAPUHZ-UHFFFAOYSA-N 398.875 3.891 30 40 GHEB CCCCCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)NC1=O 8387023 QBAXXAKMVAYMJT-NNIWKIFQSA-N 377.510 3.986 30 40 GHEB N#CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 8725568 DITNWMLCZNDOBO-UHFFFAOYSA-N 379.441 3.696 30 40 GHEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3nc(N)nn32)s1 18200630 QJPGUYLPQBGZTH-QLJPJBMISA-N 383.502 3.707 30 40 GHEB Cc1cccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(N4CCCCC4)nc(=O)c32)c1 19820028 XDNRTKIHBXNFPP-GOSISDBHSA-N 390.487 3.633 30 40 GHEB CCOc1ccc(C2C3=C(CCCC3=O)N(CC(=O)O)C3=C2C(=O)CCC3)cc1 19913910 GKQKTLSYRIAKNJ-UHFFFAOYSA-N 395.455 3.583 30 40 GHEB Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)c[nH]2)n(C2CCCC2)c1C 32882707 REFPQUJIMDCBAB-UHFFFAOYSA-N 388.855 3.869 30 40 GHEB Cc1noc(C)c1S(=O)(=O)/N=C(O)/C=C/C1=Cc2cc(Cl)ccc2OC1 48491054 PSQQVPREGZBONN-ZZXKWVIFSA-N 394.836 3.622 30 40 GHEB O=[N+]([O-])c1cccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)c1 409102400 SNUYIXVIKXLBFR-CIAFOILYSA-N 393.359 3.923 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccs1 102505705 HVRYLXPZTPDALH-LFVOPCPISA-N 398.528 3.902 30 40 GHEB C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 4839050 NSZBKZDOLOTVRR-LDADJPATSA-N 396.830 3.567 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1cccs1 6813515 IBQLGDRAJAHHDK-RHSMWYFYSA-N 387.432 3.645 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nncs3)[C@H]2c2ccc(F)cc2)cc1 104193525 PXBFNQPBLYLHMR-UYTDBDHRSA-N 395.415 3.612 30 40 GHEB C/C(=N/O)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104295749 JSXDQSHKRYGMCJ-JSZLPTJFSA-N 380.444 3.658 30 40 GHEB C#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 23010303 RYGSUJGMVBVWTM-IOFSEFHDSA-N 376.500 3.814 30 40 GHEB O=C(CCc1ccc2c(c1)OCO2)NCC#Cc1cccc(C(F)(F)F)c1 12736034 LQIPPQSSNLYHLS-UHFFFAOYSA-N 375.346 3.535 30 40 GHEB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 3497258 ZGSZPVAVOKUNEE-UHFFFAOYSA-N 395.802 3.971 30 40 GHEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)C1(c2cccc(F)c2)CCC1 48677692 FVVDFAOCDZAVQM-UHFFFAOYSA-N 376.453 3.581 30 40 GHEB C=CCn1c(SCC(=O)N(C)Cc2ccc(C)cc2)nc2ccsc2c1=O 8883603 FIYURSRSKFBYTP-UHFFFAOYSA-N 399.541 3.703 30 40 GHEB COc1cccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1 4676537 JKINITMAIIVUTL-UHFFFAOYSA-N 384.233 3.923 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccccc1)c1cccs1 7017388 BWOYGKQFNQUJDE-NRFANRHFSA-N 378.453 3.913 30 40 GHEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc([N+](=O)[O-])cc1 17208641 PTKYFZXCUZPLGV-UHFFFAOYSA-N 382.827 3.833 30 40 GHEB CC(C)N1/C(=C/C2=Cc3ccccc3OC2)C(=O)c2ccccc2S1(=O)=O 9531835 XLOKPOKNQFZYPI-LDADJPATSA-N 381.453 3.642 30 40 GHEB Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1Cl 89643348 NHYACPKZDZMBRD-UHFFFAOYSA-N 399.838 3.782 30 40 GHEB Cc1cc2cc(C#N)c(NCCNC(=O)c3c(F)cccc3F)nc2cc1C 35315818 XKTDFXSCBUPNBF-UHFFFAOYSA-N 380.398 3.843 30 40 GHEB COc1c(O)ccc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1[N+](=O)[O-] 408721603 VMKZLOPKTCHBGW-DHDCSXOGSA-N 399.428 3.817 30 40 GHEB N#Cc1cccc(CN2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)c1 306142448 WZLRZRWTRXWEHQ-VXKWHMMOSA-N 381.483 3.732 30 40 GHEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218549253 LVVBPJUYLQELHU-OKZBNKHCSA-N 379.840 3.575 30 40 GHEB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692908 PLLBYYHGUBHVJJ-UHFFFAOYSA-N 391.518 3.683 30 40 GHEB C=CCN(C(=O)CCn1c(=O)n(CC)c2ccccc21)[C@H]1CCc2ccccc21 32915480 YPHOBHWAXFMFRO-FQEVSTJZSA-N 389.499 3.915 30 40 GHEB C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1OC 8112791 XFKHOSUVWZNDAY-LJQANCHMSA-N 381.453 3.514 30 40 GHEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1O[C@H](C)C(=O)O 9264224 WOKIMBQUJQYNMW-LGVXEURYSA-N 398.459 3.524 30 40 GHEB C=CCN(CC=C)C(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8328221 LAVAKGGYWIRNGO-UHFFFAOYSA-N 380.444 3.527 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(c4ccccc4)CC3=O)n2)cc1OC 3885569 HVCJUKRPCLYIRO-UHFFFAOYSA-N 393.468 3.544 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc21 4492813 JSJBBFLGNIEWMS-CQSZACIVSA-N 386.521 3.861 30 40 GHEB CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 4699136 JAGWAHFLRTYVQE-YUCJCZDXSA-N 375.400 3.555 30 40 GHEB Cc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c(=O)c(C#N)c1C 7441805 DHKKLILUYPLUDT-UHFFFAOYSA-N 390.468 3.522 30 40 GHEB CNC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 9423951 YAMDFHFIAHFGKJ-SNVBAGLBSA-N 385.455 3.961 30 40 GHEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cc(Cl)cc(Cl)c1 408536624 SHEPIQHGBMYDPS-CHPZLBCBSA-N 394.258 3.579 30 40 GHEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409158735 YUMCYJCNJIKRJK-LZYBPNLTSA-N 397.843 3.887 30 40 GHEB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4C#N)cc3c2C1 32945362 ZQPIGLSNIFQJPX-CQSZACIVSA-N 387.439 3.960 30 40 GHEB CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1c1ccnc(C#N)n1 1651685213 CUMNVEMQUZZLTB-INIZCTEOSA-N 375.398 3.862 30 40 GHEB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 8654642 GUGBYEBZOKSXAX-UHFFFAOYSA-N 390.468 3.602 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2nsc(-c3ccccc3)n2)n1 2502416 XCPHTMZOAWKKCL-UHFFFAOYSA-N 381.486 3.819 30 40 GHEB CN1/C(=C\C(=O)COC(=O)c2ccc(Cl)cc2N)C(C)(C)c2ccccc21 17751524 JKQZASPFFKWFQZ-ODLFYWEKSA-N 384.863 3.960 30 40 GHEB O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21 13787169 VKCKQOLKJFSPPC-WQRHYEAKSA-N 385.803 3.787 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cc(C)on1 8740964 IEXPPDQZYJHXTM-KRWDZBQOSA-N 396.424 3.836 30 40 GHEB N#CC1(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)CCCCC1 4958968 OAFCHTOYPAVXQN-UHFFFAOYSA-N 380.419 3.778 30 40 GHEB C#CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Cl 408935872 DZQBGULMDPLABK-SFQUDFHCSA-N 378.815 3.794 30 40 GHEB CC(C)(C(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1)c1ccc(F)cc1 541121734 VBXWSMIYPNYDJM-UHFFFAOYSA-N 382.826 3.875 30 40 GHEB C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 43739571 RFZNKQNWYYAFJS-UHFFFAOYSA-N 388.489 3.534 30 40 GHEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1cc(C)ccc1C 223735723 PJTFITNWKZQXOR-ATJXCDBQSA-N 397.500 3.599 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C(/N=C2/C=CC(=O)C(Cl)=C2)c2ccccc2)cc1 16779882 GBKLYFFLGOBLBT-NHBJRGMZSA-N 398.871 3.833 30 40 GHEB COc1ccc2c(c1)/C(=N/OC(=O)c1cc(OC)c(OC)c(OC)c1)CCC2 5351755 CNJUXNCUWNSWGB-OQKWZONESA-N 385.416 3.618 30 40 GHEB CC1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)CC1 35457530 XDVAGHGWIMFFKQ-UHFFFAOYSA-N 380.467 3.720 30 40 GHEB N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(Br)cc2F)cc1 7564424 TXFWFXDUDCTROG-UHFFFAOYSA-N 391.196 3.797 30 40 GHEB NC(=O)CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9195993 AWJKAXJFZPGRLN-AUEPDCJTSA-N 389.286 3.947 30 40 GHEB CN(CC1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C 103457125 GGURTLJWMKVKGB-CMDGGOBGSA-N 383.492 3.677 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl 408798907 GJPDSICYGBDIOY-RVDMUPIBSA-N 396.830 3.880 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2c2ccc(C)cc2)c(OC)c1 13551973 CCSHTNKUOINPQD-PYUKZKILSA-N 383.473 3.871 30 40 GHEB CCOC(=O)c1cc(Cl)c(OCC(=O)NC2(C#N)CCCC2)c(Cl)c1 18772391 RONJKQCGRWLFKE-UHFFFAOYSA-N 385.247 3.501 30 40 GHEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1OC 7333696 QJDKTDVQDWNPKI-GQCTYLIASA-N 387.819 3.974 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)SC1=S 408806606 ALCHDJGVOYPKLU-DHDCSXOGSA-N 388.426 3.948 30 40 GHEB N#CC[C@@H](NC(=O)Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1 84522251 DVENMLBNUFWIKF-QGZVFWFLSA-N 384.867 3.953 30 40 GHEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F 46708930 CEBJYDZRZMOLNY-UHFFFAOYSA-N 391.779 3.644 30 40 GHEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 226693886 YPNVUYNTXIEDTP-FWMHXUTKSA-N 386.451 3.797 30 40 GHEB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccccn3)CC2)n1 585294551 IHDIUMQQDFRUNN-UHFFFAOYSA-N 385.475 3.570 30 40 GHEB Cc1cccc(C)c1/N=C1\NC(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)S1 58407804 TYJPAAWDMLSXBH-MFOYZWKCSA-N 393.447 3.915 30 40 GHEB O=c1cc(/C(O)=N/c2nnc(CCc3ccccc3)s2)c2ccccc2[nH]1 31808141 SIPTZVNBMQMWAD-UHFFFAOYSA-N 376.441 3.801 30 40 GHEB CCCCc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCCC2 20591590 OIGAMOXWJZDQFU-UHFFFAOYSA-N 392.503 3.730 30 40 GHEB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C#N)c1 3375800 MAOJRIIULGLDMQ-UHFFFAOYSA-N 381.251 3.520 30 40 GHEB Cc1cc(Cl)c(S(=O)(=O)N/N=C\c2ccc(N(C)C)cc2)c(Cl)c1 33316824 HXILKFNMQLGQRE-GRSHGNNSSA-N 386.304 3.680 30 40 GHEB C=CCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1nc(-c2ccccc2)cs1 23078502 YTGUYMGAEFUTFD-UZLBHIALSA-N 399.541 3.783 30 40 GHEB CN/C(=N/c1ccc(C)c(C)c1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18127693 WSIKUVDZKVQLGC-SFHVURJKSA-N 397.500 3.584 30 40 GHEB CC1(C)S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 17835422 YFLAMVDUFHQTEA-MNDPQUGUSA-N 394.905 3.943 30 40 GHEB N#CCCN(C(=O)COC(=O)c1cccc(Br)c1)c1ccccc1 5900685 JSWDJFUAGWABED-UHFFFAOYSA-N 387.233 3.553 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)n1 7832149 BWTJVFOMMWBFFQ-HNNXBMFYSA-N 395.513 3.878 30 40 GHEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccoc1C 9647399 OPNXDIMNHSEHHB-UHFFFAOYSA-N 379.445 3.561 30 40 GHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)cc1 224854839 BQBZKFWEUUVBJF-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB C=CCN(c1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccccc1 260565814 VTNZICDPZWJVGK-SFHVURJKSA-N 398.528 3.940 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)[C@@H](C)CC)C2=O)cc1 5373785 XLYAZCBAYVUAAM-XBSWBIMNSA-N 391.514 3.952 30 40 GHEB CCCCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 1713385 GZRMYECUVCCQQF-UHFFFAOYSA-N 380.558 3.973 30 40 GHEB NC1=NN(c2ccccc2)C(=O)/C1=N\Nc1c(Cl)cc(Cl)cc1Cl 102995871 YHTSLBREMXLAKZ-BKUYFWCQSA-N 382.638 3.734 30 40 GHEB C=CCSCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 48365293 SSYFPYGVZQWCFP-UHFFFAOYSA-N 376.503 3.654 30 40 GHEB CCC(C)(C)N(CCC#N)C(=O)c1c(F)cccc1I 97165014 IKSPLDUEGWATGG-UHFFFAOYSA-N 388.224 3.975 30 40 GHEB COc1cccc(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c1 95117247 RBGJNSGFWPYTKN-MRXNPFEDSA-N 375.424 3.885 30 40 GHEB COc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 20953326 YRDILHZTEFKHSM-OAQYLSRUSA-N 393.487 3.788 30 40 GHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccncc1 12323413 RPBSDXMWLNDVFV-UHFFFAOYSA-N 395.484 3.771 30 40 GHEB O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1 12566388 FSCMMYJQJIQYIR-UHFFFAOYSA-O 392.460 3.611 30 40 GHEB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 58227756 FRFMXIJAZYJCEM-GOSISDBHSA-N 375.472 3.602 30 40 GHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5ccccc5C4)[C@H]3[C@@H]3O[C@@]132 4028637 YRYDGSXOQSVDAV-DBUGVXSJSA-N 381.516 3.570 30 40 GHEB biogenic N#CC1(C#N)[C@@H](C(=O)c2ccccc2)C12CCN(C(=O)OCc1ccccc1)CC2 4655502 CVEMIWCGOCBWKD-NRFANRHFSA-N 399.450 3.952 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 8488707 IKQVQHXAVJVFSY-ZDUSSCGKSA-N 383.452 3.785 30 40 GHEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224832900 DYAYQRKODVCIOU-UHFFFAOYSA-N 379.865 3.801 30 40 GHEB COc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1 245226500 ZMNNRHTZYVUDQN-UHFFFAOYSA-N 389.278 3.887 30 40 GHEB Cc1cc(C)c2c(N)c(C(=O)OCc3cn4ccccc4c3C#N)sc2n1 1615631407 WVCIJPJXDDDPKV-UHFFFAOYSA-N 376.441 3.977 30 40 GHEB COCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 5879642 MFVFIHDNBRQOFC-KDWIEBRMSA-N 382.441 3.666 30 40 GHEB O=Cc1cc(C#Cc2ccc(C#Cc3cc(C=O)cc(C=O)c3)cc2)cc(C=O)c1 1911936400 DIXBYXCBJOXKBM-UHFFFAOYSA-N 390.394 3.736 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)c1 6668085 LXQGCCVMLLCCCA-IBGZPJMESA-N 399.443 3.682 30 40 GHEB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 7348395 QWPWNSLAPPHZMF-UHFFFAOYSA-N 397.500 3.764 30 40 GHEB N#CCn1c(CSc2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 31781914 FPLVQRFCKKVBIT-UHFFFAOYSA-N 397.410 3.957 30 40 GHEB O=C1C(=O)N(c2ccccn2)[C@@H](c2cccnc2)/C1=C(O)/C=C/c1ccccc1 102515437 IPAYMLVTMYUGJD-DYEZFNIYSA-N 383.407 3.659 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@@H](C)CC2=O)N1 4581923 WDMDPAHLJCZPAM-MPBGBICISA-N 379.485 3.996 30 40 GHEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102929653 LWNFGTIAIGRGKX-DPGTYXLWSA-N 397.858 3.941 30 40 GHEB CC(C)COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 664150 UHQSQKBYUQRVCM-INIZCTEOSA-N 375.852 3.830 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc2c1=O 12633320 BTCUYARYMRINRG-UHFFFAOYSA-N 397.456 3.515 30 40 GHEB COc1ccc(CCNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 3318429 XFGCBQBJMGAAEB-UHFFFAOYSA-N 386.451 3.972 30 40 GHEB Cc1ccc(/N=C2\S/C(=C/c3cccc(OCC(=O)O)c3)C(=O)N2C)cc1 408906051 GWYDFMWLOAVZHF-OUYOUGTCSA-N 382.441 3.692 30 40 GHEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCc2ccccc2)cc1 6050387 DUOQJCSRDIHELE-FQEVSTJZSA-N 394.496 3.788 30 40 GHEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C1\C(=O)Nc2ccccc21 6927934 COZIJLRKLIEGSR-YPKPFQOOSA-N 389.358 3.919 30 40 GHEB COc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)cc(OC)c1OC 6924191 PFNFFNUHDSAQTP-BOPFTXTBSA-N 384.457 3.912 30 40 GHEB N#Cc1ccc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 7707017 CICUKYYGITXSNO-JOCHJYFZSA-N 384.435 3.643 30 40 GHEB CCN(Cc1ccc(OC)c(F)c1)C(=O)COc1ccc(C#N)cc1Cl 7857184 MWZBXAMAVBQUQX-UHFFFAOYSA-N 376.815 3.787 30 40 GHEB C=CCCC(=O)OC[C@@H]1CN(Cc2ccccc2)C[C@@H]1COC(=O)CCC=C 95450736 ACUMJCXWQGTCHO-OYRHEFFESA-N 385.504 3.753 30 40 GHEB C=CCc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(OCC)c1O 38189039 HENUDFIOZRIKSV-MHWRWJLKSA-N 396.399 3.615 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 78549905 DLBUIWLSIIHTAV-LJQANCHMSA-N 383.419 3.831 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc2c(c1)OCO2 2154844 HQJPELHJTXCCNR-ZBKNUEDVSA-N 387.347 3.646 30 40 GHEB biogenic N#CCCN(C(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 31707928 DEHZGKFEIQEZDA-UHFFFAOYSA-N 377.759 3.713 30 40 GHEB COc1ccc([C@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)c(OC)c1OC 15107082 OYYSHYLCCHUBKF-IBGZPJMESA-N 393.443 3.918 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)s1 32891697 KNUJORHVDLWBFP-UHFFFAOYSA-N 386.886 3.813 30 40 GHEB O=[N+]([O-])c1ccc(NC(=S)N/N=C(/c2ccccc2)c2ccccn2)cc1 6514070 VSSBEXAOUHFQCZ-PYCFMQQDSA-N 377.429 3.729 30 40 GHEB N#Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2F)sc2c1CCCCC2 46877526 GQJBTJDACWFGSQ-UHFFFAOYSA-N 389.408 3.953 30 40 GHEB C=CCN(CC=C)C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O 796156 BEWZJVWEBILWKJ-UHFFFAOYSA-N 390.483 3.807 30 40 GHEB C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 3314071 FFLCVWKEKRQVIF-QHCPKHFHSA-N 398.506 3.848 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C1CC1 2368998 XPECCQDJWHCOKQ-UHFFFAOYSA-N 393.310 3.835 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 4944449 FCRHOLHKCNXJOP-JTQLQIEISA-N 381.379 3.541 30 40 GHEB COc1cc(/C=N/O)c(Br)cc1OCC(=O)Nc1ccccc1C 15989819 OYWLVJVNKNVMDY-DJKKODMXSA-N 393.237 3.592 30 40 GHEB Cc1cc(C)c(C#N)c(SC[C@H](O)COc2ccc(Br)cc2)n1 8389789 BTFQDFVNWUAUEX-CQSZACIVSA-N 393.306 3.865 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408857439 GLQPURHXEKLCKR-QGMBQPNBSA-N 376.825 3.623 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148664246 LZRIKPNDAXJQMV-UHFFFAOYSA-N 388.471 3.716 30 40 GHEB CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 58265004 XRVJOQDMGKSSFM-QFIPXVFZSA-N 376.504 3.612 30 40 GHEB COc1ccc(C(=O)C[C@H]2S/C(=N\N=C\C=C\c3ccccc3)NC2=O)cc1 6584078 WGHQVJLGEANENY-IYVSFDRISA-N 393.468 3.555 30 40 GHEB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1C#N 6913582 CRTXKRJHYMTPAE-GFCCVEGCSA-N 381.436 3.612 30 40 GHEB CC(C)(C)n1nc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1C1CC1 53212115 FTCUXOIJZBYISI-UHFFFAOYSA-N 391.519 3.740 30 40 GHEB O=C1/C(=N\Nc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1 4578368 CSMQKLPCIGAZNG-ATJXCDBQSA-N 385.383 3.814 30 40 GHEB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)/C=C/c3ccco3)c3ccccc32)cc1 4525633 GORCEZFKALAXDU-BYUVYSIJSA-N 387.435 3.995 30 40 GHEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 7858373 VVAIGAPPXSHLPY-NSHDSACASA-N 375.222 3.735 30 40 GHEB CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 408967466 RYIIRUYKUXEMMK-UCQKPKSFSA-N 397.500 3.891 30 40 GHEB C=CCN(c1ccc(C(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccccc1 224370860 RDQHVHLGIREATM-UHFFFAOYSA-N 398.528 3.940 30 40 GHEB Nc1nc(N2CCCCC2)nc2c1[C@H](c1ccccc1)C1=C(CCCC1=O)N2 13637482 YDAAOEKSYJTWER-QGZVFWFLSA-N 375.476 3.614 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC 16976613 LIKJOGFLTBTPGN-FQEVSTJZSA-N 395.455 3.618 30 40 GHEB CCN(c1ccc(/N=C2/C=C(C(=O)NC)C(=O)c3ccccc32)cc1)C(C)C 100041143 KYERSSZDQCEYSS-DAFNUICNSA-N 375.472 3.911 30 40 GHEB C=CCn1c(-c2ccccc2)nn(CC(=O)Nc2ccccc2OC)c1=S 8496201 RKYZXAIOLCBWNJ-UHFFFAOYSA-N 380.473 3.914 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)OCc2csc([N+](=O)[O-])c2)c1C#N 47317642 GGKUJQOLZBYOGW-UHFFFAOYSA-N 375.431 3.879 30 40 GHEB Cc1cc2c(cc1/C=N/n1c(-c3ccccc3)nc3ccccc3c1=O)OCO2 107697129 QYIZZMFRSHPBJQ-ZMOGYAJESA-N 383.407 3.983 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(OC)c1 6009463 VYTHFNYUCSLARD-MRXNPFEDSA-N 395.484 3.621 30 40 GHEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C#N)cc2)n2ncnc2N1 4704185 KXXUGLSQAKSEHW-FQEVSTJZSA-N 384.443 3.694 30 40 GHEB CCO/C=N/n1c(Cc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 4785569 VODIIZRYKHJQQP-LPYMAVHISA-N 397.500 3.728 30 40 GHEB CN(Cc1cc(Br)cs1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 83862035 WUQIKIATYXNALM-MRXNPFEDSA-N 390.306 3.620 30 40 GHEB C=CCO[C@H](C)C(=O)Nc1ccccc1[C@H](NC(=O)[C@@H](C)OCC=C)C(C)C 95443744 BOLLVIMQUOHYLV-MBOZVWFJSA-N 388.508 3.621 30 40 GHEB C#CCOc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403588 MVDFGCFDAXSZAF-UHFFFAOYSA-N 379.419 3.958 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 408590245 OIMRWWDKUMJMQA-HJABFXHLSA-N 399.494 3.790 30 40 GHEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225074464 SADBACGARVZSMW-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O 1011565 BCLZFJPPWFJRDZ-NCUBORBFSA-N 388.489 3.915 30 40 GHEB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4496201 OVADVMFGEMVPFO-UHFFFAOYSA-N 388.514 3.610 30 40 GHEB COc1ccc(C(=O)/C=C/c2cn(CN3CCN(C)CC3)c3ccccc23)cc1 20518200 GBBKVUHCQSZBSW-FMIVXFBMSA-N 389.499 3.751 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)no1 102535898 PZMMAVUUIWHKSZ-GROYHEBESA-N 395.802 3.658 30 40 GHEB COc1ccc(Br)c(C(=O)OCCOc2ccc(C#N)cc2)c1 22155794 VBIODSWRNPWFQN-UHFFFAOYSA-N 376.206 3.565 30 40 GHEB N#Cc1ccccc1CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 47261966 FMDZOGQVSAEBTA-INIZCTEOSA-N 399.292 3.566 30 40 GHEB CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100975466 GIDZVCKKOOPICU-QFPXGYFVSA-N 394.905 3.721 30 40 GHEB CCC(=O)/N=C(\NCCc1c[nH]c2ccc(Cl)cc12)Nc1nc(C)cc(C)n1 18166385 KXCHZZSAINOHPC-UHFFFAOYSA-N 398.898 3.765 30 40 GHEB N#CCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408750683 QFYPOLKPEGJMKF-VXGBXAGGSA-N 375.475 3.741 30 40 GHEB C[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccccc1C#N 7225012 YSFCWOXSKCQRAJ-NSHDSACASA-N 391.212 3.602 30 40 GHEB COc1cccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)c1 408780926 NLWUPRMJFRQZLI-FYJGNVAPSA-N 384.457 3.826 30 40 GHEB CCN(c1ccc(N=C2C=C(C(=O)NC)C(=O)c3ccccc32)cc1)C(C)C 253533214 KYERSSZDQCEYSS-UHFFFAOYSA-N 375.472 3.911 30 40 GHEB C#Cc1cccc(NS(=O)(=O)c2cc(Br)ccc2OCC)c1 12520946 TWTVCFXKFGFJCX-UHFFFAOYSA-N 380.263 3.630 30 40 GHEB N/C(=N/OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(Cl)cc1 29465325 XEXNXDAGWIDOKQ-UHFFFAOYSA-N 397.616 3.583 30 40 GHEB C=CCn1c(SCCOc2cc(C)ccc2[N+](=O)[O-])nc2ccccc2c1=O 3197181 PBJLKZKJZLQLAR-UHFFFAOYSA-N 397.456 3.970 30 40 GHEB CC(C)[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 6790020 HVENVPXVUFNKRR-JOCHJYFZSA-N 380.444 3.612 30 40 GHEB C=CCn1c(-c2ccccc2)nn(CC(=O)Nc2ccc(OC)cc2)c1=S 8475010 QUCADRMBNSPFKH-UHFFFAOYSA-N 380.473 3.914 30 40 GHEB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1cccc(C#N)c1 96002684 BFLXJSNSUQNLNP-KRWDZBQOSA-N 378.398 3.507 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC1=S 1201205 SYJUXUWPOOWHCN-GXDHUFHOSA-N 383.385 3.508 30 40 GHEB C[C@@H](c1ccccc1)n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3251265 OHNLTYHBJFIHNE-ZDUSSCGKSA-N 378.815 3.919 30 40 GHEB COC(=O)c1ccc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12608619 IFGRQHKUWXUOGN-UHFFFAOYSA-N 383.473 3.726 30 40 GHEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 3374318 LMBTXMSDHIYDHF-ZDUSSCGKSA-N 377.425 3.866 30 40 GHEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2ccccc2C1 2325181 PCRJGJIYOXGVSN-SFHVURJKSA-N 386.455 3.751 30 40 GHEB C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc(OC)c(OC)c3)O[C@]2(OC)CC1=O 29220022 IYGFCSHMPLAHTK-WBBCYVCWSA-N 388.460 3.614 30 40 GHEB biogenic,in-vitro N#Cc1cccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c1 8231964 ZQVDYMWWOLLUAG-UHFFFAOYSA-N 392.465 3.697 30 40 GHEB CCOc1cc(Br)c(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408751050 VTYKQSGPGJHMMN-LSCVHKIXSA-N 395.213 3.606 30 40 GHEB CC(=O)c1cccc(/N=C(\O)CN2CCc3cc4c(cc3C2)OCCCO4)c1 82059010 WQWHNWZUMBKISP-UHFFFAOYSA-N 380.444 3.697 30 40 GHEB biogenic C=CCOc1ccc(C(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)cc1 12187032 ZEXBEOHEQHIZMR-UHFFFAOYSA-N 390.443 3.716 30 40 GHEB CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 18029565 ZUNOVQFYHOWXKI-YWZLYKJASA-N 379.456 3.517 30 40 GHEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O 979853 YGOLRWFFWADYET-YRNVUSSQSA-N 386.654 3.781 30 40 GHEB CCCCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1873079 DBXXIMZHBOUMSC-SSZFMOIBSA-N 377.872 3.757 30 40 GHEB C[C@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4073731 SSCYZNWHTIRQSX-IHRJBMEDSA-N 387.520 3.717 30 40 GHEB biogenic CNC(=S)N/N=C/c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 4603824 KTFGDDHFBFXZPR-HZHRSRAPSA-N 385.533 3.870 30 40 GHEB C=CCn1c(S[C@@H](C)c2nc(-c3ccncc3)no2)nnc1-c1cccnc1 8726950 YMEWOJICJXCMNO-ZDUSSCGKSA-N 391.460 3.824 30 40 GHEB O=C1/C(=C\c2ccc(O)cc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 9576123 ZVHUNFIFGLQLOY-XSFVSMFZSA-N 391.448 3.821 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 19904223 ULYIIOXDBHUBCX-SFHVURJKSA-N 399.830 3.701 30 40 GHEB CCOc1ccccc1/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408961926 PKTQQDJYITZRRJ-IWIPYMOSSA-N 391.471 3.649 30 40 GHEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 6230471 VLTPJNKZNYIOKY-WQLSENKSSA-N 379.235 3.942 30 40 GHEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1C#N 4181521 XYCQBFBQCKFOFY-FOKLQQMPSA-N 390.399 3.812 30 40 GHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 5177296 PMRNDFHFXOBYJK-XACIZNRCSA-N 383.356 3.541 30 40 GHEB COc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1OC 730248 RHTAYDFMZFWMOJ-UHFFFAOYSA-N 379.416 3.797 30 40 GHEB N#Cc1cccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Br)c1 27916917 XNMBICUEFGNOBV-UHFFFAOYSA-N 399.223 3.957 30 40 GHEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3OC)N(C)C)o2)cc1 27562197 QQXOYBXUNVFMRE-LJQANCHMSA-N 392.459 3.945 30 40 GHEB Cc1cccc2c1[nH]c1nc(N/N=C/c3cc4c(cc3Cl)OCO4)nnc12 6207762 SWCMANYILHSBAP-IFRROFPPSA-N 380.795 3.643 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 4657240 HXVCXAGGUCVQJJ-UHFFFAOYSA-N 390.892 3.955 30 40 GHEB N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NC1(C#N)CCCCC1 6610804 NTBJIWIVGHHXJF-UHFFFAOYSA-N 387.439 3.725 30 40 GHEB COc1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 35672628 UTHPZJYMZOTGOP-FQEVSTJZSA-N 389.459 3.866 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)c(OC)c1 17837324 FHNHAVNSXULVOF-HXUWFJFHSA-N 395.455 3.938 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(O)c1 4186888 ACTWUIQIPUOVDZ-LIUKBUMOSA-N 378.428 3.623 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(O)cc1 100298747 ORHZVQQGVBNWOZ-XGIGFIBQSA-N 381.457 3.539 30 40 GHEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 26532262 GPDOCEJHEZYVPP-IBGZPJMESA-N 386.407 3.879 30 40 GHEB C[C@@H]1CN(C(=O)c2ccc(CNc3c(F)cc(C#N)cc3F)cc2)C[C@@H](C)O1 60320169 SSLVLAVIFGQQIJ-ZIAGYGMSSA-N 385.414 3.698 30 40 GHEB N#CCCN(C(=O)CSc1nnc(NC2CC2)s1)c1cccc(Cl)c1 22174326 ODPFVKNFLKPGPY-UHFFFAOYSA-N 393.925 3.805 30 40 GHEB C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccccc2OC)n1CC=C 8776935 FGBGXMRVCHTRAN-UHFFFAOYSA-N 398.532 3.540 30 40 GHEB O=C1/C(=C\c2cccnc2)N(CCc2ccccc2)S(=O)(=O)c2ccccc21 8990807 NJYIVUWLDAWDBN-HMMYKYKNSA-N 390.464 3.552 30 40 GHEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)c1 409099720 SYSPGOGQVWWPOE-XQNSMLJCSA-N 375.428 3.763 30 40 GHEB CC(C)/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 17077903 RWTJTARLVKAWLR-FBMGVBCBSA-N 381.295 3.788 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 8471582 MCULMKJAOXJSFM-OAHLLOKOSA-N 379.489 3.954 30 40 GHEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1COc1cccc([N+](=O)[O-])c1 8511537 NVHKWFKKRBRQGY-VXLYETTFSA-N 399.432 3.627 30 40 GHEB N#CCOc1ccccc1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O 409128644 FZTFZWUULJEDQP-WJDWOHSUSA-N 397.843 3.643 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)NCC3(c4cccc(F)c4)CC3)CC2)c(F)c1 513309035 VFVRKCLJLCZFNA-UHFFFAOYSA-N 395.453 3.901 30 40 GHEB COc1ccc(OC)c(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)c1 1004812 JPKOUNHPGLHONL-SRZZPIQSSA-N 383.473 3.545 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2c1ccccc1Cl 22134174 ZWJAWXZPMDOOJR-OAHLLOKOSA-N 394.862 3.939 30 40 GHEB COc1cc([C@H]2C3=C(CCC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1614053 ORJHTLCGWHLLIX-HXUWFJFHSA-N 396.395 3.582 30 40 GHEB C[C@@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4073730 SSCYZNWHTIRQSX-VWOPSUBDSA-N 387.520 3.717 30 40 GHEB C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 32867636 BJUFVGNPYHREIP-INIZCTEOSA-N 398.434 3.862 30 40 GHEB COc1cc(N=C2C=C(Br)C(=O)C(Br)=C2)ccc1O 4416659 LNIRENBMBXKACR-UHFFFAOYSA-N 387.027 3.614 30 40 GHEB Cc1sc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C#N)c1C 32986047 VUILIQLRNMWPGD-QGZVFWFLSA-N 395.484 3.886 30 40 GHEB CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 12652862 LJSSVYYISROYIZ-LDYSMASRSA-N 383.448 3.930 30 40 GHEB Cc1cccc(N2C[C@H](C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2=O)c1C 84213417 NBHPHUHDOGRPHS-QGZVFWFLSA-N 378.476 3.723 30 40 GHEB N#CCCn1cc(C(=O)Nc2ccc(F)cc2)c(-c2ccc3c(c2)OCCO3)n1 5000355 DFKVLSLJOFMHLW-UHFFFAOYSA-N 392.390 3.626 30 40 GHEB COc1cc2c(cc1/C=C1/S/C(=N\c3ccc(C)cc3C)NC1=O)OCO2 13881344 ZNWBZWQEHUQJDU-QGMBQPNBSA-N 382.441 3.932 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)no1 6275837 JIQGGOAZNKBSOP-KRWDZBQOSA-N 395.802 3.814 30 40 GHEB CN1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1 8654621 MJQKPRZPCYHIGR-UHFFFAOYSA-N 398.850 3.790 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 5864595 LMZHXDWNTQZCHE-HNNXBMFYSA-N 394.500 3.644 30 40 GHEB Cc1cc([C@@H]2NC[C@H](C(=O)O)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 408975961 DEEHRXMBTIMBSV-IAGOWNOFSA-N 387.530 3.694 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409877 DSJULCIZTYQBLD-HNNXBMFYSA-N 398.465 3.996 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 4312385 MUAJKKIBMBMEDO-QGZVFWFLSA-N 391.814 3.913 30 40 GHEB N#Cc1ccccc1OCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 7842341 BHRZOPMFAXQCIG-UHFFFAOYSA-N 387.443 3.561 30 40 GHEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)c1 102803511 KCUFOBWRPXXPER-LFVOPCPISA-N 390.395 3.618 30 40 GHEB C[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O 100975216 HSMNPLTXEDGFTO-DUUUWJQVSA-N 386.926 3.681 30 40 GHEB C=CCn1c(SCC(=O)NCCC)nc2scc(-c3ccccc3)c2c1=O 3317179 HMYYLJYDOVYYFR-UHFFFAOYSA-N 399.541 3.929 30 40 GHEB N#Cc1cnn(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1N 69460880 GGWLKZPPZMWALH-UHFFFAOYSA-N 391.481 3.927 30 40 GHEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCC)nn32)ccc1O 4436196 VOBISNPYPAXKHN-QGZVFWFLSA-N 386.477 3.516 30 40 GHEB CC(C)(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408740804 MTEDKENXLVNINC-NEIHUHTASA-N 379.485 3.751 30 40 GHEB Cc1cc(Oc2cccc(S(C)(=O)=O)c2)n2c(nc3ccccc32)c1C#N 71955224 XXCUSMGKBSTLSZ-UHFFFAOYSA-N 377.425 3.863 30 40 GHEB CN1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2F)CC1 95456249 FRPUUBYGUWDOPJ-HNNXBMFYSA-N 394.475 3.677 30 40 GHEB COC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409113016 GFIGVYPAVREGTC-ZVBGSRNCSA-N 397.309 3.611 30 40 GHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)cc1Cl 408743115 ZJHDRDQCQPWKCH-IDTCLIEOSA-N 392.267 3.760 30 40 GHEB CCCCCCCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 97949722 JBZHCQJARUHLMJ-JOCHJYFZSA-N 392.560 3.952 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1Cl 13984745 DTWRELYJOCAZTD-UHFFFAOYSA-N 392.286 3.761 30 40 GHEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 5377148 KLMRJEAUFFHLGG-IFXJQAMLSA-N 377.835 3.742 30 40 GHEB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C#N)o1 9198551 GYWWCROOVFKZLF-UHFFFAOYSA-N 380.429 3.560 30 40 GHEB COc1ccc(/C=N/c2ccc(I)cc2)cc1C(=O)O 100287269 NQZWGRXEKJAMGK-RQZCQDPDSA-N 381.169 3.749 30 40 GHEB C=CCn1c(C)nnc1SCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 12599258 AYLQUAYFUVQSHN-UHFFFAOYSA-N 385.474 3.623 30 40 GHEB CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C 1965036 SSNFQPZKFWVDDN-UHFFFAOYSA-N 393.808 3.919 30 40 GHEB N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCC2 4620195 SGKYVDBMNZZYFY-UHFFFAOYSA-N 394.525 3.985 30 40 GHEB aggregator C=CCNc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 7843419 POIMIZYZJIOGQM-UHFFFAOYSA-N 377.535 3.973 30 40 GHEB Cc1ccc(C)c(/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408963462 ZOFTZAKRKRKGES-OYKKKHCWSA-N 375.472 3.868 30 40 GHEB COC(=O)c1ccc(C)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 409098598 QTRQZDNVSWEVTL-QGMBQPNBSA-N 393.193 3.909 30 40 GHEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708486 IPBOOFMLWDTLIK-UHFFFAOYSA-N 399.491 3.625 30 40 GHEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1C(=O)O 408529342 GYYQKZJAHBBOPZ-BOPFTXTBSA-N 382.441 3.984 30 40 GHEB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1871314 UIYVZBDIGKEIAK-SGIWWYSESA-N 388.504 3.992 30 40 GHEB biogenic N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCN(C(=O)c2ccccc2)CC1 12418368 YIKBMGUXLLVXOP-UHFFFAOYSA-N 392.846 3.829 30 40 GHEB CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 4518244 FJHVAKQICUXWNT-UHFFFAOYSA-N 390.468 3.802 30 40 GHEB O=C1C(=O)N(Cc2ccco2)[C@H](c2cccnc2)/C1=C(\O)c1ccc(Cl)cc1 102865891 TZFCRLPLZQACRM-SELCWUDQSA-N 394.814 3.950 30 40 GHEB C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 2082121 VOADVRFDQJRGNR-OAQYLSRUSA-N 392.455 3.965 30 40 GHEB O=C1CCCC2=C1[C@@H]([C@@H]1CC=CCC1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673976 CAPVEHCSKDCDTB-RHSMWYFYSA-N 380.492 3.633 30 40 GHEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cc2ccccc2s1 36441015 HLTMJTXQJWPLHW-UHFFFAOYSA-N 399.497 3.624 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(F)cc2c1OCOC2 12936404 GBCKMHJPUOYNCM-UHFFFAOYSA-N 382.347 3.613 30 40 GHEB N#C[C@H](C1=NS(=O)(=O)c2ccccc21)c1nc2c(s1)CCc1ccccc1-2 5577535 LUMQNDCVHLSRKD-OAHLLOKOSA-N 391.477 3.707 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)no1 6908749 CQSPGVSAPQEVNI-SFHVURJKSA-N 378.359 3.905 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107928 IHDXWIQZCQWRPO-UHFFFAOYSA-N 392.839 3.819 30 40 GHEB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C/C(=O)c1ccc2ccccc2c1 8053952 RNTVBQGKXNGEOB-XTXLJPNXSA-N 394.496 3.909 30 40 GHEB C=C(C)CN(CC)C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 8132393 UKEVBVXGFCDCKA-UHFFFAOYSA-N 381.501 3.858 30 40 GHEB C[C@@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)NC1(C#N)CCCCC1 8429169 VUHNZKJDWYLLMS-PBHICJAKSA-N 381.505 3.885 30 40 GHEB C=CCc1cc(/C=N/O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 409064465 HFAVFJWPUYJIIP-DEDYPNTBSA-N 375.446 3.698 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 226661617 XJEYIBOJDACAPL-FCZCMBPNSA-N 385.467 3.523 30 40 GHEB CCOc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 19959959 VXTIUQFFTGFXRW-VFNWGFHPSA-N 390.443 3.994 30 40 GHEB C[C@@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccc(F)c1)O2 100162101 HYQYXMBFHQUQBX-RUOSDFBUSA-N 386.386 3.948 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)Nc3cccc(OC(F)F)c3)CC2)cc1 40120504 IDWMBGBQDLJGOA-UHFFFAOYSA-N 386.402 3.509 30 40 GHEB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(OC)cc1 101393459 DDIQPLNPGIBUCH-XGIGFIBQSA-N 383.473 3.675 30 40 GHEB COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1 607214 XYKWNRUXCOIMFZ-UHFFFAOYSA-N 385.851 3.982 30 40 GHEB in-man COC(=O)c1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 676488 PVXCWMVWHCQIMF-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccco1 795017 YVDUGMMVJRLCSP-SJKOYZFVSA-N 387.819 3.690 30 40 GHEB COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1OC 100305837 JKFXSAIYNLGFPI-LPYMAVHISA-N 397.456 3.650 30 40 GHEB C=C(C)CN(CC)c1nc(N)c(C#N)c([C@H](C#N)Cc2ccccc2F)c1C#N 24631318 GVXWHDRBOZFZCQ-INIZCTEOSA-N 388.450 3.799 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1sc2ncn(C)c(=O)c2c1C 58097156 LJEUVRBTMYIDSP-UHFFFAOYSA-N 393.921 3.847 30 40 GHEB COCCCNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCC2 12772613 JBSDHCNOPHSDTO-UHFFFAOYSA-N 397.500 3.517 30 40 GHEB C=CCOc1ccc(CN(C)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 12810908 JISPTKAPYXDRPI-UZUQRXQVSA-N 399.535 3.778 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 12972127 DPXYIYPVIPZHGF-UHFFFAOYSA-N 396.878 3.501 30 40 GHEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@H](CC(=O)NCc2ccccc2)S1 12995509 MHNXHTCNCUCJEI-SFHVURJKSA-N 395.528 3.737 30 40 GHEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(Br)cc1 4888934 KSSQZLFHMANOEU-INIZCTEOSA-N 388.217 3.644 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1 17137873 ICRMOAWHNBFFLD-FQEVSTJZSA-N 378.472 3.525 30 40 GHEB CN(C)c1ccc(C#N)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 79075789 OVOKBTISABNPRT-UHFFFAOYSA-N 376.290 3.793 30 40 GHEB CCOC(=O)c1ccc(C[C@H]2S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1 16713135 QRUDRDIJGNUXGO-GOSISDBHSA-N 382.485 3.942 30 40 GHEB C=CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2sc(CC)cc2c1=O 3364069 HEJLRXRCEDMRIK-CYBMUJFWSA-N 391.562 3.557 30 40 GHEB C#CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(Cl)c21 100909932 QLBFODXDSOCFCN-VZCXRCSSSA-N 386.860 3.748 30 40 GHEB N#CCCN(C(=O)COc1ncnc2sc3c(c12)CCC3)c1ccccc1 3249887 LYFITSSGKFETKH-UHFFFAOYSA-N 378.457 3.506 30 40 GHEB C=CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 8881707 OOXXCRNFHIXWCM-SECBINFHSA-N 382.492 3.844 30 40 GHEB Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 6008257 MGMXKPCBIBNPNE-NSHDSACASA-N 389.550 3.928 30 40 GHEB CNC(=S)N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4680984 FOPFIKYTWXFVPQ-ZVBGSRNCSA-N 398.366 3.834 30 40 GHEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)c([N+](=O)[O-])cc1OC 408980508 ROJJIBFGZYXNEW-UHFFFAOYSA-N 376.372 3.625 30 40 GHEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1O[C@H](C)CC 409351386 SREXJJBREILKJW-CQSZACIVSA-N 381.432 3.560 30 40 GHEB C=CCSc1nnc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)s1 225444018 FGFKAIDDAIHRCN-UHFFFAOYSA-N 382.492 3.596 30 40 GHEB C[C@@H](Oc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1)C(=O)O 16907153 YEVJAFHHJXAIIY-HPUUJOOBSA-N 386.404 3.569 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 5144829 DIVZEOBDWAPGSF-UHFFFAOYSA-N 391.518 3.519 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)c1 17056635 PIOQRZWBVIACIV-FQEVSTJZSA-N 386.407 3.873 30 40 GHEB N[C@H](c1c(F)c(F)c(F)c(F)c1F)[C@H](N)c1c(F)c(F)c(F)c(F)c1F 100031920 FUWCXGXKHYMDGK-ZIAGYGMSSA-N 392.196 3.777 30 40 GHEB in-vitro O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 50204652 SUQUXFYWSWSJRO-HUUCEWRRSA-N 393.848 3.560 30 40 GHEB CCOCCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCCO 4858443 BYSCBULYWYZYQZ-DQRAZIAOSA-N 387.549 3.924 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2ccc(F)cc2)no1 102802821 HFWWQJGIZOMCOZ-GROYHEBESA-N 382.347 3.650 30 40 GHEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)c1 102804533 LFTKMTBXPRVOMS-NHFXJNLRSA-N 386.407 3.717 30 40 GHEB COCc1cc(C)nc(SCC(=O)Nc2ccc(F)c(F)c2F)c1C#N 983267 OAKUVDPAEMDMSE-UHFFFAOYSA-N 381.379 3.556 30 40 GHEB OCCN(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)CCc1ccccc1 1817754 CNQUSGVDECGRSM-AREMUKBSSA-N 391.555 3.995 30 40 GHEB COc1ccc(CCNc2oc(COc3ccc(F)cc3)nc2C#N)cc1OC 4112463 QJRQQEFCBGLEPW-UHFFFAOYSA-N 397.406 3.936 30 40 GHEB O=C(C1CC1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F 4551599 UOYWXHXNXOBJHQ-CYBMUJFWSA-N 398.278 3.555 30 40 GHEB Cc1cccc(COc2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 409405168 MUMDOCYRNXZFPV-BLKABHOGSA-N 386.451 3.715 30 40 GHEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCCOc1ccc2ccccc2c1 46084780 KYECYFUXAQHKBP-XDOYNYLZSA-N 391.383 3.742 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)c2ccc(O)cc2)cc1 12378312 WLLSVBFZRLQFOD-DQRAZIAOSA-N 380.469 3.973 30 40 GHEB CN(C(=O)c1ccccc1)/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 100847970 RXOJWBHLCUSLIG-LSDHQDQOSA-N 378.453 3.594 30 40 GHEB COC(=O)C1=C(SC)N(c2ccc(OC)cc2)[C@@H](c2ccccc2)CC1=O 707799 UUKKRSCMZAAIKV-QGZVFWFLSA-N 383.469 3.963 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 2644714 HWAZTTXZRGCJRZ-HXUWFJFHSA-N 395.488 3.674 30 40 GHEB C=CCn1c(N)nnc1S[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C 32780008 IINSDXRONCFJNJ-CYBMUJFWSA-N 399.442 3.821 30 40 GHEB CCOc1ccc(CCNC(=O)Cn2cc(C#N)c3ccccc32)cc1OCC 51319125 YVECOPJAKKQKBX-UHFFFAOYSA-N 391.471 3.669 30 40 GHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cc1 100765420 NIRVHYAZVWONFP-WOJBJXKFSA-N 377.484 3.722 30 40 GHEB CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2ccc[nH]2)C1=O 409148495 QARXXDWTHNFIIW-VBKFSLOCSA-N 384.457 3.957 30 40 GHEB C=CCN(CC=C)C(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 13681863 AQDGHIMDONRHIB-UHFFFAOYSA-N 391.423 3.745 30 40 GHEB biogenic N#CC1(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)CCCCC1 6027989 PKKOXLSRSWOVNU-UHFFFAOYSA-N 376.463 3.639 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccnc1 8471267 DGPDQTWKJYTFAU-UHFFFAOYSA-N 399.907 3.588 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 14196615 ONFVXBIGDIMCGD-GOSISDBHSA-N 377.488 3.628 30 40 GHEB COc1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCC3)n2C(C)C)cc1 4549329 MHOSQPUSWQVOQB-UHFFFAOYSA-N 399.520 3.579 30 40 GHEB N#Cc1ccccc1OCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6652376 XKOGLJJXAOGLQQ-INIZCTEOSA-N 393.468 3.759 30 40 GHEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O 5879830 AOBRICIOADRANH-UYRXBGFRSA-N 379.437 3.944 30 40 GHEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 5868861 KUMPHRVKEMJHFJ-HNNXBMFYSA-N 382.489 3.622 30 40 GHEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc2c(c1)OCO2 4943818 XESKETGGQZJXRK-UHFFFAOYSA-N 377.400 3.602 30 40 GHEB C=CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1 7216471 JFPLDBNXCOBWST-UHFFFAOYSA-N 382.474 3.930 30 40 GHEB O=C(C[C@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1ccccc1 7850675 RMADTFVGSWNDAX-CQSZACIVSA-N 393.390 3.953 30 40 GHEB CCc1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)s2)cc1 6559197 QMDYTQWBLOAMIV-SFHVURJKSA-N 387.534 3.745 30 40 GHEB CC(=O)N[C@H](CC(=O)OCc1cn2ccccc2c1C#N)c1ccc(Cl)cc1 32898902 KSYHJNLUPRSAFV-LJQANCHMSA-N 395.846 3.775 30 40 GHEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 44546842 PGCAATJPBBTBRC-WSDLNYQXSA-N 388.383 3.632 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)cc1 18009599 XLXLAPPQIURPMD-QAPCUYQASA-N 399.468 3.514 30 40 GHEB CN(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(C#N)cn1 40158127 VBSBSUSLLWJPJV-UHFFFAOYSA-N 390.418 3.637 30 40 GHEB C=C(C)COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 1878372 QBDFATXJHXCPJA-RXVVDRJESA-N 392.455 3.820 30 40 GHEB biogenic COc1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 100927842 URJLOIYTXGXOGD-UDWIEESQSA-N 391.265 3.751 30 40 GHEB COc1ccc([C@H]2O[C@]3(C)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@H]3c2ccccc2)cc1 102674833 MSQNXJQXDDDHNZ-KLJZETAQSA-N 398.422 3.818 30 40 GHEB CCOc1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc([N+](=O)[O-])c1O 36005120 NFPJPGWPXVFYGK-IGCPIRJNSA-N 391.252 3.841 30 40 GHEB CCc1n[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 8707609 XKPSWKPINMENHQ-UHFFFAOYSA-N 398.467 3.516 30 40 GHEB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 5787988 QUGUQWNPSSCBRD-KRWDZBQOSA-N 384.819 3.637 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SC[C@H]3CC3(Cl)Cl)nnc12 6983167 ZNAGFALPQOUIAK-SNVBAGLBSA-N 381.288 3.516 30 40 GHEB Cc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 8190474 KRZLDQWZFPIHGX-HNNXBMFYSA-N 397.500 3.619 30 40 GHEB C=CCN1C(=O)c2ccccc2N[C@H]1c1nc2ccccn2c1Br 72312170 OUSPEPYDIQCAMO-QGZVFWFLSA-N 383.249 3.849 30 40 GHEB Cc1ccc(C/C(O)=N/S(=O)(=O)c2cc(Br)ccc2C)cc1 42280883 SEJWMISSUUEDQL-UHFFFAOYSA-N 382.279 3.954 30 40 GHEB CCOc1cc([C@H]2NC(=N)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408731895 QNIZJEQFLCZFKI-OAQYLSRUSA-N 379.460 3.696 30 40 GHEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084902 GWUGBXQTKWOPOH-HKWRFOASSA-N 381.215 3.606 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1cc(C)on1 13003384 BCJLMKQFRCGVOF-SFHVURJKSA-N 394.383 3.676 30 40 GHEB Nc1ccc(CCN2CCCC/C2=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 209007269 LPAZQXGIOLCCTG-QOCHGBHMSA-N 391.924 3.738 30 40 GHEB in-vitro CC[C@H](C)NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[nH]1 31773598 XSVMGHRUEIBGEN-ZDUSSCGKSA-N 398.532 3.613 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)CSc2ncnc3sc4c(c23)CCC4)n1 7824701 CODUDLRJRHTKOI-NSHDSACASA-N 386.527 3.914 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)cc1 4312524 XLXLAPPQIURPMD-YJBOKZPZSA-N 399.468 3.514 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(O)ccc1[N+](=O)[O-] 6618591 FFRGARKXYDLMRD-LPYMAVHISA-N 386.367 3.560 30 40 GHEB COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2nc(C)nn21 8559770 POTOFOVMNLQOIP-RBZFPXEDSA-N 376.416 3.604 30 40 GHEB COC(=O)c1cccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c1C 4675240 DVRLMJYZPKTKIQ-SRZZPIQSSA-N 380.360 3.791 30 40 GHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cc(F)cc(F)c1 18222046 RQLLVSNAMTWVIM-UOWDBTKRSA-N 384.308 3.843 30 40 GHEB N#CC[C@H](NC(=O)Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1 84522252 DVENMLBNUFWIKF-KRWDZBQOSA-N 384.867 3.953 30 40 GHEB CCOc1cccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 19959964 VXTIUQFFTGFXRW-YCRPNKLZSA-N 390.443 3.994 30 40 GHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)c(OC)c1 100514259 OUAOTNJQFNULNJ-OAQYLSRUSA-N 397.471 3.791 30 40 GHEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccco2)sc1C 102861691 RORWUNNAQKBHSI-IBOXJLQUSA-N 380.425 3.979 30 40 GHEB C[C@]12Cc3c(nc(O)c(C#N)c3C#N)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 9043902 RONRYQJFHZPPMI-DTADBRMHSA-N 391.515 3.849 30 40 GHEB CC(=O)OCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926561 LPQPBYBYZDYUHI-WAUHAFJUSA-N 388.504 3.993 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C)o1 5564191 LRXLJJGPXRGRIZ-YDJIHCHBSA-N 396.487 3.742 30 40 GHEB COc1ccc(Nc2nnc(SCC(=O)Nc3cccc(C#N)c3)s2)cc1 4838919 IEWTYDNIVDPASS-UHFFFAOYSA-N 397.485 3.893 30 40 GHEB CNC(=S)N/N=C/c1cn(CCOc2c(C)cccc2C)c2ccccc12 9435192 SUBSYQLTFYRVNP-YDZHTSKRSA-N 380.517 3.765 30 40 GHEB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)c1 409161432 XEHQIKNWKCEAQY-LICLKQGHSA-N 377.425 3.542 30 40 GHEB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O 2312724 DCWQXSCBTYXNME-OVCLIPMQSA-N 396.472 3.966 30 40 GHEB COCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 5660824 WMLOFKAZEWIKDX-NBEBQTRCSA-N 382.441 3.635 30 40 GHEB Cc1cc(Br)cc(/C=N/CCNc2ccc([N+](=O)[O-])cc2)c1O 16269515 IKSAPTLWDJIMSQ-VCHYOVAHSA-N 378.226 3.902 30 40 GHEB C=CCSc1ccccc1NC(=O)CN1CCN(Cc2cccs2)CC1 26300007 YUSKQHJELCYFAE-UHFFFAOYSA-N 387.574 3.783 30 40 GHEB CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795035 ZXOJHURQNJGYEP-APWZRJJASA-N 381.428 3.599 30 40 GHEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SC)nc(=O)c32)c1 18168451 FBDZXOVOGZIYHZ-HNNXBMFYSA-N 397.500 3.701 30 40 GHEB CCCCCCCC/C=C/CCCCCCCC(=O)N=C(C(N)=O)C(N)=O 104119612 DWPKPSSDPOFMQI-MDZDMXLPSA-N 379.545 3.962 30 40 GHEB C=CCOc1ccccc1/C=c1\sc2nc(-c3cccc(Cl)c3)nn2c1=O 2379476 ODSSTWMHTKQMTJ-ATVHPVEESA-N 395.871 3.584 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 4073597 OBTXHSTWEOYBKT-YPFPNKMGSA-N 399.531 3.672 30 40 GHEB biogenic COC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5277675 BVDZPQNWNMZUTI-PXNMLYILSA-N 389.201 3.617 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(c1ccccc1)c1ccccc1 5270119 BHGWYLZSQWKRFK-UHFFFAOYSA-N 385.467 3.702 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(C)(=O)=O)ccc1C 7989713 JEVUXKJVQFGUFO-UHFFFAOYSA-N 383.922 3.942 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2nc(C)nn21 22608802 VBWZTSCFTGAJSS-SPLOXXLWSA-N 390.443 3.994 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(OC)cc1 89439245 LHHJBWDKBUJYIC-MLSMKVKPSA-N 395.484 3.842 30 40 GHEB Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 408533088 JKNTWNICKMAGOW-AWEZNQCLSA-N 389.333 3.615 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(O)c(I)c1 408904212 GNHDQQBWYKFTEO-LZYBPNLTSA-N 382.157 3.964 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Br)cc(OC)c2OC)C(=O)N1CC 408851438 JZTQUEPMRVJVIM-XBLVXMFCSA-N 399.310 3.778 30 40 GHEB Cc1ccc(NC(=O)/C(=N\Nc2ccccc2)Sc2nncn2C)c(C)c1 96191952 ZRZDAYFZNBLIFH-PTGBLXJZSA-N 380.477 3.588 30 40 GHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccncc1 1531203694 FUZCSEKXVPJVNB-NHDPSOOVSA-N 385.265 3.734 30 40 GHEB CCc1noc(C)c1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 12479393 VSAQKWWBQGMYQH-UHFFFAOYSA-N 398.463 3.746 30 40 GHEB Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C#N 2737262 CCADPECSLFVMMW-FNORWQNLSA-N 398.440 3.874 30 40 GHEB Cc1ccc([C@H]2C(C(=O)C3CC3)=C(O)C(=O)N2c2ccc(C(=O)O)cc2)c(C)c1 58306440 GMGWQLOWROJYPR-IBGZPJMESA-N 391.423 3.881 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCC2)cc1 2368374 HOGRCZWRUZHKJR-IBGZPJMESA-N 392.484 3.577 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 19089060 ISMLOQJFUYBSTC-GOSISDBHSA-N 383.444 3.802 30 40 GHEB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 6084701 APHFCAGLHFPTHL-UHFFFAOYSA-N 393.443 3.632 30 40 GHEB CCc1ccc(N2C(=O)[C@H](/C=N/c3ccc(Cl)cc3)C(=O)NC2=S)cc1 4738571 WWNGEZNUXQUYKZ-BTZNOAQDSA-N 385.876 3.669 30 40 GHEB CCOC(=O)/C(=N/Nc1ccccc1OC)C(=O)CSc1ccc(C)cc1 15636968 YCXOJYAMFZRHKM-ZBJSNUHESA-N 386.473 3.696 30 40 GHEB COc1cc(OC)cc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 4451161 CRYWRILZWVNKGC-ZLNRFVROSA-N 399.450 3.694 30 40 GHEB biogenic CCCC(=O)N1CCN(c2oc(/C=C/c3ccc(Cl)cc3)nc2C#N)CC1 36628697 XNNSBGNJYGXWBK-RMKNXTFCSA-N 384.867 3.819 30 40 GHEB O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 5156640 FSWZVJFDNMEEFI-UHFFFAOYSA-O 385.365 3.863 30 40 GHEB N/C(=N\OC(=O)c1cc(Cl)cnc1Cl)c1cccc(C(F)(F)F)c1 4280819 DURAXJMRNRXJOK-UHFFFAOYSA-N 378.137 3.885 30 40 GHEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1OC 12662605 IRIJRWQMPNOACF-JMIUGGIZSA-N 398.411 3.650 30 40 GHEB biogenic COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 100342987 PQZBWMJOIRQIJZ-YDJIHCHBSA-N 386.407 3.717 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2c3ccccc3ccc21 100910112 WSBNGJSWDDYUAT-VXPUYCOJSA-N 377.381 3.732 30 40 GHEB CSc1nc(Oc2ccc(C)c(C)c2)cc(-n2nc(SC)c(C#N)c2N)n1 2182889 ILLLYMIOBLCTQD-UHFFFAOYSA-N 398.517 3.969 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cnccn1 2397643 ZLTAATKHPFKVBO-UHFFFAOYSA-N 394.504 3.775 30 40 GHEB C=C(C)C[C@@H]1N(c2cccc3ccccc23)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 2421545 UNQJGGLNVXXYSR-WNPAHNIUSA-N 375.424 3.546 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1O 28913120 NUPTWAWUBDGGNZ-KRXBUXKQSA-N 380.181 3.902 30 40 GHEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1OC 409378856 SMOQYZBMTVOLTC-JMIUGGIZSA-N 378.812 3.573 30 40 GHEB C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1nc2c(s1)CCCC2 12929693 XZTGUAGAFWZZTL-OAHLLOKOSA-N 399.516 3.686 30 40 GHEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc2ccccc12 4384811 REFRXJLVZLYWFD-KRWDZBQOSA-N 392.418 3.670 30 40 GHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc(Cl)c1Cl 408740771 MIZSAQFNBHLTIP-GXBAXFRPSA-N 392.267 3.760 30 40 GHEB N#CCCn1cc(C(=O)Cn2nnc(-c3cccc(Cl)c3)n2)c2ccccc21 6820857 IRDZHOZMZKMZCV-UHFFFAOYSA-N 390.834 3.745 30 40 GHEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(CC(=O)O)cc2)c1C 20762610 MPUAEEKAPYSFDX-MFKUBSTISA-N 391.471 3.854 30 40 GHEB CC12c3ccccc3C(C=O)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 409336040 QMKVDSIFIPXRSC-OBBBYGQCSA-N 393.442 3.610 30 40 GHEB N#Cc1cc2c(nc1N1CCC[C@@H](c3nnc4n3CCCCC4)C1)CCCC2 95348647 CVSHCZTUSQOTEP-QGZVFWFLSA-N 376.508 3.534 30 40 GHEB Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 408536395 RFPMMBAAICSARC-OAHLLOKOSA-N 389.333 3.615 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(C)s2)C1=O 409052602 VAVAYTJXXYJGKL-PTNGSMBKSA-N 399.493 3.918 30 40 GHEB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OCC#N 211504928 OJGMZFBSCSQYSS-BOPFTXTBSA-N 382.397 3.957 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 225421702 BTUIRPXJVMFMHS-UHFFFAOYSA-N 383.517 3.575 30 40 GHEB C=CCOc1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1 19016098 YYSMFMOPIHBDDI-PGRDOPGGSA-N 376.504 3.903 30 40 GHEB N#CC1(C(=O)N2CCc3sc(COCc4ccncc4)cc3C2)CCCC1 2055772204 HOVPBHWFBPJSQV-UHFFFAOYSA-N 381.501 3.829 30 40 GHEB COc1ccc(OC)c([C@@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)c1 20029516 ODQXXUNDCNEUNK-LBPRGKRZSA-N 394.456 3.550 30 40 GHEB C=CCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c(O)c2ccccc21 100708023 AUPVQGKWPJZXKW-UHFFFAOYSA-N 377.425 3.755 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc2c(C)cccc2s1 32824585 HLGJIENMTWPSJC-UHFFFAOYSA-N 390.472 3.707 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 102491166 AAYSVFJPSMILPT-NHFXJNLRSA-N 389.407 3.916 30 40 GHEB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 21678248 WEUAZNQKMLJVOD-INIZCTEOSA-N 375.428 3.589 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 102568869 SWDLSFDZRQJSTL-LFVOPCPISA-N 381.428 3.623 30 40 GHEB CSc1ccc([C@@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102715608 QQYWKURLGIEHEL-GIYDNNGJSA-N 378.457 3.917 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccccc2OCC)c1C 5020916 SVZTYDQQBQCLLL-UHFFFAOYSA-N 397.504 3.640 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccccc21 4492754 RYTWCIGZBRCGHZ-UHFFFAOYSA-N 380.473 3.912 30 40 GHEB N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 4576895 WJRHWBRCYKFONB-UHFFFAOYSA-N 375.384 3.590 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(OC)c2O)C1=O 4608173 CWJWOFKYEBLZAO-VBKFSLOCSA-N 397.452 3.944 30 40 GHEB N#Cc1nc(-c2ccccc2Cl)oc1N1CCN(C(=O)c2cccs2)CC1 6661590 IWMAJJICFKDNMW-UHFFFAOYSA-N 398.875 3.891 30 40 GHEB COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)Nc2ncnn21 4814162 UFFWEPNRWQMYFV-SPLOXXLWSA-N 390.418 3.842 30 40 GHEB CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(CC(C)(C)CC1=O)N2 18222444 GOFLYOAHXMQRBF-OAHLLOKOSA-N 376.432 3.936 30 40 GHEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(I)cc2)c1 408588989 CNJFVKHQEIHUMQ-CXUHLZMHSA-N 382.157 3.750 30 40 GHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223271130 NJASJFWWPNZEBC-JOCHJYFZSA-N 394.515 3.593 30 40 GHEB C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 13554384 WKCXEVNNOLTSHZ-KRWDZBQOSA-N 395.406 3.641 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1nccs1 85409829 AMSROZUETDWOPI-OAHLLOKOSA-N 398.465 3.996 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4[C@@H](C)C=C(C)C[C@@H]4C)c(O)nc3c2c1 17112523 VJKINILCVSZAGY-ZHVQJHEJSA-N 380.448 3.664 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 102882392 ZADVWQYTKATCOD-GHNGSUTGSA-N 385.847 3.717 30 40 GHEB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3sccc3C#N)n2n1 8704156 OBWVDXHKBDGPSY-SNVBAGLBSA-N 394.485 3.638 30 40 GHEB COc1ccccc1/C=C1\Oc2c(ccc3c2CN(C[C@H]2CCCO2)CO3)C1=O 13691786 REIFKPCIKBPVCS-NBZOHKLQSA-N 393.439 3.642 30 40 GHEB N#Cc1nnc2ccccc2c1N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 95993068 KVKYNEUFCVMKPI-INIZCTEOSA-N 381.443 3.671 30 40 GHEB C[C@H](C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccs2)ccc1=O 56905919 BFVSMYAMXAXOLE-LLVKDONJSA-N 384.848 3.697 30 40 GHEB C=CCc1cc(C(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)ccc1OC 218659576 AJOCOKHLOPSKMD-IBGZPJMESA-N 387.501 3.708 30 40 GHEB O=C(ON1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 138834245 PWEJQMGXLXIUFP-UHFFFAOYSA-N 396.742 3.769 30 40 GHEB C=CCOc1c(CN2CCC(c3n[nH]c4ncccc34)CC2)cccc1OC 12143437 OHKGERPFWNNVIZ-UHFFFAOYSA-N 378.476 3.911 30 40 GHEB Cc1nc(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)[nH]c1Cc1ccccc1 12372027 SNOAOOFGQONNTA-UHFFFAOYSA-N 379.489 3.856 30 40 GHEB COc1ccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)cc1 871420 VORLWVPNOAZKBT-UHFFFAOYSA-N 383.473 3.815 30 40 GHEB C=CCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 1575029 JWJSTOFHGUFXFO-UHFFFAOYSA-N 376.432 3.825 30 40 GHEB C=C(C)CN(CC)C(=O)CSc1nnc(Nc2ccccc2OC)s1 6035783 QNOBUVQTZCLHRI-UHFFFAOYSA-N 378.523 3.807 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)NCc2ccco2)nnc1-c1ccccc1OC 6147842 DMFLDRACBINLQN-CQSZACIVSA-N 398.488 3.530 30 40 GHEB CC(C)Cn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O 57426283 REFMQWWEABVOEA-UHFFFAOYSA-N 398.513 3.716 30 40 GHEB O=C1C=CC(=N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C=C1 26787050 DMOXGZVZUMQMTG-ZBJSNUHESA-N 384.844 3.612 30 40 GHEB COc1ccc(Cl)cc1/C=C/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48507561 BWXZVWLLOBHZOT-RMKNXTFCSA-N 390.848 3.720 30 40 GHEB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)cc1C 409169593 RAFUILHYPQLNMV-VCHYOVAHSA-N 391.452 3.850 30 40 GHEB CN1C(=O)N/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 409191899 PVTCEHYXAFLQMN-UDWIEESQSA-N 383.407 3.813 30 40 GHEB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 7824596 VXJGCJZQUFPKHH-SFHVURJKSA-N 388.471 3.504 30 40 GHEB O=C(CCCC(=O)OC(F)(F)C(F)(F)C(F)F)Nc1ccccc1F 32581189 DHPCXRZEEVHXAH-UHFFFAOYSA-N 375.240 3.971 30 40 GHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 5444139 JEKGHTQOOIBEPK-FQEVSTJZSA-N 378.472 3.987 30 40 GHEB N#Cc1c(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cn2ccccc12 14897460 MBEVWLWMUWYKLZ-UHFFFAOYSA-N 398.344 3.923 30 40 GHEB CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 17109875 NUPVWGSCBGFBDF-VLGSPTGOSA-N 381.295 3.850 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 2796189 YDAYGAKMLOCSQO-HXUWFJFHSA-N 399.487 3.958 30 40 GHEB NC(=O)[C@]1(c2nc(-c3ccc(Br)cc3)cs2)OC12CCCCC2 12250614 QQUODICXJJQMFA-QGZVFWFLSA-N 393.306 3.986 30 40 GHEB Cc1c(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)sc2cccc(F)c12 10683124 KNRUMNPFGXCBQQ-HXPMCKFVSA-N 376.453 3.949 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)NCC2(c3ccccc3)CCOCC2)n1 48345890 IRHJRNYGBAIDID-UHFFFAOYSA-N 395.528 3.527 30 40 GHEB COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)cc(C)c3C2=O)cc1OC 6662909 XRFGHELSPKZYQU-ZDLGFXPLSA-N 383.400 3.689 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Cl 408805140 ISWZRBBSPOVFGN-LFIBNONCSA-N 396.830 3.880 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 9691918 XGCLIBNMKUKUTQ-PEBXRYMYSA-N 381.476 3.504 30 40 GHEB N#CCCCCS(=O)(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 95465301 MIVFQJMSEWENME-UHFFFAOYSA-N 390.336 3.529 30 40 GHEB N#CCn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 408931883 RNYYYZRALCDAAC-WQRHYEAKSA-N 390.830 3.911 30 40 GHEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218385407 FECUZVSYGSPPAZ-CVEARBPZSA-N 377.252 3.967 30 40 GHEB Cc1cccc(CS(=O)(=O)N2CCC(COCc3ccc(C#N)cc3)CC2)c1 77191730 VWHIIZCEVRIIQW-UHFFFAOYSA-N 398.528 3.625 30 40 GHEB N#Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 98211372 LMAQNMXCEJMRSS-UHFFFAOYSA-N 387.374 3.855 30 40 GHEB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 5094046 NRVAHADERFUSBS-AWEZNQCLSA-N 378.457 3.872 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19498932 VQPVWJVQXHPGRY-HXUWFJFHSA-N 394.490 3.918 30 40 GHEB CCCCCCCCSC[C@@H](O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2090618 XVCNYYCPAKHFJJ-AABGKKOBSA-N 392.609 3.722 30 40 GHEB biogenic N#Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1Cl 2635439 MYSIADKTSOOCOM-UHFFFAOYSA-N 390.148 3.684 30 40 GHEB N#Cc1cnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc1N 7045532 YPFWSJOODLZSIC-UHFFFAOYSA-N 388.667 3.621 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)o1 102805354 NMPAFJMZCHHOQU-WOOAAIBNSA-N 392.386 3.744 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)c1 5800500 HOBWIUAGGXDUHQ-LJQANCHMSA-N 390.395 3.775 30 40 GHEB N#C[C@]1(C=O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218589074 NDPOGSSNHYPNBQ-IKGGRYGDSA-N 380.252 3.642 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1cccc(Cl)c1 36559238 UEDOCKIYFPUVCU-HNNXBMFYSA-N 394.862 3.939 30 40 GHEB C=CCN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 224665572 XJMNOBJUSOCZDB-UHFFFAOYSA-N 399.253 3.673 30 40 GHEB C/C=C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@H](C)O)C1=O 253390443 AIFXMSDWXBFQTF-NDHYSIIQSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro N#Cc1ccc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C(F)(F)F 609559970 MRMBZIVDBMEJOT-UHFFFAOYSA-N 387.365 3.641 30 40 GHEB N#Cc1sc2nc3ccccc3n2c1/N=C/N1CCN(c2ccccc2)CC1 1016623 LMXGEROTLMMFAA-HZHRSRAPSA-N 386.484 3.903 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cc1 12345083 NIRVHYAZVWONFP-VXMMSVGHSA-N 377.484 3.722 30 40 GHEB CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl 26676316 JPVNWIKWBOATKU-UHFFFAOYSA-N 391.880 3.541 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2)cc1 5409042 CCIDWYOPTCCWDO-FZKQIMNGSA-N 385.847 3.608 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 20188614 QEVQEMAPMJNXQT-NRFANRHFSA-N 392.499 3.997 30 40 GHEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC1CCCC1 3402781 JAGDPEVLZHILCG-UHFFFAOYSA-N 386.521 3.502 30 40 GHEB N#Cc1cccnc1NCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 47252516 KAZGQORCPFUOBQ-UHFFFAOYSA-N 397.891 3.501 30 40 GHEB COc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1 102532093 NOOQLZDJJVOQJU-NHFXJNLRSA-N 389.407 3.910 30 40 GHEB CCCCCCCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 2233456 PFTYUEOCDHGTSI-UHFFFAOYSA-N 384.480 3.940 30 40 GHEB N#Cc1c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)sc2c1CCCCCC2 84593223 IYDCEYMOHHWGOR-UHFFFAOYSA-N 392.484 3.696 30 40 GHEB COc1cc(/C=N\NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 33735541 YFMIVLUTVPHAPD-JCMHNJIXSA-N 396.468 3.587 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCC[C@H](C(=O)N4CCC(C)CC4)C3)o2)cc1 72238708 QNJVSQTUBBJANM-IBGZPJMESA-N 392.503 3.997 30 40 GHEB CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OC(F)F)c(OC)c1 36611396 WZLJONDYMVTSSP-IFRROFPPSA-N 396.341 3.901 30 40 GHEB N#Cc1ccc(CCNC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1 596675983 RCPKHNCNILTNGT-GOSISDBHSA-N 391.393 3.542 30 40 GHEB C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 8654655 AAZMTRDZSYCAIM-GFCCVEGCSA-N 394.431 3.567 30 40 GHEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 41258054 HMBYXUMFZUEWQB-DSQUVOCVSA-N 381.495 3.751 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(O)c(OC)c2)C1=O 998673 HYWJEEZWCUIWJN-SFQUDFHCSA-N 397.452 3.944 30 40 GHEB C[C@@H](NC(=O)CSc1nc(N)c(C#N)cc1C#N)c1cccc2ccccc12 19182189 ZBNIJIRRJHJOCN-CYBMUJFWSA-N 387.468 3.530 30 40 GHEB COc1c(Br)cc(Br)cc1/C=C1\C(=O)ON=C1C 96193634 ITPNWHCIFOWONF-WTKPLQERSA-N 375.016 3.536 30 40 GHEB CCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 3127177 LXUCBAUKSTZHGO-GIJQJNRQSA-N 393.193 3.990 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1OC 12345257 IUNVXCFPEZKXBQ-SVGJNIJCSA-N 395.474 3.861 30 40 GHEB C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccc1C 14081928 IWCKREBCTRIAJS-UHFFFAOYSA-N 392.528 3.891 30 40 GHEB FC(F)Oc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 5446189 GHNGQPJJHKLFLN-YSURURNPSA-N 380.358 3.863 30 40 GHEB Cc1n[nH]c(C)c1CC(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133328 DGMIEZJIQQEUEC-UHFFFAOYSA-N 386.499 3.988 30 40 GHEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5981606 DEYZAFXODGEBNB-PXNMLYILSA-N 389.201 3.617 30 40 GHEB COCCC/N=C/c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 104266802 KVQNMRZSCXMQEI-AWQFTUOYSA-N 384.383 3.662 30 40 GHEB CC(=O)Oc1ccc(/C(C)=N\N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 20191095 BRTGXFXZCNIBBI-KQWNVCNZSA-N 385.895 3.807 30 40 GHEB COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\C(C)C)N(C(C)C)C1=O 103877181 WCCMLEBYPQIAFD-ZJYNUGOYSA-N 397.928 3.794 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccccc4)CC3)c2C#N)C1 35610487 TXQJHJLVIVTULJ-INIZCTEOSA-N 394.544 3.505 30 40 GHEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cs1 10133902 RCUNWYNJDSJWRL-VIFPVBQESA-N 383.832 3.718 30 40 GHEB N#Cc1cccnc1Oc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2O1 48300158 WUJCLPZVGVDPSK-QGZVFWFLSA-N 386.411 3.871 30 40 GHEB C=CCn1c(SCC(=O)NC2CCCCC2)nc2sc(C)c(C)c2c1=O 3470696 HZIJCFDPFPERLL-UHFFFAOYSA-N 391.562 3.802 30 40 GHEB COC(=O)C(C(=O)CSc1ccc(F)cc1F)=C1Nc2ccccc2N1 19298566 LZOONWCPWSJKCM-UHFFFAOYSA-N 376.384 3.548 30 40 GHEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 6295787 MMJXGHVQEHNRCG-UHFFFAOYSA-N 385.272 3.710 30 40 GHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 224904889 QJALZGFLGUSOOX-UHFFFAOYSA-N 386.473 3.591 30 40 GHEB COc1ccc(C(=O)O/N=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 1211678 KRAMDWRVYBZBEI-ZBJSNUHESA-N 377.356 3.608 30 40 GHEB Cc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc3c(c2)OCCO3)cc1 5000358 VZWNBNNMADZCQP-UHFFFAOYSA-N 388.427 3.796 30 40 GHEB CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1C 100038559 HSNFHLOKLQVCQD-UHFFFAOYSA-N 388.340 3.967 30 40 GHEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(OC)cc2)CC1=O 4910261 YQDJIASKNIIBGC-QGZVFWFLSA-N 391.471 3.626 30 40 GHEB O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 12375817 CXRREZDMSVJLFB-LCUIJRPUSA-N 396.494 3.934 30 40 GHEB COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)c1 849406 UMGJMMBFYBZLCT-NKWDDMGQSA-N 397.500 3.902 30 40 GHEB CSc1ncc(C(=O)OCCOc2ccc(C#N)cc2)n1-c1ccccc1 12556593 GRONQFJSYXPBQJ-UHFFFAOYSA-N 379.441 3.702 30 40 GHEB N#Cc1ccc(COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 5198905 QLPSMIHEBZNLOG-UHFFFAOYSA-N 396.402 3.711 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 408803533 QDXUFARBAZCGDQ-RVDMUPIBSA-N 382.803 3.571 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(OCc2ccc(F)cc2)c1 409407644 VBOREAFRRBEYKB-IDPBPBMLSA-N 390.414 3.546 30 40 GHEB Cc1ccc(N2CN(Cc3cccc(C#N)c3)S(=O)(=O)c3cccnc32)cc1 49411482 IPUOOVJOAOWEOA-UHFFFAOYSA-N 390.468 3.562 30 40 GHEB CSc1ncc(C(=O)OCCOc2ccc(C#N)cc2)n1-c1ccc(F)cc1 15126384 PLXVBGUJTFNMNQ-UHFFFAOYSA-N 397.431 3.841 30 40 GHEB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 205710021 SVVWWMALTDUXMP-RQZCQDPDSA-N 396.424 3.806 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C(=O)NC1=S 208224053 NOJXCJJHMRZOSS-FMNVXAMXSA-N 397.544 3.530 30 40 GHEB N#Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2)cc1 2622505 SZZZDZIPJXFWMH-JOCHJYFZSA-N 381.435 3.764 30 40 GHEB CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 60381083 XTQRPZHSNVASGF-UHFFFAOYSA-N 395.893 3.786 30 40 GHEB COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c(OC)c1 62001283 XCDXSZASSBJQJT-AWQFTUOYSA-N 393.439 3.943 30 40 GHEB biogenic Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 8202781 AFFFDTULNLVEAH-UHFFFAOYSA-N 398.894 3.646 30 40 GHEB CCn1c(N/N=C/c2cc3c(cc2Br)OCO3)nc2ccccc21 408692685 SDDQUWIKMOGDTL-DJKKODMXSA-N 387.237 3.993 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@H]2C)n1 260708130 DEJZPDZYTVBBLP-MRXNPFEDSA-N 388.585 3.708 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](C)CC2=O)N1 5206899 VUYMYSMXORJRCB-ZSEKCTLFSA-N 389.455 3.640 30 40 GHEB N#Cc1ccccc1OCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 59931914 ALXMQUJNQGSHDF-HXUWFJFHSA-N 378.476 3.613 30 40 GHEB CCN(CC)C(=O)c1sc(NC(=O)Cc2ccc(OC)cc2)c(C#N)c1C 871491 XOIBCLZPQYTWIX-UHFFFAOYSA-N 385.489 3.600 30 40 GHEB O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc(Cl)c2)/C1=C(\O)c1ccccc1 102498142 ZKNXCFAOEQFUFO-HVESIFNPSA-N 391.814 3.756 30 40 GHEB N#Cc1ccccc1COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21841613 FFAHVASQDHISFG-UHFFFAOYSA-N 389.377 3.932 30 40 GHEB CCCCCCCCCC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1O 100925774 USSZNPXTIQYLEP-UHFFFAOYSA-N 391.508 3.953 30 40 GHEB COC(=O)c1sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C#N)c1C 998130 SODNFBVNZVZUHD-SNVBAGLBSA-N 378.837 3.774 30 40 GHEB O/C(COc1ccc2ccccc2c1)=N\c1nc(CN2CCOCC2)cs1 23312481 KOXZNBYOVIUPHJ-UHFFFAOYSA-N 383.473 3.796 30 40 GHEB CC(=O)O[C@H]1C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 118928810 GBEMDSZXTFIZDP-MHYDGWTMSA-N 388.504 3.992 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc(OC)c(O)cc2Br)SC1=S 59192437 APNMXVDDYIPKBF-WUXMJOGZSA-N 386.292 3.551 30 40 GHEB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 175487251 CZMXASCMGYURCC-CYBMUJFWSA-N 383.473 3.752 30 40 GHEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 5860917 KUXFIAMHVIWREK-HNNXBMFYSA-N 396.516 3.866 30 40 GHEB CCc1nc2ccccc2c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1C 7737253 DDBOSWZIGOTVDI-OAHLLOKOSA-N 393.468 3.904 30 40 GHEB Cc1cc(C)nc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)n1 7778406 VUMQJIHGWMEBRV-HYARGMPZSA-N 375.480 3.634 30 40 GHEB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3ccccc3F)o2)cc1 408877154 TXTMXPGDJJJVKX-FSJBWODESA-N 379.391 3.733 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895051 GCWFOGSXEPUYCD-UHFFFAOYSA-N 394.880 3.688 30 40 GHEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@]34O[C@H]4C[C@@]21C 1569985946 FNGSLGMFTHFCNV-SBTZIJSASA-N 398.499 3.563 30 40 GHEB Cc1ccccc1[C@@H](C)NC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N 17188182 SVTWSPUFNJTFSV-OAHLLOKOSA-N 391.427 3.593 30 40 GHEB C#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cccc(Cl)c21 100910196 UNMVVCPIWZRNGN-XDOYNYLZSA-N 394.839 3.837 30 40 GHEB CCOC(=O)/C(=C\NC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 100032731 UVZZVPKKLWJKFR-NTMALXAHSA-N 389.235 3.919 30 40 GHEB COc1ccc(C(C)=O)cc1CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 21040980 WUXXJRSTKQCFMN-LPYMAVHISA-N 397.431 3.957 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 102491174 AAYSVFJPSMILPT-YDJIHCHBSA-N 389.407 3.916 30 40 GHEB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccc(C#N)cc1 11371623 LQDPAAVXWCIAMQ-AWEZNQCLSA-N 396.520 3.594 30 40 GHEB CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C)cc1Br 12951106 GCSWYJYHLBNZEQ-UHFFFAOYSA-N 396.262 3.796 30 40 GHEB CN(CCCc1n[nH]c(N)c1C#N)c1nc(-c2cccs2)nc2ccccc12 6607964 AFUKQGJPMCEGTJ-UHFFFAOYSA-N 389.488 3.604 30 40 GHEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218469392 YOKFVECABJTTSG-ZOBUZTSGSA-N 396.251 3.528 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2ccsc2c1=O 9690769 WOTNJUKLUCBIPJ-UHFFFAOYSA-N 375.450 3.514 30 40 GHEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/CCCCO)ccc12 9943075 FXZJFGJHPBMCAW-KEBDBYFISA-N 396.896 3.881 30 40 GHEB COc1cc2c(cc1/C=C1\S/C(=N/c3ccc(C)cc3)N(C)C1=O)OCO2 409052483 UAWWTMXQMWPWNB-FCQQVYGVSA-N 382.441 3.966 30 40 GHEB C#CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OCC 46192331 JPBKUIQWBBQNGE-KGENOOAVSA-N 378.457 3.901 30 40 GHEB N#CCOc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 1116141092 XTERVZOYYWHRIS-KRWDZBQOSA-N 398.850 3.559 30 40 GHEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NC[C@H]4CCCO4)o3)o2)cc1 12418962 NDGQZBCIQIZNGE-MRXNPFEDSA-N 395.415 3.985 30 40 GHEB CCCCCCCCNS(=O)(=O)c1ccc(I)cc1 226855181 JVPNXSQAAIJNIM-UHFFFAOYSA-N 395.306 3.930 30 40 GHEB Cc1ccc(/N=C(\N)S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1C 100041342 MZWJWQZAXGVCMD-INIZCTEOSA-N 387.892 3.968 30 40 GHEB CC/N=c1/scc(-c2ccc(OC)cc2OC)n1/N=C/c1ccc(C#N)cc1 105367560 DRFMBDWQUNRBNC-BXWSFNFDSA-N 392.484 3.908 30 40 GHEB COc1ccc(CN/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 20195871 BRQLGKJTICKICF-LPYMAVHISA-N 381.388 3.996 30 40 GHEB O/N=C1/C[C@@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@@H]2CO[C@@H]1O2 101068076 ARSOMLNPDAIQKS-QGOFKVJUSA-N 379.388 3.517 30 40 GHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100230488 BXROBWWXAGKEMJ-CUEIJVFDSA-N 386.451 3.626 30 40 GHEB N#C[C@@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1 2302709 LVAGGXOEXJIDEF-LJQANCHMSA-N 399.498 3.586 30 40 GHEB aggregator CCN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1 2421266 CKVCZLKVWCAEAR-UHFFFAOYSA-N 388.471 3.934 30 40 GHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1ncnc1N2 18222037 YGWUEIKJBWTKOE-RNODOKPDSA-N 378.382 3.972 30 40 GHEB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)coc2c1 6929534 BTEIDOUZXIAVQK-UHFFFAOYSA-N 398.802 3.691 30 40 GHEB C[C@H](OC(=O)c1ccc(F)cc1Br)C(=O)Nc1cccc(C#N)c1 7722057 KJUHBHUCGNAOGG-JTQLQIEISA-N 391.196 3.644 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccccc1 409048737 SYHVPGHUCVGSSF-QTXXDPQGSA-N 378.431 3.913 30 40 GHEB C=CCN1CCN(C(=O)CC(C)C)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351857 IYTUPUJXZPUUEL-QFIPXVFZSA-N 391.515 3.563 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC)cc3OC)C2=O)s1 138401980 PIBSOWQVCVKPFK-IWFHXNARSA-N 375.475 3.536 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc5c(c4)OCO5)[C@H]3C[C@H]12 82051276 SGMJXGDUGJLFPJ-QSKXHXCFSA-N 383.488 3.819 30 40 GHEB COc1ccc([C@H]2C(C(C)=O)=C(O)[C@@](O)(CC(C)=O)N2c2ccc(C)cc2)cc1 221808175 DUFCKHOZQAMOGV-GMAHTHKFSA-N 395.455 3.634 30 40 GHEB C=C[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 1153488819 IXFAQKIWHMFTSM-HNNXBMFYSA-N 375.222 3.943 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C#N)C1 4275242 ZIWVSWJHCPCADY-VOTSOKGWSA-N 385.876 3.830 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1Cl)c1ccccc1 18210321 VOMMFMLTQUMMTK-QGZVFWFLSA-N 391.814 3.913 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 102515799 XKTJEZGZFFDHEK-SELCWUDQSA-N 380.400 3.817 30 40 GHEB C=C(C)COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1 8570677 SQBUKQRJKFUWGD-UHFFFAOYSA-N 385.416 3.698 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccc(O)cc1 12378002 LZHKCXZDSVDBLZ-UMWYYCSLSA-N 382.441 3.896 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 409089380 MFOBUQPPGVQPJX-QEIJBYQBSA-N 398.462 3.653 30 40 GHEB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(C#N)cc2)CC(=O)N3)c1 49545084 KVAUELZZRUGRFN-QGZVFWFLSA-N 387.395 3.530 30 40 GHEB CC(C)(C)n1nnc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1 598816142 XQQCYDXEMHXALU-UHFFFAOYSA-N 394.866 3.800 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(-c2ccoc2)cs1 1775969918 RSCZTIMKOJESLS-UHFFFAOYSA-N 385.832 3.788 30 40 GHEB COc1ccc(CNC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 884788 BXMZODDMPYZYTR-UHFFFAOYSA-N 377.469 3.832 30 40 GHEB C=C(C)COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 1878376 QBDFATXJHXCPJA-NQIIRXRSSA-N 392.455 3.820 30 40 GHEB biogenic C=CCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2290573 UMUKVRNNNPRMEZ-UHFFFAOYSA-N 377.835 3.725 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 4173429 RVAVHAIEYDALGR-UHFFFAOYSA-N 396.512 3.642 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 13003333 LTCVPXOIKNBJSF-FQEVSTJZSA-N 395.455 3.618 30 40 GHEB CCOC(=O)c1cc(Cl)c(OCC(=O)N[C@@](C)(C#N)C(C)C)c(Cl)c1 14242508 JVKATGOBYRAYJF-KRWDZBQOSA-N 387.263 3.603 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccc2Cl)cc1 19138567 WHNVHCDOJNDFRZ-UGSOOPFHSA-N 385.847 3.608 30 40 GHEB N#Cc1nc(-c2cccs2)oc1NC[C@H](c1cccs1)N1CCOCC1 27794072 SUUHCLVERVDYIK-CQSZACIVSA-N 386.502 3.822 30 40 GHEB CNC(=O)COc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)cc1OC 40139793 UYBWJNFFAFTPBZ-CSKARUKUSA-N 379.412 3.771 30 40 GHEB C#CCOc1c(CC=C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OCC 408908376 BYJCEBJKPVROFJ-XKZIYDEJSA-N 380.404 3.575 30 40 GHEB C/N=C1/S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C(=O)N1C 408929605 LMAHPWNOJWJNDB-HZMZRVLWSA-N 386.448 3.945 30 40 GHEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1NC(=O)c1ccccc1 6961474 SRNYMYRZIIIDMK-HMAPJEAMSA-N 391.500 3.809 30 40 GHEB C=CCN(C(=O)c1nn(CC)c(=O)c2ccccc12)c1nc2c(s1)CCCC2 8267864 KMBAZSUJRZIMHL-UHFFFAOYSA-N 394.500 3.585 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1 102803740 MPNFVUVLNTZNDT-UYTDBDHRSA-N 395.415 3.612 30 40 GHEB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)/C(=N/c2ccc(C)c(C)c2)S1 849258 IDSQYDJSSDZXIP-ZREAOVPFSA-N 397.500 3.902 30 40 GHEB C=CCn1c(SCCC)nc2ccc(I)cc2c1=O 2219083 UCOUOFJFVSUEAB-UHFFFAOYSA-N 386.258 3.689 30 40 GHEB C=CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2nc(O)oc2c1 27914963 XKNHGPNCLGWIGK-UHFFFAOYSA-N 378.837 3.564 30 40 GHEB COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4 5347592 ANXYUEIVUDRXPP-LSHDLFTRSA-N 393.472 3.777 30 40 GHEB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C#N)c(C)n1-c1ccc(F)cc1 4835421 GDXJKCDEKBWSPR-UHFFFAOYSA-N 391.402 3.900 30 40 GHEB CCOc1ccc2nc(NCCNC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 35311788 QUFJOHPNAHUAHB-UHFFFAOYSA-N 393.422 3.878 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1OC 5408717 AOOLTRUXWPOPRH-QGZVFWFLSA-N 387.819 3.565 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@H](C)CC2=O)N1 5433031 WDMDPAHLJCZPAM-FKIZINRSSA-N 379.485 3.996 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 5691042 IMOZVVRFTGLEME-YJBOKZPZSA-N 383.469 3.814 30 40 GHEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 32905245 BDZXGZYQBXBJCP-KRWDZBQOSA-N 390.464 3.728 30 40 GHEB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 18197880 FPBSBFFSDHVHES-APPDUMDISA-N 381.823 3.522 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C)Sc4ccccc43)cc2C1=O 17525555 OZFHEXPWGJTKAJ-AWEZNQCLSA-N 392.480 4.000 30 40 GHEB C[C@@H](NC(=O)c1sc2nc(N)c(C#N)cc2c1N)C12CC3CC(CC(C3)C1)C2 19852184 TVFBVHJTJGGRQJ-MTJJJMOGSA-N 395.532 3.667 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 6612176 VZUPOPIAWIXLOV-UHFFFAOYSA-N 384.391 3.978 30 40 GHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7709670 DSLKQFRHYVDTRT-UHFFFAOYSA-N 392.502 3.733 30 40 GHEB CCOc1cccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 95367737 ORTOIPSXIAMCOV-UHFFFAOYSA-N 398.362 3.669 30 40 GHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218406911 UBBKURRLBHUXDA-GBESFXJTSA-N 375.877 3.826 30 40 GHEB Cc1cccc(Cn2c(C#N)cc(N)c2N2CCN(Cc3ccccc3)CC2)c1 225872095 CYXLBDJHZVCZQY-UHFFFAOYSA-N 385.515 3.621 30 40 GHEB N#Cc1c(Cc2ccc(F)cc2)nn(Cc2ccc(Br)cc2)c1N 225843465 PTBLWMBDMHAVJL-UHFFFAOYSA-N 385.240 3.878 30 40 GHEB CN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 32642806 WOESGYXHXBTXRM-UHFFFAOYSA-N 376.416 3.686 30 40 GHEB CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1 4275201 WTIWWSWUZSFGDR-UHFFFAOYSA-N 397.500 3.956 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1 40112199 IGIHCUKTLCMGIO-ZDUSSCGKSA-N 395.894 3.551 30 40 GHEB C#CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCc2ccccc21 32935648 UTUYSILQVVKVPX-OAQYLSRUSA-N 398.453 3.569 30 40 GHEB CCNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 6497300 DJRIUNPOSUCKHR-RGVLZGJSSA-N 392.322 3.846 30 40 GHEB C=CCc1cc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc(OC)c1OC 26863656 JDIXETAXUYSYIB-CQSZACIVSA-N 385.460 3.941 30 40 GHEB Cc1nc(NC(=O)c2ccc(C#N)cc2)sc1Cc1ccc2c(c1)OCO2 12734724 NLDODFXCCZPKAC-UHFFFAOYSA-N 377.425 3.895 30 40 GHEB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 28764551 QLGUEOMATZLHSZ-GFCCVEGCSA-N 395.513 3.808 30 40 GHEB CCOc1ccc(C[C@@H]2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)cc1 12843732 MYCUCHWPSKVSSI-XNQWGTPPSA-N 385.464 3.779 30 40 GHEB CN1/C(=C\C(=O)CN2CCN(c3ccc(F)cc3)CC2)C(C)(C)c2ccccc21 18183233 YHTSSUFCMLSVTM-KQWNVCNZSA-N 393.506 3.828 30 40 GHEB COc1ccc2oc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c(C)c2c1 4319202 HMHMGUJDLRFZGI-UHFFFAOYSA-N 392.411 3.854 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 17180660 FKQGQFISLVSVGU-HXUWFJFHSA-N 395.455 3.618 30 40 GHEB CCc1nnc2n1N(C(C)=O)C(c1ccc(C(C)(C)C)cc1)=C(C(C)=O)S2 4518329 FBZLQMAYHTZPHU-UHFFFAOYSA-N 384.505 3.686 30 40 GHEB N#CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 9549288 PNTMEQVPWICIQN-JOCHJYFZSA-N 398.462 3.613 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1C[C@H]31 222249466 BNGCXIRZEOVYLM-MOJKJTTESA-N 392.842 3.987 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 9437963 LRQFTQCVMLBVGU-UHFFFAOYSA-N 382.750 3.839 30 40 GHEB C=CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(Br)s1 23762161 RKHBBFLKVDXGMT-UHFFFAOYSA-N 390.306 3.935 30 40 GHEB COc1ccc(CCNC(C)=C2C(=O)CC(c3ccccc3)CC2=O)cc1OC 102969738 DAELNAIKXXJUIJ-UHFFFAOYSA-N 393.483 3.826 30 40 GHEB Cc1ccc(N2CCOCC2)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 102430932 NFTPTLVQPJUVTQ-RGVLZGJSSA-N 375.812 3.849 30 40 GHEB CCNC(=S)N/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 107830017 AWCIAMQTHOAMIL-GRSHGNNSSA-N 379.327 3.675 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccoc1C 3323124 IVNGVHZJCDHGOL-UHFFFAOYSA-N 396.472 3.966 30 40 GHEB CN(C)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 13728020 XNUGOUVJJRITKE-UHFFFAOYSA-N 376.485 3.593 30 40 GHEB C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 9419916 SDDQGOVAIPDBAV-NUEDXCKTSA-N 389.201 3.917 30 40 GHEB C#CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1CC=C 408821481 HZQDZUDZALIONZ-UVTDQMKNSA-N 392.274 3.856 30 40 GHEB C=CCc1cc(/C=N\c2cccc(C(=O)OCC)c2)cc(OC)c1OCC(=O)O 408854351 CZIVAXDUDVIDNY-QRVIBDJDSA-N 397.427 3.814 30 40 GHEB Cc1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1[N+](=O)[O-] 408853416 OPKHDXFPJUPZBZ-ZDLGFXPLSA-N 394.225 3.846 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 36883766 IOWYESDIZWHBJY-KUHUBIRLSA-N 394.862 3.618 30 40 GHEB COc1ccc(-c2noc([C@@H](C)NCc3ccc(C#N)cc3)c2C(=O)O)cc1 96297093 MTEITAQIVAZPPA-CYBMUJFWSA-N 377.400 3.771 30 40 GHEB biogenic,in-vitro CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 5444132 NFGMZIFGYGHBEY-GOSISDBHSA-N 380.400 3.829 30 40 GHEB CCNC(=S)N/N=C/c1ccc(OCc2cccc(F)c2)c(OCC)c1 6205750 QDUJWXAIBQNSAJ-WSDLNYQXSA-N 375.469 3.621 30 40 GHEB N#CCN(C(=O)COC(=O)c1ccccc1SC(F)F)c1ccccc1 32884902 BPHLWZHLHZDFFT-UHFFFAOYSA-N 376.384 3.715 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102641871 VMZFGBJOFWJYEB-QVRGASTFSA-N 383.469 3.657 30 40 GHEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59679006 BGLBMSOBOQTFLP-VXLYETTFSA-N 393.237 3.636 30 40 GHEB CCOc1cc(/C=C2/SC(Nc3ccccc3)=C(C(=O)OC)C2=O)ccc1O 1138587 ROLUZCKYOMZRGU-SFQUDFHCSA-N 397.452 3.944 30 40 GHEB O=c1c(/C=N/c2cccc(F)c2)c(C(F)(F)F)[nH]n1-c1ccc([N+](=O)[O-])cc1 105370338 XVZGCCDPOZSENL-LSFURLLWSA-N 394.284 3.982 30 40 GHEB CCCCSc1nnc(C(F)F)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 13961092 XZNVLYVDDPRNCT-CNHKJKLMSA-N 399.379 3.627 30 40 GHEB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1CCC#N 5267113 OUSOSQCEPHXFKN-UHFFFAOYSA-N 380.473 3.998 30 40 GHEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 5860772 IKVYQRNKBQWKEF-OAHLLOKOSA-N 396.516 3.866 30 40 GHEB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1c[nH]c2ccccc12 9328562 IQRXYVCHHGASTH-WSDLNYQXSA-N 385.456 3.987 30 40 GHEB C[C@@H](/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2)n1cnc2ccccc21 95461493 GITLRSRLCOBFSY-AWEZNQCLSA-N 383.473 3.822 30 40 GHEB COc1ccc([C@@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)cc1OC 20029513 BLVUNBOAMWURCG-NSHDSACASA-N 394.456 3.550 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 102577780 SGKBXOFVJVRCPX-GOSISDBHSA-N 375.403 3.869 30 40 GHEB C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC)C2=O)cc1OC 4694843 FCKIJSXJTYTZDN-RIYZIHGNSA-N 396.262 3.526 30 40 GHEB N#C[C@H](C(=O)CCC(=O)NCCc1ccccc1)c1nc2ccccc2s1 6574992 DDILFQVJQVUPOH-MRXNPFEDSA-N 377.469 3.612 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1cccs1 625949 ARUASAPCMDUTAY-IAQYHMDHSA-N 375.471 3.567 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)nc1 25281864 VSBZCOZUTSLLLE-UHFFFAOYSA-N 389.484 3.932 30 40 GHEB N#C[C@H](c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cccs1 2235510 OFYNWEUMTWLEOG-MRXNPFEDSA-N 398.513 3.720 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 3367398 IPAWQGQRNSYAMJ-LJQANCHMSA-N 379.888 3.950 30 40 GHEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O 4385956 ILXGMNNCLLJBNW-GOSISDBHSA-N 375.472 3.926 30 40 GHEB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 5452213 YJBLHJYIROHWMQ-UHFFFAOYSA-N 390.468 3.605 30 40 GHEB CCN(CC)C(=O)c1sc(NC(=O)CCc2ccc(OC)cc2)c(C#N)c1C 5470640 LVSGHIMGRHNSKV-UHFFFAOYSA-N 399.516 3.990 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)c(C)c1 4663805 MEWXSJQHTOBADI-LJQANCHMSA-N 375.424 3.745 30 40 GHEB CC(C)N(CCCSCC#N)C[C@@H]1CCCN(CCCSCC#N)C1 95979975 XNRUGOYRQCCMBK-LJQANCHMSA-N 382.643 3.703 30 40 GHEB COc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c1OC 409060747 XLERNCPLTHDGBR-JVTDZOJGSA-N 398.440 3.636 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Cl)c(OCC#N)c(OCC)c2)C(=O)N1CC 408856902 RWVVAEKVKQKCPU-QLHIFGAHSA-N 393.896 3.953 30 40 GHEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 408962673 JDEGXOIXIIVLBN-AUWJEWJLSA-N 375.793 3.845 30 40 GHEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OC)c1OCc1ccccc1 409065001 JYMPSSZPXGGBNE-UHFFFAOYSA-N 396.439 3.732 30 40 GHEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC 408779569 YPYGEDZYYRVFRN-SFQUDFHCSA-N 396.830 3.744 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 7645607 STILCYWDIAYLMT-HSZRJFAPSA-N 378.472 3.806 30 40 GHEB C=CCOCCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 598207583 UMMDRICUYNKIOO-UHFFFAOYSA-N 375.900 3.527 30 40 GHEB C=C(C)Cn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1ccncc1 156115818 CQDNWVCDJDTQRZ-UHFFFAOYSA-N 380.473 3.995 30 40 GHEB CC(=O)Nc1ccc(/N=C/c2c(C)c(C#N)c3[nH]c4cc(C)ccc4n3c2=O)cc1 100312346 HWRIJAQKYHBOIJ-BRJLIKDPSA-N 397.438 3.978 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)CSc2nc(O)c3ccccc3n2)cc1 2651498 AMRAYOIHWPXTOJ-UHFFFAOYSA-N 378.457 3.683 30 40 GHEB CCOc1ccc(/C=N/N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 2646665 FNVVLLKGPTXFFR-WSDLNYQXSA-N 389.367 3.777 30 40 GHEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nc(N)c21 12536991 PGCXLLORCDNQHL-OAHLLOKOSA-N 396.516 3.990 30 40 GHEB COc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409099781 UCNAPPDLRDGAKM-REZTVBANSA-N 385.605 3.860 30 40 GHEB Cc1csc([C@H](C#N)C(=O)CSc2ncnc3sc4c(c23)CCC4)n1 7824705 CODUDLRJRHTKOI-LLVKDONJSA-N 386.527 3.914 30 40 GHEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccc(Cl)cc1 408534045 KXNXCRIBVVCMTL-AWEZNQCLSA-N 376.199 3.595 30 40 GHEB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 32856173 DCAPHLIRVXGPJN-JOCHJYFZSA-N 388.446 3.705 30 40 GHEB C[C@H]1/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@]1(C(=O)O)c1ccccc1 13143565 GZBLEGZPSIEDSO-YEMQSZCLSA-N 398.375 3.723 30 40 GHEB CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 18181421 ZUNOVQFYHOWXKI-QRWLVFNGSA-N 379.456 3.517 30 40 GHEB COC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CC(C)(C)NC2(C)C 4275273 CKXRLXULKNCXCU-UHFFFAOYSA-N 397.500 3.818 30 40 GHEB C[C@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C[C@@H](C)O1 30001662 ZZCYROWALPADNF-IYBDPMFKSA-N 380.448 3.688 30 40 GHEB N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCN(c2ccc(F)cc2)CC1 40373873 NQKLFHJYDIRRKD-UHFFFAOYSA-N 393.378 3.587 30 40 GHEB COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2nc(C)nn21 8559768 POTOFOVMNLQOIP-RNODOKPDSA-N 376.416 3.604 30 40 GHEB COc1cc(NC(=O)[C@H](C#N)Cc2cccc3[nH]ccc23)cc(OC)c1OC 61719031 AODSZABYPBBOAT-AWEZNQCLSA-N 379.416 3.515 30 40 GHEB COc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)c(OC)c1 4426005 WPJDMWGBZWCSCI-OEAKJJBVSA-N 377.448 3.860 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(c1ccccc1)c1ccccc1 14021007 SAAPQMPFBLUIBX-UHFFFAOYSA-N 386.411 3.784 30 40 GHEB COc1ccccc1/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 6786065 SLRCGHLNCHWMIC-UDWIEESQSA-N 376.445 3.515 30 40 GHEB Cc1cc2nnc(SCC(=O)Nc3sccc3C#N)n2c2ccccc12 8346138 UPDRYSDGFWNABI-UHFFFAOYSA-N 379.470 3.855 30 40 GHEB Cc1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)o1 408929102 GYVGKVAAMRZLHJ-RORWIDQYSA-N 383.473 3.658 30 40 GHEB N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 618852856 XUXRXCHRPYRJBY-VQTJNVASSA-N 398.470 3.877 30 40 GHEB C/C(Cl)=N\OC(NC(=O)Nc1ccccn1)(C(F)(F)F)C(F)(F)F 100678791 RCDSCQOYKUDLRE-GEVRCRHISA-N 378.660 3.613 30 40 GHEB CCOC(=O)c1sc(NC(=O)COc2ccccc2Cl)c(C#N)c1C 1965094 RIQPGAXHKRQYCC-UHFFFAOYSA-N 378.837 3.776 30 40 GHEB CCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccccc1 7833545 GFFSUXSGJKQTCT-UHFFFAOYSA-N 377.473 3.762 30 40 GHEB N#Cc1ccc(COC(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)cc1 6938119 GVPIPTFACWHZGU-UHFFFAOYSA-N 399.366 3.557 30 40 GHEB CN(C(=O)COC(=O)c1csc(-c2ccccc2)n1)C1(C#N)CCCCC1 7162536 PKIFYBNNUQXOJL-UHFFFAOYSA-N 383.473 3.652 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087734 AMHKQBMXFDAJHZ-UHFFFAOYSA-N 391.405 3.501 30 40 GHEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(Cl)cc2)cc1 5669023 NLQYVQIKDKJUNR-SFHVURJKSA-N 384.819 3.787 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)c1 13569370 WZHFWVSXYGJGNI-KRWDZBQOSA-N 396.424 3.836 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C\[C@H]4[C@@H](C)C=C(C)C[C@@H]4C)c(O)nc3c2c1 15973991 VJKINILCVSZAGY-NBTPHSPBSA-N 380.448 3.664 30 40 GHEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2Cl)c1=O 5861858 JAZAERKZMMCOQK-UHFFFAOYSA-N 385.206 3.953 30 40 GHEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 20150177 SXRJDYCKWIFVSP-GOSISDBHSA-N 396.468 3.634 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C)cc1 8913797 MNZXBEFCQCTFRW-FQEVSTJZSA-N 395.455 3.537 30 40 GHEB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)CCC#N)c3N2)cc1 3012715 ANWXADMDEGGNNS-JKSUJKDBSA-N 391.397 3.838 30 40 GHEB CCOC(=O)/C(=C/NC(=S)Nc1c(C)cccc1C)C(=O)c1ccccc1 104303328 ATSNCZWQEPLLOX-GHRIWEEISA-N 382.485 3.920 30 40 GHEB COc1ccc(CCC(=O)Oc2ccc(C#N)cc2OC)cc1Br 24833492 RGXSNPIHYKEIEG-UHFFFAOYSA-N 390.233 3.876 30 40 GHEB CCOc1cc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)ccc1O 4591268 HBIYUOUXFDDKTH-KQHCDTJNSA-N 398.440 3.723 30 40 GHEB Cn1cc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c2ccccc21 5023499 AVJVADVFLYYSHX-OSZJIOELSA-N 385.427 3.687 30 40 GHEB C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1OC)C2 12345654 SHXYWAPSDQKEMD-VXMMSVGHSA-N 377.484 3.722 30 40 GHEB CCOC(=O)NC(NCCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 20840735 DYXUNJFAPVYAGF-UHFFFAOYSA-N 376.272 3.525 30 40 GHEB COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 832535 OGMQHOZBZHIDLF-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB CN(C)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197658 QKICWWUZNWHAOB-VLIAUNLRSA-N 391.500 3.821 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 4310852 JPKHVDNBRFISDP-IBGZPJMESA-N 398.890 3.788 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(OC(F)(F)F)cc1)NCC2 5323504 XJILLCMQPQNJRK-WJDWOHSUSA-N 393.361 3.972 30 40 GHEB C[C@H](Oc1ccc(/C=N\c2ccc(I)cc2)cc1)C(=O)O 408854205 ZPLQBLCMTIBDOS-TZQXVGBESA-N 395.196 3.894 30 40 GHEB CCOC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516549 UBBKURRLBHUXDA-IPMKNSEASA-N 375.877 3.826 30 40 GHEB Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3cccc(C#N)c3)n2)c1 15675608 WSQLFZAWTUMVNU-NRFANRHFSA-N 396.454 3.939 30 40 GHEB biogenic,in-vitro O=C(Cc1ccccc1)NC/C=N/OC(=O)Nc1ccc(Cl)cc1Cl 16478615 POFWTIHFCPZOID-ZVBGSRNCSA-N 380.231 3.887 30 40 GHEB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 1889151743 PLRXCXUDWDEFBX-INIZCTEOSA-N 388.393 3.713 30 40 GHEB O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102798969 GLOSQQFJCRLFEQ-IBOXJLQUSA-N 380.400 3.909 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c([N+](=O)[O-])c1 12374519 PWOLCELAAVSXLD-IAGOWNOFSA-N 391.383 3.938 30 40 GHEB C[C@H](NC(=O)CON=C1CCC2(CC1)OCCO2)c1ccc2ccccc2c1 54231810 XDSJEEJLFFDCCA-INIZCTEOSA-N 382.460 3.707 30 40 GHEB C/C(=N\Nc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)c1ccccc1 408724803 BAQWCRATDPWBAD-WPWMEQJKSA-N 387.491 3.864 30 40 GHEB Cc1nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)ccc1C#N 84028702 WHNIQVLAKLWWHN-HXUWFJFHSA-N 377.469 3.699 30 40 GHEB C=CCN(c1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224368057 ZJBMGRGCCKGTHG-UHFFFAOYSA-N 384.501 3.740 30 40 GHEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N 225779252 NKQNNHNAMPJBET-UHFFFAOYSA-N 398.846 3.824 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1 5476018 VTYXDBQARCXBFV-UHFFFAOYSA-N 375.222 3.737 30 40 GHEB CCOc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 17015425 DGCAWBTVPLWZIE-UHFFFAOYSA-O 376.480 3.735 30 40 GHEB N#Cc1cnc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)c(Cl)c1 1888876237 SYFISVTUJZQRDS-BETUJISGSA-N 393.800 3.593 30 40 GHEB Cc1ccc(/N=C(\O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1F 3022947 CKLAWFWQKBQTRU-UHFFFAOYSA-N 380.416 3.694 30 40 GHEB O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 1065837 CXRREZDMSVJLFB-SHHOIMCASA-N 396.494 3.934 30 40 GHEB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100129361 KEUXLWIQTBTHBJ-RHSMWYFYSA-N 394.858 3.815 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 20633209 VIRMKEVYLXKOPI-IBGZPJMESA-N 390.399 3.963 30 40 GHEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@@H](c1ccco1)N1CCOCC1 27795063 FOPYZHOAISIJIJ-KRWDZBQOSA-N 398.850 3.945 30 40 GHEB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 173906281 FMTKZSFSHHLJDI-UHFFFAOYSA-N 379.297 3.808 30 40 GHEB N#Cc1cccc(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 23148233 VWFJLPLNSIYYAI-UHFFFAOYSA-N 375.394 3.775 30 40 GHEB COC(=O)c1ccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)cc1 20591612 ZOGGYMHTKCDVLR-UNOMPAQXSA-N 393.439 3.699 30 40 GHEB C=CCc1cc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 14197954 ZKOKMOFRSISPFC-UHFFFAOYSA-N 396.487 3.760 30 40 GHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(Cc3ccc(Cl)cc3)c2)c1 5860762 RQGKHISXXMIJAK-UHFFFAOYSA-N 378.815 3.667 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1 408765703 XGTPTVYGWHTPBX-UNUHRMFVSA-N 385.876 3.723 30 40 GHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223200982 PTEPNIOTDHORRH-NRFANRHFSA-N 382.479 3.724 30 40 GHEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccccc1F 225871031 DAYBELZCTKTBLG-UHFFFAOYSA-N 393.441 3.595 30 40 GHEB Cc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3cccc(C#N)c3)n2)cc1 15675550 KXLPFXWQUFZQPP-NRFANRHFSA-N 396.454 3.939 30 40 GHEB biogenic,in-vitro CCOc1ccc(/N=C2\N=C(O)S\C2=N/Nc2ccccc2C(=O)O)cc1 2689064 DAEWLLOPDKMKFJ-JWGURIENSA-N 384.417 3.900 30 40 GHEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 20149902 ISQYTIGTAAHKAY-IBGZPJMESA-N 394.427 3.556 30 40 GHEB CN(C)C1(CN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)CCCCC1 13692852 AKJHTTKTRANNKH-UHFFFAOYSA-N 396.560 3.587 30 40 GHEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2C1 4278979 SRINHXLIGWXVGC-UHFFFAOYSA-N 391.496 3.790 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 6681160 ACRQSSCYEFKASR-UHFFFAOYSA-N 397.481 3.697 30 40 GHEB C=CCn1nnnc1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 7602041 AMNHNZKXARVKHB-UHFFFAOYSA-N 385.855 3.712 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(F)cc2)no1 102733388 UVINXAOLCKKYDN-IBOXJLQUSA-N 384.388 3.810 30 40 GHEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102866310 BWOVTGZATXTPEM-HVESIFNPSA-N 391.814 3.756 30 40 GHEB CC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(CCCC(=O)O)[C@H]1c1ccccc1 4190320 ZNWLLGJBWJPVMD-QFIPXVFZSA-N 392.455 3.698 30 40 GHEB O=C1C(O)=C(c2cccc(I)c2)C(=O)c2ccccc21 5729649 VVUZVZGELWXNPM-UHFFFAOYSA-N 376.149 3.640 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)c(F)c2)nnc1-c1ccncc1 6879721 HWEXZWLAWOIJQP-UHFFFAOYSA-N 384.436 3.649 30 40 GHEB CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O 4900052 OKVIEVNSVMZVKN-FCVXWEMSSA-N 380.517 3.997 30 40 GHEB CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)c1ccccc12 4993022 VAZFOBHMKJLQKG-LJQANCHMSA-N 375.424 3.827 30 40 GHEB C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 9944521 LZBZJBXSJDXUNB-VXGBXAGGSA-N 376.551 3.673 30 40 GHEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895596 XBVVTPFOWFUEHX-UHFFFAOYSA-N 378.881 3.988 30 40 GHEB Fc1cnc(N/N=C/c2ccc(Sc3ccccc3)o2)nc1N1CCOCC1 8306917 ILTFWAOIABHZJT-WSDLNYQXSA-N 399.451 3.643 30 40 GHEB CN(C)CC/N=C1/NCCCCCCOc2ccccc2Oc2ncccc21 643570869 UTKKBUMKLHEFEG-UHFFFAOYSA-N 382.508 3.725 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1C[C@@H]1CCCO1 8838352 BYADVRHRLDWRHH-UGSOOPFHSA-N 399.468 3.514 30 40 GHEB Cc1cc(C)cc(C(=O)N2CCC[C@H](/C(O)=N/c3nc(C(F)(F)F)n[nH]3)C2)c1 40153409 PERQVYOONLXHRG-LBPRGKRZSA-N 395.385 3.581 30 40 GHEB O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(Br)cc1 4697146 HVAYLKLIEKYMSH-UHFFFAOYSA-O 396.264 3.872 30 40 GHEB Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 20673956 AFEFQCFSCBVSFP-SFHVURJKSA-N 390.487 3.633 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2)c(OC)c1 4973862 OIFAFPJRNRZXHY-LZKUZYFISA-N 383.473 3.558 30 40 GHEB O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 8209390 LWCXSTJXGDPAGL-UHFFFAOYSA-N 391.537 3.846 30 40 GHEB COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(=N)oc12 17077550 RMSAIUNAICZCSA-UHFFFAOYSA-N 379.441 3.985 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cccs2)C1=O 409051224 JKRKJOQUYKDMAQ-KAMYIIQDSA-N 385.466 3.610 30 40 GHEB C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)CC)CC1 72345252 SSRBMLKVBCUMSX-UHFFFAOYSA-N 391.515 3.612 30 40 GHEB N#Cc1ccc(CN2CC[C@@H](NCc3ccsc3C(F)(F)F)C2=O)cc1 529553013 AKSZPBJKPJAJSW-OAHLLOKOSA-N 379.407 3.529 30 40 GHEB COc1ccc(Br)c(C=Nc2ccc(N3CCOCC3)cc2)c1O 257345410 RTKVJDSACCYQKK-UHFFFAOYSA-N 391.265 3.751 30 40 GHEB N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1 56127489 IOIWURMVTMEZBQ-KRWDZBQOSA-N 391.290 3.847 30 40 GHEB CC1=C/C(=N\C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)C=CC1=O 4269743 ZBBPHJWFDMRXMO-ZFMSCQQDSA-N 378.453 3.657 30 40 GHEB N#CCCN(CCC#N)C(=O)CSc1ncc(C(F)(F)F)cc1Cl 9160261 KDAHUUQDVDIHRS-UHFFFAOYSA-N 376.791 3.502 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCCOc3cccc(C)c3)nnc12 3365130 AFUYYGDBDZJRCI-UHFFFAOYSA-N 392.484 3.710 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@@]1(C)Oc1ccccc12 2137288 IBEMTEADOXCYPF-JXHRLWIKSA-N 376.456 3.860 30 40 GHEB biogenic C=CCc1cc(/C=N/O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 409070195 DVBSSHLAGPCHGA-YBFXNURJSA-N 381.837 3.653 30 40 GHEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435963 ACFMAPKNFKWXQC-DJJJIMSYSA-N 378.457 3.764 30 40 GHEB Cc1nnc(S/C(=C\c2ccccc2OCc2ccccc2C#N)C(=O)O)[nH]1 5348232 XMPFXOHXZFDPAT-ZDLGFXPLSA-N 392.440 3.782 30 40 GHEB CC(C)(C)C(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccc(F)cc1 4576289 CXBNBHQEBMTJBU-KRWDZBQOSA-N 391.439 3.781 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 6586397 BNEYZAQHXWQJBL-HNNXBMFYSA-N 377.444 3.637 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nncn2C2CC2)n(C2CCCC2)c1C 9058051 NDPGORPXJPFFGC-UHFFFAOYSA-N 384.509 3.749 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2O)nnc1-c1ccccc1O 8391488 DBLCIOMFQQBZOL-UHFFFAOYSA-N 396.472 3.582 30 40 GHEB N=C(/N=C/c1cc([N+](=O)[O-])ccc1O)SC[C@@H]1CCCN2CCCC[C@H]12 12428550 WLHXYODDKCAAPL-FLWJTGGKSA-N 376.482 3.652 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC(=O)O)cc1 17951209 NZQDUVCTGOUQIV-GOSISDBHSA-N 399.830 3.701 30 40 GHEB N#Cc1cc2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2nc1N 20026618 NCJCEZHRPGMOBV-UHFFFAOYSA-N 377.351 3.603 30 40 GHEB C#CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1 100260810 YBCCXPQBXBJZRZ-NOQVSKCTSA-N 392.436 3.631 30 40 GHEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccnc2)/C1=C(\O)c1ccc(Cl)cc1 102865894 TZFCRLPLZQACRM-GHNGSUTGSA-N 394.814 3.950 30 40 GHEB COc1ccc(NC(=O)/C(=N\Nc2ccc(Cl)cc2)C(C)=O)cc1Cl 27748469 UYTAGEGHIXMDKC-JWGURIENSA-N 380.231 3.998 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 408534002 RZMVDJCFQJJOEP-AQTBWJFISA-N 394.452 3.926 30 40 GHEB COc1ccc2[nH]cc(/C=C3/S/C(=N\c4nnc(C)s4)N(C)C3=O)c2c1 13691250 QHOUSASVXQLZJW-PAGIZCKBSA-N 385.474 3.570 30 40 GHEB Cc1nnc(=O)[nH]c1N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 4749831 VHVMPZFNQYYXOO-YDZHTSKRSA-N 385.427 3.652 30 40 GHEB COC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218426595 OCDWQEYIJOLGSI-QYZOEREBSA-N 375.877 3.745 30 40 GHEB CCCCCCC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)NC1=O 8387020 QBAXXAKMVAYMJT-UOBPLZBXSA-N 377.510 3.986 30 40 GHEB O=[N+]([O-])c1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 33703308 URYUJNFIXBZCPK-NHDPSOOVSA-N 393.359 3.923 30 40 GHEB C=CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1 222544914 DSTZMTBMWMQKMK-UHFFFAOYSA-N 382.319 3.924 30 40 GHEB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(CC#N)cc3)cc2)CC1 225772475 PSRKSAFQBOIXOQ-UHFFFAOYSA-N 394.544 3.712 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 222248708 KNCBQTFWQZHXCK-CPGZXKBESA-N 398.462 3.653 30 40 GHEB COc1ccc(N/C=C/C(=O)c2noc(C)c2C(=O)Nc2nccs2)cc1 100363728 OIRWDROHFLLAJA-BQYQJAHWSA-N 384.417 3.509 30 40 GHEB O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 21029860 NOXPLEKOKRIZAW-BUHFOSPRSA-N 397.500 3.589 30 40 GHEB CCn1c(SCC(=O)Nc2c(C#N)oc3ccccc23)nnc1-c1ccco1 7982138 LRCXXTFCSZMKBY-UHFFFAOYSA-N 393.428 3.907 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(OCC=C)c(Br)c2)C1=O 2057453 ADWZVRFNIXHZPU-GXDHUFHOSA-N 378.247 3.683 30 40 GHEB CC(C)(C)c1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)o1 27794200 QBINSVMOPNIJMM-KRWDZBQOSA-N 388.899 3.983 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccccc3OCC)nnc12 3365323 WZDDRBSQZURXJD-UHFFFAOYSA-N 392.484 3.921 30 40 GHEB C=CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409343855 HZSNNRQRQNBFBU-UHFFFAOYSA-N 390.226 3.856 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C#N)C1 4719203 DUSBHRSOVDMWOQ-SECBINFHSA-N 386.389 3.813 30 40 GHEB COc1cc(OC)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 14734675 FWJAABFGXABPBS-GFCCVEGCSA-N 386.473 3.779 30 40 GHEB O=S(=O)(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 5774726 ABDQDOTZMBVWRI-HYARGMPZSA-N 384.432 3.717 30 40 GHEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218382543 YKWAEXZLWNAEKA-HOTGVXAUSA-N 377.252 3.967 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(C[C@@H]4C[C@@H]5C=C[C@H]4C5)CC3=O)n2)cc1 218134943 UCWRTPKRLIEUJB-KBMXLJTQSA-N 393.512 3.543 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 225652893 NTNFQQXVPHZZHN-UHFFFAOYSA-N 395.528 3.860 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12219392 WXDUIBMCIGGMFW-UHFFFAOYSA-N 390.443 3.716 30 40 GHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 2953469 KQTRUQBIVURBLY-DHDCSXOGSA-N 387.800 3.968 30 40 GHEB C=CCn1c(S[C@H](CC)C(=O)NCc2ccccc2)nnc1-c1ccncc1 8944475 YIFXARGNXSLWQF-GOSISDBHSA-N 393.516 3.713 30 40 GHEB N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCc3ccsc3)cc2)c1 109034431 ISZUSDIGKYFTLF-UHFFFAOYSA-N 391.452 3.709 30 40 GHEB CCOc1ccc(CCNC(=O)CO/N=C(\C)c2ccccc2)cc1OCC 6078914 JDWRRCQGBSOJEZ-JJIBRWJFSA-N 384.476 3.584 30 40 GHEB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)NC1(C#N)CCCCC1 7161909 NPSUWFNIZXPWBY-LBPRGKRZSA-N 391.522 3.566 30 40 GHEB Cc1ccccc1OCc1nnc(SCC(=O)c2ccc(C#N)cc2)n1C 9328115 MZEYCGBRRPFREM-UHFFFAOYSA-N 378.457 3.549 30 40 GHEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896283 ZGOJFDLSTWUXLK-UHFFFAOYSA-N 378.881 3.988 30 40 GHEB CS[C+](c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1 16248652 ZVHGDKCHXKGCPC-UHFFFAOYSA-N 395.595 3.774 30 40 GHEB C=CCNC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[nH]c2c1 10274406 XXMXHPIMOQEMKW-UHFFFAOYSA-N 385.876 3.677 30 40 GHEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccccc1 868601 JICIOXUSRQHABY-SLNYWTKHSA-N 383.473 3.675 30 40 GHEB COc1cc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)ccc1OC(F)F 24771887 LKRSILWIWUZCRP-ZZXKWVIFSA-N 389.333 3.913 30 40 GHEB COc1cc(/C=N/OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 107445464 HVIZQIDRAPSPDX-AYLJEILGSA-N 396.434 3.588 30 40 GHEB CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1 96336089 ZEJWPVJSUWIQSI-INIZCTEOSA-N 396.424 3.918 30 40 GHEB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 95995999 CLOQRPKGRAOAKO-HOTGVXAUSA-N 383.414 3.978 30 40 GHEB C=CCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C 9935684 PDRISPSMMSLRJD-VWLOTQADSA-N 399.494 3.985 30 40 GHEB biogenic Cc1nn(CCC#N)c(C)c1OC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1539280561 JWZHJLARICYBCA-JKSUJKDBSA-N 388.265 3.885 30 40 GHEB C=CCSc1nnc(-c2ccc(OC)cc2)n1CC(=O)Nc1ccccc1 41124429 ARAAERQQWOHLLQ-UHFFFAOYSA-N 380.473 3.871 30 40 GHEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccccc3O)C(=O)N2C)cc1 1012414 MNEPBIXSERQOMS-WIQPNEMMSA-N 382.441 3.803 30 40 GHEB C=CCNC(=S)N/N=C\c1cn(CCOc2ccccc2)c2ccccc12 6295796 NSRNSWLVVCNMQV-HAHDFKILSA-N 378.501 3.704 30 40 GHEB CCN(Cc1ccccc1)c1ccc(/C=N/N2C(=O)N[C@](C)(CC)C2=O)cc1 5166692 BPBPUBZLDSFCJQ-WWOVWOHCSA-N 378.476 3.768 30 40 GHEB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C#N)C1 4280350 IKRHETXGUZYTKC-AATRIKPKSA-N 387.486 3.848 30 40 GHEB CCOc1ccc2nc(NC(=N)/N=C(\C)c3ccccc3C(=O)O)nc(C)c2c1 18121893 FBKSPSAMBFJPMT-FSJBWODESA-N 391.431 3.891 30 40 GHEB N#Cc1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)sc2c1CCC2 2465595 LCOFCBUFTAHBEG-UHFFFAOYSA-N 379.397 3.744 30 40 GHEB N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccccc4)C2)C3)c1 8295033 LIDWVHOXGPPJAB-GHTZIAJQSA-N 395.462 3.646 30 40 GHEB biogenic,in-vitro CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=N/Nc3cccc(C)c3)o2)cc1 8569875 ITSMDGKHHPAPFT-FYJGNVAPSA-N 397.456 3.526 30 40 GHEB O=C(O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21)C1CC1 1400723 OGLICLBTBXDFEV-ULJHMMPZSA-N 388.345 3.910 30 40 GHEB C=CCNc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 20897797 HFNJCXFFEYITIT-UHFFFAOYSA-N 382.376 3.927 30 40 GHEB CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)C[C@@H](C)C#N 107089976 DNMIXBAOKYPPHQ-FXAWDEMLSA-N 378.476 3.747 30 40 GHEB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1C#N 113834813 JRUZCRMTTMPXEW-VCHYOVAHSA-N 396.493 3.977 30 40 GHEB N#Cc1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1Cl 58120392 SCZMDEQYFDJHMD-UHFFFAOYSA-N 389.286 3.626 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 18210562 PSHFGQDKYZZOKE-UHFFFAOYSA-N 385.518 3.935 30 40 GHEB C=CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 14343495 SOVYYMCULHNPKM-UHFFFAOYSA-N 380.444 3.568 30 40 GHEB C=CCn1c(C)c([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)c2ccccc21 68569673 CIRIJLNFZYLSSV-UHFFFAOYSA-N 377.448 3.790 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(c4cccc(OC)c4)CC3=O)n2)cc1 9422037 PPDCSDHSGSZJRH-UHFFFAOYSA-N 393.468 3.544 30 40 GHEB C#CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl 409139348 NDGDKDPYQRWZAC-ATVHPVEESA-N 396.855 3.752 30 40 GHEB COc1ccccc1-c1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 7784321 NDQHECTYVZQVAR-CYBMUJFWSA-N 386.477 3.568 30 40 GHEB O=C(NCC#CCN1CCc2ccccc2C1)C(c1ccccc1)c1ccccc1 70641620 URHQDZJBBINJJK-UHFFFAOYSA-N 394.518 3.996 30 40 GHEB C#CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1Cl 34807493 JXYBMAOTXLJRJZ-UHFFFAOYSA-N 384.932 3.845 30 40 GHEB CCN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)NC1=S 39556606 ATUHXCSSFXMHJO-ODLFYWEKSA-N 386.480 3.639 30 40 GHEB CCCn1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C1CC1 562707162 ADWNPQZGXDRCCN-UHFFFAOYSA-N 398.410 3.862 30 40 GHEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225035233 HONRSEZGMMCOGW-UHFFFAOYSA-N 386.351 3.995 30 40 GHEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223553736 HNVDFWWLEVTNLS-OAQYLSRUSA-N 380.488 3.723 30 40 GHEB COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCc3nccn3C)cc1)CO2 97152294 OETPTLWFHZIHDR-WJDWOHSUSA-N 376.412 3.666 30 40 GHEB O=C1CSC(=S)N1/N=C/c1cn(CCOc2ccccc2)c2ccccc12 7095827 UGPXMZRABASBFQ-CIAFOILYSA-N 395.509 3.915 30 40 GHEB CCOC(=O)/C(=C\NC(=S)Nc1c(C)cccc1C)C(=O)c1ccccc1 16958418 ATSNCZWQEPLLOX-LGMDPLHJSA-N 382.485 3.920 30 40 GHEB CCc1ccccc1NC(=O)[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 17079310 DERFBXSMYLWUCC-ROUUACIJSA-N 388.467 3.724 30 40 GHEB CCOC(=O)N1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 6340549 AJWCEKZNIADKOZ-ZCJKAFFOSA-N 397.434 3.938 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C)cc1 8913796 MNZXBEFCQCTFRW-HXUWFJFHSA-N 395.455 3.537 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)Oc3cccc(Cl)c3Cl)cc2C1=O 6886654 INRDWHQEMDTVHW-UHFFFAOYSA-N 376.195 3.995 30 40 GHEB O=C1c2ccccc2C(=O)N1CSC(=S)N/N=C/c1ccccc1Cl 701888 MQQWKLGJPUOBLL-DJKKODMXSA-N 389.889 3.535 30 40 GHEB CCOC(=O)[C@@H](C(C)=O)C(=O)/C=C/c1ccc(OC)c(OCc2ccccc2)c1 100206753 LWMLWOUYFFAIGS-YUAYGMJFSA-N 396.439 3.625 30 40 GHEB CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C(C)C)ccc3C#N)C2=O)cc1 100587642 GVPGEJKRLKJEOE-GOSISDBHSA-N 395.484 3.900 30 40 GHEB Cc1ccc(-c2csc([C@@H](C#N)C3=NS(=O)(=O)c4ccccc43)n2)cc1 5683951 CNTLCFDPHNRZJJ-HNNXBMFYSA-N 379.466 3.917 30 40 GHEB N#Cc1cccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 7307019 WZLPOGHNOHBVKT-HNNXBMFYSA-N 383.498 3.736 30 40 GHEB C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccnc1 8472374 BGXKPOQMBQWMKU-GOSISDBHSA-N 391.500 3.638 30 40 GHEB O=C(O)c1ccccc1-c1ccc(/C=N\NC(=S)NCc2ccccc2)o1 409213197 SZKZVPWYZNNKAC-XKZIYDEJSA-N 379.441 3.643 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4c(F)cccc43)CC2)c(F)c1 506791396 ZHIUVBHKNDFEFC-FQEVSTJZSA-N 381.426 3.857 30 40 GHEB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=O)c3ccccc32)c1 852720 ITOCMGJMMLKZTN-QQNJPBSNSA-N 393.442 3.745 30 40 GHEB biogenic Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 5446277 RMINPJJNSOXGHQ-JBCNATCCSA-N 392.499 3.677 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccncc1 10492064 ACIUEVLTFIKQLB-OWCLPIDISA-N 385.537 3.796 30 40 GHEB COCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1C[C@@H]1CCCO1 4858429 HFCONGZVQUCDQO-ZREAOVPFSA-N 385.533 3.941 30 40 GHEB O=C1CSc2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2N1 22476583 UEAQABUZLMFYRX-UHFFFAOYSA-N 390.386 3.531 30 40 GHEB CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1 104308206 ZWBVBDHBDTZYOE-IGTQYIEMSA-N 399.516 3.632 30 40 GHEB Cc1nc(O)nc(N/N=C\c2ccc(O)cc2)c1C(=O)Nc1ccc(Cl)cc1 104296832 QYOVAJHUYCCKRM-FBHDLOMBSA-N 397.822 3.548 30 40 GHEB COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(OC(F)F)c(OC)c1)CO2 58192305 IFQLQQGGRVYCGM-SDQBBNPISA-N 392.354 3.973 30 40 GHEB N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3Cl)CC2)cc1Cl 58447257 RIPKGJHLUOLHRY-UHFFFAOYSA-N 389.286 3.626 30 40 GHEB C=CCOc1ccc(CN(C)Cc2nc(COc3ccc(OC)cc3)no2)cc1 12792754 NAPINDIEFLBYIJ-UHFFFAOYSA-N 395.459 3.854 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1C 6271605 CNYSGBQTGZHKCC-QGOAFFKASA-N 381.295 3.768 30 40 GHEB CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccc(F)cc1 4666671 PNSCVEPLHGLMQK-UHFFFAOYSA-N 392.430 3.955 30 40 GHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 5638560 KYVTYBQHGMDNIU-ORWNMUSCSA-N 387.892 3.903 30 40 GHEB C=CCn1c(SCC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 5776457 GKTKUUKRMJQLDY-CYBMUJFWSA-N 390.578 3.921 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2F)cc1 6820296 PZTLRDVVLAAMAS-CZUORRHYSA-N 383.394 3.978 30 40 GHEB CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 9373758 GKCZFMVGRHSUEB-GOSISDBHSA-N 378.384 3.921 30 40 GHEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1CC(C)C 9699269 QKASSURDPAFANK-UHFFFAOYSA-N 389.550 3.785 30 40 GHEB CCOC(=O)[C@@H](CCC1CCCCC1)OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 79936595 OZFCJCLQWSLCCF-QGZVFWFLSA-N 399.465 3.592 30 40 GHEB in-vitro N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCOCC1 12418895 NKXIHLGJSGWBAR-UHFFFAOYSA-N 385.807 3.875 30 40 GHEB N#Cc1cccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)c1 32441747 DCYJBRYBJXASFL-UHFFFAOYSA-N 392.480 3.754 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cccc(OCC)c21 100910386 SCRRPUAHWKNQTG-DQRAZIAOSA-N 379.485 3.542 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc3ccccc3cc2O)C1=O 2633417 CMGFKSPAZWDVOR-QFIPXVFZSA-N 397.475 3.861 30 40 GHEB N#Cc1ccccc1NC(=O)CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 79053414 LIXAZVZBYYKPOY-OAQYLSRUSA-N 389.455 3.716 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 4694803 GQQUYSGFGFKJGA-LDADJPATSA-N 393.420 3.633 30 40 GHEB COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(OC)cc2)cc1 4935780 YLJGWZUYNXTAHG-PYQFKKROSA-N 383.473 3.558 30 40 GHEB C=CCN(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 12326227 RMABRJUVAVRWAW-LJQANCHMSA-N 377.488 3.556 30 40 GHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100230491 BXROBWWXAGKEMJ-SSLVEBHQSA-N 386.451 3.626 30 40 GHEB CN(C(=O)COC(=O)c1ccc(COc2ccccc2)o1)C1(C#N)CCCCC1 10564398 UUVVHIOFQZVJJU-UHFFFAOYSA-N 396.443 3.700 30 40 GHEB N#CCCn1cc(C(=O)CSc2nnc3n2CCCCC3)c2ccccc21 6097357 UUSFWNKSZUKMJR-UHFFFAOYSA-N 379.489 3.848 30 40 GHEB C=C(C)CN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 6313803 GEZXWYLXQGELFH-UHFFFAOYSA-N 391.471 3.915 30 40 GHEB CN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1cccc(C#N)c1 65500203 IOOHPJSQHCPFLI-UHFFFAOYSA-N 378.382 3.787 30 40 GHEB N#CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7763771 VMZXYJIOMUIWDM-UHFFFAOYSA-N 395.513 3.990 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3c(C)cc(C)cc3C)c3n2CCC3)cc1 17249365 MPJCKHFRLNWIHY-UHFFFAOYSA-O 390.507 3.961 30 40 GHEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccccc1Cl 408533693 KMUHNBNGXXGXAS-GFCCVEGCSA-N 376.199 3.595 30 40 GHEB CCc1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408962127 QDQYLJRJGGVFFQ-BUVRLJJBSA-N 375.472 3.813 30 40 GHEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21OCO[C@]12COCO2 257198440 WFZVFCIUAYURKP-OXMJPARBSA-N 388.504 3.962 30 40 GHEB biogenic,in-vitro COc1cc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc(OC)c1OC 5006555 CTYCUXFGXYWVCG-YBEGLDIGSA-N 388.420 3.743 30 40 GHEB COCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccccc1 5879641 WXKSIDVMRUQTBO-NFYBBCHUSA-N 398.484 3.954 30 40 GHEB N#Cc1c(/N=[N+](\[O-])c2cnn(-c3ccccc3)c2C#N)cnn1-c1ccccc1 13410924 CIRQOGLYUUWSKM-FVDSYPCUSA-N 380.371 3.727 30 40 GHEB Cc1nn(CC(=O)N2c3ccccc3Sc3ccccc32)c(=O)c(C#N)c1C 31756431 BEUZMJNHQOQGAA-UHFFFAOYSA-N 388.452 3.561 30 40 GHEB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 6050405 AHJKJDUJLQFCFW-GOSISDBHSA-N 386.835 3.868 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 6549764 WNCFYNPGPMGOLT-VBKZILBWSA-N 383.521 3.680 30 40 GHEB CCCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2cccc(OC)c2)S1 5546191 UATJWLZIIPSNIN-KWJZBXMYSA-N 397.500 3.648 30 40 GHEB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 6653853 AWUZNGLLQBFZIL-UHFFFAOYSA-N 381.476 3.741 30 40 GHEB N#Cc1ccccc1OCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6652381 XKOGLJJXAOGLQQ-MRXNPFEDSA-N 393.468 3.759 30 40 GHEB Cc1c(C#N)c(NC(=O)COC(=O)c2cccc(C#N)c2)n(C2CCCC2)c1C 14779785 LSXYCAFZFPKKOF-UHFFFAOYSA-N 390.443 3.759 30 40 GHEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 5931438 ZGOMWVPFIFNXRE-NHYWBVRUSA-N 382.489 3.620 30 40 GHEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(OC)c(O)c3)cc2F)CC1 7586414 XVKQCGPJXDHCOG-XBXARRHUSA-N 384.451 3.578 30 40 GHEB N#Cc1ccccc1-c1ccccc1C(=O)NCC(=O)N1CCc2ccccc21 523187257 SZXUQIACTFSCOK-UHFFFAOYSA-N 381.435 3.544 30 40 GHEB O=S(=O)(/N=C(\O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 50204649 SUQUXFYWSWSJRO-GJZGRUSLSA-N 393.848 3.560 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NC2CC2)cc1 32828783 UFBXOKCSNGHMBR-SFHVURJKSA-N 378.457 3.551 30 40 GHEB CSc1cccc(NC(=O)[C@@H](C)N2CCCN(c3ccccc3C#N)CC2)c1 52801335 UVFLIJHPRKQVQD-QGZVFWFLSA-N 394.544 3.819 30 40 GHEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc12 4849034 AUSQPOZHZIKJGX-UHFFFAOYSA-N 377.425 3.874 30 40 GHEB N#Cc1oc2ccccc2c1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6506821 MXWXVNZAKFYBNV-UHFFFAOYSA-N 388.412 3.559 30 40 GHEB C=C(C)COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 1878374 QBDFATXJHXCPJA-GHTZIAJQSA-N 392.455 3.820 30 40 GHEB biogenic C=CCSc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12924113 RXPMWVCNUOKTKJ-UHFFFAOYSA-N 380.469 3.866 30 40 GHEB CO/N=C(/C[S@@](=O)c1ccc(Br)cc1)c1ccc(OC)cc1 5526819 JOVDEIQKDNPKBS-KNIWAEIXSA-N 382.279 3.616 30 40 GHEB N#CCOc1ccc2ccccc2c1/C=c1/sc2nc3ccccc3n2c1=O 408927913 YHSDCRNNZAQDSO-DEDYPNTBSA-N 383.432 3.512 30 40 GHEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(F)F 4837598 CNUMFLABKDHNMD-QGMBQPNBSA-N 382.279 3.559 30 40 GHEB C[C@@H](OC[C@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)ccc1Cl 84001572 YAGSEQMUFAIDOR-ZYHUDNBSSA-N 396.292 3.613 30 40 GHEB C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 408817356 NEPPSAFASXQPQU-XMHGGMMESA-N 385.423 3.802 30 40 GHEB N#Cc1c(F)cccc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4628610 SYLPYMJUSZCYOG-UHFFFAOYSA-N 394.328 3.951 30 40 GHEB CNC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 9423952 YAMDFHFIAHFGKJ-JTQLQIEISA-N 385.455 3.961 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 102537240 OUKMMKFUFWIXAI-GHNGSUTGSA-N 385.847 3.798 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 101670109 RUQGTVCDEDASEJ-WOJGMQOQSA-N 388.430 3.603 30 40 GHEB C/C(=N/S(=O)(=O)c1cc(Br)ccc1Br)OC(C)C 104065623 ORWXKBQNIOPMDI-ZSOIEALJSA-N 399.104 3.744 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1 100974365 OKDDMODXLGUTGW-QBTFKDRQSA-N 390.511 3.595 30 40 GHEB CC[C@@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(Br)cc1)O2 101000411 PJDMWSIYHHJOAQ-TWLYDYHNSA-N 399.248 3.814 30 40 GHEB Cc1cc(C(=O)CSc2nc(N)cc(N)c2C#N)c(C)n1-c1ccccc1F 48264756 FWRMDLJIIIHAPU-UHFFFAOYSA-N 395.463 3.639 30 40 GHEB CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1 12792050 XKTLGYAWPKHQRE-AWNIVKPZSA-N 375.515 3.993 30 40 GHEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966376 MICGXKDXVXIMKZ-UCQKPKSFSA-N 396.516 3.558 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1 225650840 RNDRQVJKBOLNDT-UHFFFAOYSA-N 395.528 3.860 30 40 GHEB Cc1c(/C=N/c2cc([N+](=O)[O-])ccc2O)c(O)n2c(nc3ccccc32)c1C#N 3026203 BLPARMBZQTWBBZ-LSHDLFTRSA-N 387.355 3.738 30 40 GHEB CCOc1ccccc1NC(=O)[C@@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 5962368 WKZKDGZXUGVVHY-AWEZNQCLSA-N 394.814 3.736 30 40 GHEB C=CCOc1ccc(Cl)cc1C(=O)N[C@H](C)c1nc(-c2cccnc2)n[nH]1 12191808 CTDSHZBVHPAJDN-GFCCVEGCSA-N 383.839 3.576 30 40 GHEB COc1ccc(/C=N\n2c(CCn3c(C)nc4ccccc43)n[nH]c2=S)cc1 13409784 LAIUXVAETAAFNZ-BKUYFWCQSA-N 392.488 3.732 30 40 GHEB COc1ccc([C@H]2C=C(c3ccc(Br)cc3)NC(=O)[C@H]2C#N)cc1 1775968629 HWFXJIHUAJCXDA-SJORKVTESA-N 383.245 3.852 30 40 GHEB CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1cc(Cl)cc(Cl)c1 100257115 SCPZAFBBQJVDAI-LBPRGKRZSA-N 381.259 3.711 30 40 GHEB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(C#N)cc1Cl 72289224 PMRLKUVELGWEKT-BXUZGUMPSA-N 380.876 3.779 30 40 GHEB Cc1c(C#N)c(NC(=O)COC(=O)Cc2ccccc2F)n(C2CCCC2)c1C 12261643 MIIRIPBYVINCAG-UHFFFAOYSA-N 397.450 3.955 30 40 GHEB COc1ccc(C(=O)C[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1OC 2119117 NEPBDEDAABKOQS-HNNXBMFYSA-N 385.416 3.610 30 40 GHEB biogenic CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12789651 HZPWXWDDEYTTHK-HVZAUCLLSA-N 375.523 3.572 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(N2CCCC2=O)cc1 5335609 GARVIBLAIXOCKF-DHZHZOJOSA-N 381.428 3.735 30 40 GHEB COC(=O)c1c(C)[nH]c(C2=NN(C)/C(=N\Cc3ccccc3)S[C@H]2C)c1C 16976857 SZLUURUWWPCEIM-PXKHIBQASA-N 384.505 3.746 30 40 GHEB Cc1ccc(OCCOc2ccc(/C=N/N3C(=O)CSC3=S)cc2)cc1 41082715 IEGVTTGXCIPDKI-UDWIEESQSA-N 386.498 3.647 30 40 GHEB C=CCNc1nnc(SCC(=O)Nc2ccccc2OC)c2ccccc12 15935476 WQTMOELVHVBQJU-UHFFFAOYSA-N 380.473 3.967 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 169690744 VGGZQNVGFUANKB-CIKNKBRWSA-N 386.451 3.797 30 40 GHEB COc1ccc([N+](=O)[O-])cc1/C=N/N/C(=N/c1ccccc1)c1ccccn1 3113517 GHKRGYDBUADJIZ-HYARGMPZSA-N 375.388 3.700 30 40 GHEB O=C1NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(C(F)(F)F)=CN12 98005279 HWXZEWNSDGRDOD-UHFFFAOYSA-N 387.589 3.814 30 40 GHEB COc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 4357476 QRTOSCUDQPVJFY-PXLXIMEGSA-N 389.463 3.670 30 40 GHEB N#Cc1ccsc1NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 58014392 SRSAEGCNUQXYNM-UHFFFAOYSA-N 382.466 3.846 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(C(=O)OC)=C1C 14009147 PCHBZQCXVZVRFL-ZHZULCJRSA-N 376.456 3.953 30 40 GHEB CC(=O)N1C(C)(C)CC(=NOS(=O)(=O)c2ccc(Cl)cc2)CC1(C)C 5518134 ZZPIWHYBKWTKEW-UHFFFAOYSA-N 386.901 3.601 30 40 GHEB COc1cc2ccccc2cc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 6606052 ULECXRRESHXGFD-MRXNPFEDSA-N 380.425 3.647 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccccc2Cl)cc1 19904225 IMRYTTMQUYQWHT-GOSISDBHSA-N 399.830 3.701 30 40 GHEB COc1cc(Br)cc(/C=N/OCc2ccccc2C#N)c1OC 408595946 XZXPBCQHOVPQQU-KEBDBYFISA-N 375.222 3.889 30 40 GHEB CCOc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165182 MFGDAEKDIRQPFB-XOBRGWDASA-N 376.416 3.686 30 40 GHEB C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 8112778 IJJIQMTXWUGXOR-LJQANCHMSA-N 399.443 3.653 30 40 GHEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)N2CCCc3ccccc32)nc1C 23223993 UNUVJSVNBRFQAT-HNNXBMFYSA-N 379.485 3.924 30 40 GHEB C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 3183679 WGAOBUJSNMDEEG-LJQANCHMSA-N 383.448 3.896 30 40 GHEB N#Cc1ccc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 3257258 QIJVNGQLQHYXBF-IBGZPJMESA-N 390.464 3.704 30 40 GHEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2264989 KXWOVMUTOHVVMT-QGZVFWFLSA-N 396.491 3.587 30 40 GHEB CC(C)Oc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1 18209093 XJSNDYSSXHTIMG-YPKZHZFPSA-N 385.464 3.777 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccccc1F 6670299 VNQHFAXBPAYPFX-UHFFFAOYSA-N 397.406 3.721 30 40 GHEB C=CCOc1ccccc1/C=c1\sc2nc(-c3ccc(Cl)cc3)nn2c1=O 16732768 XZRDBUIADYSXFY-ATVHPVEESA-N 395.871 3.584 30 40 GHEB CCOc1ccc2c(c1)C=C(/C(O)=N/S(=O)(=O)c1ccc(Cl)s1)CO2 84810948 XTSQFRCLGLESFS-UHFFFAOYSA-N 399.877 3.921 30 40 GHEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(Cl)cc2)S1 409083741 LMZCJIXYTZYRGB-RAXLEYEMSA-N 379.865 3.688 30 40 GHEB COc1cc(C=C2C(=O)CC(C)(C)CC2=O)cc(Br)c1OCC#N 408983367 BIMPQAXWTCAUFO-UHFFFAOYSA-N 392.249 3.702 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1)OCCO3 35289039 FRQRKGQSADCZLG-UHFFFAOYSA-N 377.425 3.608 30 40 GHEB Cc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 38654331 HCOLDMXALBGGDY-UHFFFAOYSA-N 384.483 3.948 30 40 GHEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224756706 VOFYAURMHJBYPX-UHFFFAOYSA-N 386.351 3.995 30 40 GHEB CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 5640215 NUPVWGSCBGFBDF-FBMGVBCBSA-N 381.295 3.850 30 40 GHEB CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4585887 CNDPPADDRIZQHB-UHFFFAOYSA-N 388.514 3.935 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2c(C)cc(C)cc21 100910085 DZCFDQDMKXEIOD-DQRAZIAOSA-N 380.469 3.711 30 40 GHEB COc1ccc(-c2cc(N3CCN(c4ccccc4)CC3)c(C#N)c(=O)o2)cc1 1617034 UCLIAKOEAUNNPI-UHFFFAOYSA-N 387.439 3.514 30 40 GHEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)c1 102735144 ZVVBYNJYZRMWAY-HVESIFNPSA-N 396.424 3.679 30 40 GHEB CCNC(=S)N/N=C/c1cn(CCOc2ccc(OC)cc2)c2ccccc12 1303178 ONXNCBPTIXZFOR-OEAKJJBVSA-N 396.516 3.547 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 3304213 RUZQELZXWANKAB-UHFFFAOYSA-N 381.819 3.807 30 40 GHEB N#Cc1ccc(OCC(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 6048957 HGZTXAMYGZMFQJ-UHFFFAOYSA-N 398.503 3.974 30 40 GHEB Cc1cc2oc(=O)cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)c2cc1C 5813100 BRXLUNPSVKTGHL-UHFFFAOYSA-N 390.395 3.619 30 40 GHEB N#CCCN(C(=O)CSc1nc(O)c2ccccc2n1)c1ccc(F)cc1 5932503 HNLZAVISJKZMGT-UHFFFAOYSA-N 382.420 3.513 30 40 GHEB Cc1cnn(CCN(Cc2cc(C#N)ccc2F)Cc2cc(C#N)ccc2F)c1 70011473 KUINJGXQYDWQJW-UHFFFAOYSA-N 391.425 3.915 30 40 GHEB Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 408533098 JKNTWNICKMAGOW-CQSZACIVSA-N 389.333 3.615 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 409330231 KAPSFJFNKDGMNZ-WJDWOHSUSA-N 385.470 3.832 30 40 GHEB CCOc1ccc(NC(=S)N/C=C(/C(C)=O)C(=O)Nc2ccccc2C)cc1 5733856 RLEONAKNSBXNGK-AQTBWJFISA-N 397.500 3.792 30 40 GHEB Clc1ccc(N/N=C/Cc2nnnn2-c2ccc(Br)cc2)cc1 5944838 JPVQVSWXWTYAOD-VCHYOVAHSA-N 391.660 3.719 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccccc1 12438230 KKTQAABOIMOUDK-QSEULQJASA-N 390.511 3.595 30 40 GHEB C/C(=N/Oc1nc(O/N=C(\C)c2ccccc2)ncc1[N+](=O)[O-])c1ccccc1 17175399 CXIGTEINMCPTJC-PMICNGQHSA-N 391.387 3.991 30 40 GHEB N#Cc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c(F)c1 1775975920 QJZYCTUFGLMKJC-UHFFFAOYSA-N 380.345 3.550 30 40 GHEB Cc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)c1 1354970 KHQXSSAXCMVTNI-UHFFFAOYSA-N 391.452 3.917 30 40 GHEB C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1 3874885 JUVIOZPCNVVQFO-CZAAIQMYSA-N 394.423 3.703 30 40 GHEB in-vitro N#CCCN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 4286788 FORCHAWKFYYHFZ-UHFFFAOYSA-N 375.428 3.591 30 40 GHEB CCOCCCn1c(S[C@@H](C)C#N)nc2ccc(Br)cc2c1=O 7441321 BLXMEDUXXNNCKT-NSHDSACASA-N 396.310 3.590 30 40 GHEB CN(CC(=O)NC1(C#N)CCCCCC1)Cc1ccc(Br)cc1 22842711 IFNVDFCDOJWCOT-UHFFFAOYSA-N 378.314 3.614 30 40 GHEB Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCCC#N)nnc23)c1 4491000 ZRTFKVAMOXYCSS-UHFFFAOYSA-N 375.457 3.656 30 40 GHEB COc1ccc(/N=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)cc1 5756398 FBVHGBROZLRXMV-OEAKJJBVSA-N 388.427 3.967 30 40 GHEB C=CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224345038 YSLNCBJWZCHHOC-UHFFFAOYSA-N 399.299 3.734 30 40 GHEB C=CCSc1nnc(NC(=O)CN2C(=O)c3cccc4cccc2c34)s1 223307075 KEWBPNPJEFZTGU-UHFFFAOYSA-N 382.470 3.568 30 40 GHEB COc1cc(Cl)cc(/C=N/c2ccc(NC(=S)NC(C)=O)cc2)c1O 6238374 GAGLNIRHSBDRKR-DJKKODMXSA-N 377.853 3.638 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 101231753 QNYSJPFLHYTQBF-GHNGSUTGSA-N 383.831 3.956 30 40 GHEB COc1c2c(cc3c1[C@@H](C#C[C@]1(C)CCCC(C)(C)O1)[N+](C)(C)CC3)OCO2 1280231 XPNINXWCURKQBU-HXOBKFHXSA-N 386.512 3.839 30 40 GHEB biogenic N#Cc1cccc(C(=O)NCc2cccc(NC(=O)c3cccc(C#N)c3)c2)c1 58315629 NVMRLYWBFLVJQH-UHFFFAOYSA-N 380.407 3.612 30 40 GHEB N#C[C@@H](c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cccs1 2235512 OFYNWEUMTWLEOG-INIZCTEOSA-N 398.513 3.720 30 40 GHEB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C 4620779 SMYYOGPOSZLIIW-LSHDLFTRSA-N 393.403 3.850 30 40 GHEB N#CCCn1cc(C(=O)CSc2nnnn2-c2ccccc2)c2ccccc21 5652047 IFULNKKCGWWBSF-UHFFFAOYSA-N 388.456 3.506 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)cc1 5860973 FIMHSOQCZMIDQR-INIZCTEOSA-N 397.500 3.844 30 40 GHEB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409129795 MHLSRCFIOBWPPI-WOJGMQOQSA-N 381.457 3.649 30 40 GHEB COc1cc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc([N+](=O)[O-])c1O 408980239 QATUNEDNCDWTSY-UHFFFAOYSA-N 376.372 3.631 30 40 GHEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1cc(C)cc(C)c1 223735310 GMZSWNYLXMGWPR-ATJXCDBQSA-N 397.500 3.599 30 40 GHEB CN(Cc1ccccc1)[C@@H]1COC2(CCN(Cc3cccc(C#N)c3)CC2)C1 96220987 IRUQVQMZOFHXQJ-QHCPKHFHSA-N 375.516 3.814 30 40 GHEB CN1CC[C@H](O/N=C(\Cc2nc3ccccc3n2C(F)F)c2ccccc2)C1=O 584906929 PLNPBMPNIZJUSI-LEBHPONQSA-N 398.413 3.626 30 40 GHEB COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 5607277 WOJJYHZSZSSQJL-BQYQJAHWSA-N 388.416 3.634 30 40 GHEB CO[C@@H]1CCN(c2ccc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)C1 206768009 LMXLQPKISBPJKD-JOCHJYFZSA-N 389.499 3.609 30 40 GHEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCC3)C2=O)cc1 22625626 UOBFQDUDGYMREP-MOSHPQCFSA-N 393.439 3.781 30 40 GHEB biogenic COc1cc(/C=C/C(=O)c2cc3cccc(OC)c3o2)ccc1OCC(=O)O 12746611 FXUVUBMFSCSLBW-SOFGYWHQSA-N 382.368 3.810 30 40 GHEB COc1ccc(C[C@H]2S/C(=N\N=C(\C)c3ccc(Cl)cc3)NC2=O)cc1 18209403 ZDVUJQLOGKMRJM-MTEVNVADSA-N 387.892 3.903 30 40 GHEB Cc1ccc(/C=N/N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)s1 4655991 UMPIRKNASUMKFJ-RCCKNPSSSA-N 399.568 3.692 30 40 GHEB C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2 9944520 LZBZJBXSJDXUNB-RYUDHWBXSA-N 376.551 3.673 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccc(C)cc1 409053849 DBFHGKQPKWQSHU-XDHOZWIPSA-N 392.455 3.882 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc2c(c1)c(C)nn2C 32913225 OVYFLXNBSUHVEH-UHFFFAOYSA-N 398.426 3.896 30 40 GHEB COc1ccc(/C=N/OCc2ccccc2C#N)cc1I 408596486 ZPTMRQSDQDQLGE-VXLYETTFSA-N 392.196 3.722 30 40 GHEB N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 70929271 ODJCONDKVVLYBG-UHFFFAOYSA-N 389.286 3.906 30 40 GHEB CCOC(=O)C(=O)/C(=N/Nc1ccccc1C(F)(F)F)C(=O)c1cccs1 2557524 MWQXPTFNZGVZCU-LPYMAVHISA-N 398.362 3.550 30 40 GHEB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 4505630 ZYRKFBQXCVEMPJ-UHFFFAOYSA-N 385.851 3.853 30 40 GHEB CCOc1ccccc1/C=N\Nc1cnn(Cc2ccccc2)c(=O)c1Cl 31854523 NEGOOUDPMCWUJM-UUYOSTAYSA-N 382.851 3.790 30 40 GHEB COC(=O)c1ccc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc1 59533755 QLFZFJJJJCHODD-WQRHYEAKSA-N 380.469 3.850 30 40 GHEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21721935 HCGQPVASDPWWBD-QFIPXVFZSA-N 379.460 3.786 30 40 GHEB Cc1ccccc1OCc1nc(C#N)c(N2CCN(c3ccccc3F)CC2)o1 27742890 FSMBEPNLSUTZJN-UHFFFAOYSA-N 392.434 3.899 30 40 GHEB COc1cc(OC)cc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 4451160 CRYWRILZWVNKGC-DNVJHFABSA-N 399.450 3.694 30 40 GHEB biogenic,in-vitro Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccs2)n(C[C@H]2CCCO2)c1C 14124022 QFYBYPHVXBRGTB-GDBMZVCRSA-N 386.521 3.506 30 40 GHEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OC(F)F 4598018 RYCXWUMAGURUJX-INIZCTEOSA-N 390.390 3.546 30 40 GHEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1ccc(O)cc1 15012193 NGCYPEJSOAVNPL-CVKSISIWSA-N 389.463 3.757 30 40 GHEB CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(C#N)cc2)cc1 7278808 HPLFENFCGXRDFR-UHFFFAOYSA-N 391.496 3.907 30 40 GHEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)S1 408721519 SAJFCTDGRMDQPJ-BOPFTXTBSA-N 398.444 3.561 30 40 GHEB O=[N+]([O-])c1cc(/C=N\NC(=S)NCc2ccccc2)c(Cl)cc1Cl 409210133 DXNHGAVYCKYGHU-OCKHKDLRSA-N 383.260 3.900 30 40 GHEB Cc1cc(/C=N/NC(N)=S)cc(C)c1OCc1ccc(Br)cc1 408856103 PIJGQCIWQQZZQC-AWQFTUOYSA-N 392.322 3.812 30 40 GHEB CCN1C(=O)[C@@H](Cc2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 409145961 QWYDAFNTJOTPHN-PNBGARPFSA-N 384.457 3.618 30 40 GHEB C=CCN(Cc1ccc(C(=O)N(CC)CC)cc1)S(=O)(=O)c1ccccc1 224467994 FJSBWHFBCWHVHP-UHFFFAOYSA-N 386.517 3.546 30 40 GHEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 222249622 BNGCXIRZEOVYLM-GRWSXBAESA-N 392.842 3.987 30 40 GHEB C=C[C@H](C)N1C(=O)S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O 1011563 BCLZFJPPWFJRDZ-FHNWIRHTSA-N 388.489 3.915 30 40 GHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 15223265 XYHIMOKLNQQMLK-YBEGLDIGSA-N 399.428 3.763 30 40 GHEB C1=CO[C@H](/C=N/Nc2nnc(N/N=C/[C@@H]3CCC=CO3)c3ccccc23)CC1 17418691 NVQOTXWCYFQIKD-RMPARNTDSA-N 378.436 3.811 30 40 GHEB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C#N)c1C 100535459 FFACTAVEYJYXOH-WJDWOHSUSA-N 394.456 3.823 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 102879701 AAHPKSDZIKFQGX-HVESIFNPSA-N 389.810 3.547 30 40 GHEB C=CCNc1nn2c(=O)c(C)c(C)[nH]c2c1-c1nc(-c2ccc(Cl)cc2)no1 57354754 FSVKCSPACHWNIZ-UHFFFAOYSA-N 396.838 3.608 30 40 GHEB CNC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)c2ccccc2O1 12548935 WYNOWMZLNVIYLH-HSZRJFAPSA-N 383.451 3.739 30 40 GHEB Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(C(=O)O)c2)c1 57878121 GSBAZNYEPNVTEE-SFHVURJKSA-N 379.412 3.818 30 40 GHEB C=CCOc1ccc(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 12886668 IXWWBLXXYREFON-OAHLLOKOSA-N 399.443 3.836 30 40 GHEB Cc1oc(-c2cccs2)nc1CN(C)S(=O)(=O)Cc1ccccc1C#N 12952050 GWUUXLKZPSVBBP-UHFFFAOYSA-N 387.486 3.545 30 40 GHEB O=C(NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 13810327 ICDJXYXKCYMCDE-UHFFFAOYSA-N 381.251 3.884 30 40 GHEB CCn1c(N/N=C/c2cc(Br)c(O)c(OC)c2)nc2ccccc21 408692057 CKMJKQRSLCWGPB-VXLYETTFSA-N 389.253 3.979 30 40 GHEB Cc1ccc(S(=O)(=O)OC[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 34372752 NXLHXKQZPMJMPL-GOSISDBHSA-N 389.473 3.502 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225030287 ZNVPUSJVGNYIQX-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB Cc1cc(NC(=O)CO/N=C(/N)c2ccc(Cl)cc2)ccc1Br 15572821 GNRVSDXKHAPCLI-UHFFFAOYSA-N 396.672 3.687 30 40 GHEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C3/C(=O)Nc4ccccc43)S1)C2 10272208 OAVDCIKHNKFDAA-FYERXDBNSA-N 394.500 3.771 30 40 GHEB CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@H]2C=Cc3ccccc3N12 33768835 RGXNFWVSZRVNRW-VWEIPLKFSA-N 399.494 3.665 30 40 GHEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(OC)cc1)C2 100765808 JBYKPYZVLDVKCA-NHCUHLMSSA-N 377.484 3.722 30 40 GHEB C=CCSc1ccccc1NC(=O)CSc1nnnn1C1CCCC1 12730126 GKVLTUXFSLYILF-UHFFFAOYSA-N 375.523 3.797 30 40 GHEB CC(C)n1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2 8156542 SSXAHNHDGHXZNJ-UHFFFAOYSA-N 390.538 3.577 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 17748718 PUHUJTMHZPJZIM-HXUWFJFHSA-N 386.407 3.873 30 40 GHEB COc1cc(N[C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)cc(OC)c1 83920145 FJJMQLZNZPQWGK-QGZVFWFLSA-N 380.448 3.684 30 40 GHEB COc1cccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 146644832 XSELENHNOIKQQE-LPYMAVHISA-N 383.473 3.501 30 40 GHEB CCn1ncc(/C=N/Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1F 252487883 IDFYOQIJGYBIPW-LSFURLLWSA-N 378.333 3.964 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ncnn21 19959877 PMKQZSFJBPZUOL-RNODOKPDSA-N 376.416 3.686 30 40 GHEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 102962236 QGLNGCHAEXBNRJ-DVCONVQISA-N 383.448 3.948 30 40 GHEB O=C(C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2)c1ccc([N+](=O)[O-])cc1 1840782 BIXDZKBKRYCRRT-XKZIZAOGSA-N 385.465 3.579 30 40 GHEB biogenic C=CCn1c(SCC(=O)NC[C@@H](C)c2ccccc2)nnc1-c1cccnc1 8472148 VBTYNCWDELUQSN-MRXNPFEDSA-N 393.516 3.538 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccccc1 5348013 VQWMAWPWLOAWPL-SFHVURJKSA-N 383.411 3.574 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccs2)cc1 18219434 HBALTVPIPPKPKC-DJJJIMSYSA-N 378.457 3.764 30 40 GHEB C=CCn1c(SCc2occc2C(=O)OCC)nc2sccc2c1=O 8935416 GZEKTAIHOKNFQE-UHFFFAOYSA-N 376.459 3.706 30 40 GHEB C=CCN1CC[C@]2(CN(Cc3cc(C)cc(C)c3)C[C@H]2c2nccs2)C1=O 306140864 VFUDTYFMEWMEFP-SIKLNZKXSA-N 381.545 3.764 30 40 GHEB CC1(C)/C(=C/C=C2\C=CC=CC2=O)N(CCCS(=O)(=O)O)c2ccccc21 1570009248 YIVLCIYZFGXDBT-UVBZOIGOSA-N 385.485 3.568 30 40 GHEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CCCCCC1 5715335 HSQIGXFBXWPOPB-UHFFFAOYSA-N 382.486 3.747 30 40 GHEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5ccccc5C4)[C@H]3[C@@H]3O[C@@]132 12659992 YRYDGSXOQSVDAV-QVWGPJDHSA-N 381.516 3.570 30 40 GHEB biogenic COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)c1 18144866 HRGOEOAYXZCBQF-HXUWFJFHSA-N 395.455 3.938 30 40 GHEB CCNc1cc(N)[n+](CC)c2[nH]nc(/N=C/c3cc(Cl)cc(Cl)c3O)c12 18190197 SDTFZVPEHZXOMP-UHFFFAOYSA-O 394.286 3.647 30 40 GHEB COc1cc(OC)c(/C=N\Nc2cc(C)nc3cc4c(cc23)OCO4)c(OC)c1 5392925 ZVEXHICWHZJRRA-YVNNLAQVSA-N 395.415 3.744 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(-c2ccco2)s1 2086896601 AOOVCAZFCKYEIO-UHFFFAOYSA-N 399.859 3.831 30 40 GHEB Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 40087862 WVAQLOFAEWGPMZ-UHFFFAOYSA-N 393.535 3.605 30 40 GHEB O=S(=O)(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 657375 MSEGCGQZDQJBIK-HYARGMPZSA-N 384.432 3.717 30 40 GHEB S=C(NC[C@@H]1CCCO1)N/N=C/c1sc(Nc2ccccc2)nc1Cl 3314497 RPLZEOBEJIAAPZ-NJDFMEINSA-N 395.941 3.517 30 40 GHEB C=CCn1c(N)c(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 2421469 LSBDJUFODUVOBF-UHFFFAOYSA-N 392.484 3.802 30 40 GHEB CCCc1cc(C(=O)O/N=C(\N)c2ccc(NC(=O)C3CC3)cc2)sc1C 8986313 KUWHHPPBKREFBR-UHFFFAOYSA-N 385.489 3.835 30 40 GHEB O=C1/C(=C/c2ccco2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 9419387 IRGGWSQRUOPLPN-ZDLGFXPLSA-N 386.356 3.803 30 40 GHEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 409084492 PNXUAGYOCPBEIQ-FBKCMUNRSA-N 393.917 3.732 30 40 GHEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)C2(c3ccc(F)cc3)CCC2)c1 48560791 HFHHOQCZYHKZEA-UHFFFAOYSA-N 375.421 3.795 30 40 GHEB COc1cccc(Cn2cc(C)cc(NC(=O)Nc3ccc(C#N)cc3)c2=O)c1 5000915 KVAKATXSPJPOHW-UHFFFAOYSA-N 388.427 3.729 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 5564219 ZNVVRZUNMNJKBP-YDJIHCHBSA-N 396.462 3.589 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 12418263 PWLRWTRKKAXDJG-UHFFFAOYSA-N 378.457 3.546 30 40 GHEB C=CCOc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br 58865950 FQMXAMHZRIVFJE-UHFFFAOYSA-N 393.233 3.768 30 40 GHEB C=CCc1ccc(OCC(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)c(OC)c1 106149870 JEPBPCIQSFCMSC-NSHGMRRFSA-N 386.536 3.666 30 40 GHEB C=CCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2218416 IAZRSEQQFDNURU-UHFFFAOYSA-N 386.411 3.701 30 40 GHEB O=C1/C(=N\N=C\c2ccc3c(c2)OCO3)c2ccccc2N1Cc1ccccc1 3342595 VBVVEVKGTLHXIY-ZKHPXSKESA-N 383.407 3.785 30 40 GHEB N#CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 15029512 QQPNKHVUCSRTJV-UHFFFAOYSA-N 392.484 3.501 30 40 GHEB N#CC1(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)CCCCC1 4221001 XRHKFSAPMMVXOM-UHFFFAOYSA-N 378.428 3.559 30 40 GHEB C=C(C)COc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 219778551 JATDZUBUVFCHQT-UHFFFAOYSA-N 377.444 3.692 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 226693875 YPNVUYNTXIEDTP-CIKNKBRWSA-N 386.451 3.797 30 40 GHEB O=C1CCCC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)c3ccccc3C1=N2 96307124 QRCWIPYHIWGVDI-QUCCMNQESA-N 388.379 3.707 30 40 GHEB C/N=C1\S/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1C 15013249 IVOHQDYMSYDGOA-MNTGGVIJSA-N 376.279 3.772 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)O)[C@H](C)CC)C1=O 5373757 UAEKGQDACOCAPD-NTVNDFENSA-N 391.514 3.952 30 40 GHEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C3SCCS3)cc2)c1 40146474 ZNILQWNYNWKALV-UHFFFAOYSA-N 396.537 3.857 30 40 GHEB N#Cc1c(SCCOc2ccccc2)nc(N2CCOCC2)c2c1CCCC2 20573372 FJMBWLKHWMUCII-UHFFFAOYSA-N 395.528 3.840 30 40 GHEB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)OCC(F)(F)F)c1 32975221 CINUWOGALSGQOV-GFCCVEGCSA-N 399.390 3.546 30 40 GHEB COCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1C[C@H]1CCCO1 4858431 HFCONGZVQUCDQO-UGNPLGLKSA-N 385.533 3.941 30 40 GHEB CC[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(OC)cc1)N(C)C 12528056 VYQDSPVVWIHTOV-KRWDZBQOSA-N 394.504 3.706 30 40 GHEB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc21 5490730 YXUWRQHQVCRGJB-ZUOKHONESA-N 396.520 3.534 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)CSc1nc2ccccc2n1C 6567094 NTQVSBIMMHQNMS-UHFFFAOYSA-N 380.473 3.621 30 40 GHEB N#Cc1cccnc1N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890496 YMXUSYWKENKFPB-QGZVFWFLSA-N 375.407 3.916 30 40 GHEB N#Cc1c(/C=C\c2ccccc2Cl)c(C(=O)O)nn(-c2ccc(F)cc2)c1=O 409198481 GNXXBAURSWGJAC-YHYXMXQVSA-N 395.777 3.765 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218405708 UDMMOBAGWUVIBG-CEXWTWQISA-N 375.877 3.826 30 40 GHEB Cc1cc(C)c2nc3c(cc2c1)CN(CCCO)/C(=N/C[C@H]1CCCO1)S3 35314480 KPVCUSPESICMSO-UGNPLGLKSA-N 385.533 3.677 30 40 GHEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccc(C)n1)C2 585106941 LSSNLTLEBQGRPC-DEOSSOPVSA-N 399.498 3.713 30 40 GHEB COCc1cc(C)nc(N/N=C/c2cc(Br)ccc2OC)c1C#N 5128109 QMPDFKKWIJKTSG-AWQFTUOYSA-N 389.253 3.625 30 40 GHEB O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 12442649 IWLXTFWFAJMSRW-HSGPEQJXSA-N 381.403 3.773 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cccc(Cl)c21 100910236 ZOWNEUCXQKDARL-VZCXRCSSSA-N 384.844 3.517 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3C[C@H]2C)n(C[C@@H]2CCCO2)c1C 8193824 PVUSWTYKDNABPX-BEFAXECRSA-N 392.503 3.545 30 40 GHEB C=CCN(C(=O)CCNC(=O)c1ccccc1C)c1nc2c(s1)CCCC2 29763107 WGUQNWVVZNZGQQ-UHFFFAOYSA-N 383.517 3.669 30 40 GHEB CCOC(=O)c1c(C)oc2c1/C(=C/NC[C@@H]1CCCO1)C(=O)c1ccccc1-2 100429789 NSZUXCORWBQNJQ-VMOJBDSFSA-N 381.428 3.738 30 40 GHEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(F)cc1 2285251 PNHUATKSTREKDG-ODCIPOBUSA-N 385.196 3.662 30 40 GHEB COc1ccc(CCNC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 6661304 VVOIZBAGTJOZIA-UHFFFAOYSA-N 385.489 3.880 30 40 GHEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409101032 OSVPCWGDRJLHDL-REZTVBANSA-N 379.166 3.820 30 40 GHEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224840346 IDCPPVPTSAMECJ-UHFFFAOYSA-N 399.390 3.858 30 40 GHEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225778015 KKGIYDBSSFMQAJ-UHFFFAOYSA-N 398.846 3.824 30 40 GHEB CCn1c2ccccc2c2cc(/C=N/Nc3ccc(S(N)(=O)=O)cc3)ccc21 12552381 YRLCHGKHKDXQCU-OEAKJJBVSA-N 392.484 3.908 30 40 GHEB C=CCSc1ccccc1NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 9313599 ARUFHSQOHUBJNY-UHFFFAOYSA-N 387.505 3.548 30 40 GHEB Cc1cnccc1OCC1CCN(c2ncc(Br)cc2C#N)CC1 2086864908 RIWARTYKQKVDCM-UHFFFAOYSA-N 387.281 3.715 30 40 GHEB Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)n2)o1 1359479 VTEZXEPLLSQBGT-UHFFFAOYSA-N 377.404 3.921 30 40 GHEB C=CCc1ccc(OC(=O)Nc2ccc(S(=O)(=O)CC)cc2)c(OC)c1 1698201 RPTJWXDUFDQJII-UHFFFAOYSA-N 375.446 3.828 30 40 GHEB N#C[C@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1 2318060 ABYQOMCFAGECSS-SFHVURJKSA-N 385.471 3.544 30 40 GHEB CC(C)c1ccc(CCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 14071699 VRXGYPYVIUXQHU-UHFFFAOYSA-N 376.504 3.652 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccncc2)c1 16736693 BWKPUNPFUUCVKR-KRWDZBQOSA-N 391.452 3.938 30 40 GHEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1O[C@@H](C)CC 409351382 SREXJJBREILKJW-AWEZNQCLSA-N 381.432 3.560 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)SC1=S 409108853 YGUCPTAZRIXQPS-BOPFTXTBSA-N 390.530 3.691 30 40 GHEB COc1ccc(C(=O)O/N=C2\CCc3c(Br)ccc(OC)c32)cc1 8116994 KGYBWBMDBZNSFD-HMMYKYKNSA-N 390.233 3.974 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)c1ccco1 675007747 MWVLXOGNPAVMQQ-HNNXBMFYSA-N 399.859 3.753 30 40 GHEB C=CCN(C(=O)Cc1ccc(-n2cccn2)cc1)c1nc2c(s1)CCCC2 40129722 QAARWDJHLWBFAA-UHFFFAOYSA-N 378.501 3.969 30 40 GHEB COc1cc2c(cc1OC)-c1cc(-c3ccc(F)cc3)c(C#N)c(=N)n1CC2 101345273 WZDPGGQSSIGFNV-UHFFFAOYSA-N 375.403 3.886 30 40 GHEB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1cccc(C#N)c1 6913412 BFGHLAJPGRHSML-LBPRGKRZSA-N 381.436 3.612 30 40 GHEB N#C[C@H](C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1 47365261 IGJZXFDZRYVVAF-MRXNPFEDSA-N 375.453 3.909 30 40 GHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 662506 RGJUWTGMWNLJRG-INIZCTEOSA-N 391.414 3.844 30 40 GHEB C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 26781468 FEACBXQMCWENHN-QYZOEREBSA-N 377.598 3.733 30 40 GHEB Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1Br 28228100 AHBNAMQHQBOXRQ-UHFFFAOYSA-N 393.310 3.713 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2F)nc2sccc2c1=O 12798231 BXQLXPIIBUSXKY-LLVKDONJSA-N 389.477 3.902 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(CC)cc2)nc2ncccc2c1=O 8734185 ZVUWOJANPBASII-CQSZACIVSA-N 394.500 3.659 30 40 GHEB Sc1nnc(COc2c(Cl)cccc2Cl)n1/N=C/c1ccccn1 18915389 XORCACFBZUVKJS-UFWORHAWSA-N 380.260 3.730 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)NC(=O)C[C@H]2c1ccccc1 4717927 CUYCJFPTSKHURM-MDOVXXIYSA-N 395.480 3.542 30 40 GHEB N#Cc1ccc(-c2ccc(OC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1 5638306 BBPDNFYNMUKIHA-UHFFFAOYSA-N 381.391 3.541 30 40 GHEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccco4)sc3C)cc21 19820247 RDHCDTXRRNRBJO-UHFFFAOYSA-N 395.440 3.875 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1cccs1 409079711 LBGFIHREOIDRCB-HMIUDANVSA-N 384.460 3.974 30 40 GHEB C=CCc1cc(C(=O)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)ccc1OC 218659655 AJOCOKHLOPSKMD-LJQANCHMSA-N 387.501 3.708 30 40 GHEB COc1ccc2nc(/C=C3\S/C(=N/c4nnc(C)s4)N(C)C3=O)ccc2c1 256055492 IQVWBUAQWGYOME-LBVWADOBSA-N 397.485 3.637 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)N3CCCOc4ccccc43)CC2)c(F)c1 588957259 QUXOEWAWQARXJQ-UHFFFAOYSA-N 379.435 3.729 30 40 GHEB N#Cc1ccsc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 40154702 QNKXQGATFXZEPB-MRXNPFEDSA-N 375.881 3.675 30 40 GHEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cnccn1 2380158 MNZJUMSXANIFDZ-UHFFFAOYSA-N 388.294 3.976 30 40 GHEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)cc1 59678399 YZVWYYQICBALQM-CYUIRQCWSA-N 396.468 3.993 30 40 GHEB C#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C#C)c2)C3=O)c1 808589 IPCKIBFFFNWETL-UHFFFAOYSA-N 390.398 3.702 30 40 GHEB COC(=O)c1ccc(/N=C2/S/C(=C/c3cccc(OC)c3)C(=O)N2C)cc1 100297108 KEBKITDAYJMTMM-UCEMORSKSA-N 382.441 3.716 30 40 GHEB Cc1cc(C(=O)C[n+]2ccc(C#N)cc2)c(C)n1-c1ccc(Br)cc1 3362612 OLARYPPOXYDMCW-UHFFFAOYSA-N 395.280 3.899 30 40 GHEB Oc1ccc(Br)cc1/C=N/c1ccc(CN2CCOCC2)cc1 22362736 FDCKRBATCZTMOG-UDWIEESQSA-N 375.266 3.738 30 40 GHEB Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2Cl)C(F)(F)[N+](=O)[O-])cc1 3466593 ZAUXRIQEYKHZSC-CQSZACIVSA-N 391.779 3.965 30 40 GHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(N(C)C)cc1 22608152 PDHJRPQHFBAXFM-QLJPJBMISA-N 391.397 3.631 30 40 GHEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c1 18196789 WEGKXGFBFPDQFS-OAQYLSRUSA-N 379.412 3.997 30 40 GHEB COC(=O)c1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1C 409083514 BFOOVEQEODGOLQ-QGMBQPNBSA-N 393.193 3.909 30 40 GHEB COc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1OC 46084888 FALKTVXRRGNYEX-HKWRFOASSA-N 381.215 3.736 30 40 GHEB CCNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 5952611 BKGQJRABJIEJPU-SRZZPIQSSA-N 377.897 3.746 30 40 GHEB O=C1/C(=N/Nc2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1 100005767 CSMQKLPCIGAZNG-BSYVCWPDSA-N 385.383 3.814 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 1060749 YFZFZTMSOIYRNK-ZKKFKWFVSA-N 397.405 3.575 30 40 GHEB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2cccc(C#N)c2)N(C)C(=O)N1C 10353528 BNFPMXRCNUOEER-LJQANCHMSA-N 396.397 3.787 30 40 GHEB COc1ccc(CCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10671997 BAURZGPFUCBONZ-UHFFFAOYSA-N 384.501 3.600 30 40 GHEB CCN1C2=C(C(=O)CCC2)C(c2cccc(OCC(=O)O)c2)C2=C1CCCC2=O 409070176 DTAANMPQWBPTPO-UHFFFAOYSA-N 395.455 3.583 30 40 GHEB C=CCn1c(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1C1CCCCC1 6078672 DYZBOVLKLZPKAH-UHFFFAOYSA-N 387.465 3.670 30 40 GHEB O=C(O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21722508 JRHQAHSZVOLPLR-OAQYLSRUSA-N 380.400 3.651 30 40 GHEB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 18195073 YGPWMCLLAWKSPE-FQEVSTJZSA-N 377.419 3.827 30 40 GHEB Cn1cc(C(=O)Nc2ccc(CC#N)cc2)c(-c2ccc3c(c2)OCCCO3)n1 15030436 VADBZTBCFRHIER-UHFFFAOYSA-N 388.427 3.567 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408811066 KYMMRKIUHZRQCR-NTCAYCPXSA-N 396.830 3.880 30 40 GHEB C#C[C@@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@@]4(C)[C@H]3C(=O)C[C@]21C 61894808 FNLAEOVBNXMZCC-MDCCVWALSA-N 386.532 3.894 30 40 GHEB CC/C(=N/OC/C=C/Cl)C1=C(O)C[C@H](C[C@@H](C)S(=O)(=O)CC)CC1=O 1569999063 GLOKEOJMCXNRJB-OTPUWXFJSA-N 391.917 3.526 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 5446080 UFHQUTZAFKAWGH-QUCCMNQESA-N 395.430 3.891 30 40 GHEB COc1ccc([C@H]2CCCN2C/C(O)=N/c2nnc(C3CC3)s2)cc1OC 19658594 NLDMOPYACGVEKP-CQSZACIVSA-N 388.493 3.858 30 40 GHEB CCOC(=O)c1c(C)oc2c1/C(=C/NC[C@H]1CCCO1)C(=O)c1ccccc1-2 100429793 NSZUXCORWBQNJQ-MTOJCTJASA-N 381.428 3.738 30 40 GHEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nncs2)cc1 12633237 NQHGMUGHPVZQIU-UHFFFAOYSA-N 399.501 3.557 30 40 GHEB N#Cc1ccc(Cc2cnc(NC(=O)CCc3ccc4c(c3)OCO4)s2)cc1 12775002 STRVWDLXFZOUIS-UHFFFAOYSA-N 391.452 3.906 30 40 GHEB CCOc1ccc2c(c1)O/C(=C\c1ccc(O[C@@H](C)C(=O)OC)c(OC)c1)C2=O 8823721 MPVAUCOSHKKNGZ-GHOUAXAESA-N 398.411 3.650 30 40 GHEB biogenic N#Cc1ccccc1COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 6322921 WFKWYVOWNQEOSU-UHFFFAOYSA-N 396.402 3.711 30 40 GHEB C=CCc1ccccc1OC[C@@H](S)CN1CCN(Cc2ccccc2)CC1 22872253 ABEOVEOPJGXRFJ-QFIPXVFZSA-N 382.573 3.910 30 40 GHEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3cc(C)ccc3C)C(=O)NC2=S)cc1 4738574 INWMHVHPCBZCNA-QQZPLFJDSA-N 379.485 3.632 30 40 GHEB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 18197882 FPBSBFFSDHVHES-GTNSWQLSSA-N 381.823 3.522 30 40 GHEB COc1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)N(C)C)cc1OC 27990757 WHPAUUZVSNESHW-HNNXBMFYSA-N 382.420 3.538 30 40 GHEB CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O 409037434 CJZZUQWKNCPQQX-UHFFFAOYSA-N 382.416 3.734 30 40 GHEB C=CCc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1O 5737019 HCIKRUDJGIRCMV-FSJBWODESA-N 380.448 3.687 30 40 GHEB CC(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(N)=O)cnn32)cc1 40288121 GHBCGTYDLQEOHE-LJQANCHMSA-N 378.476 3.764 30 40 GHEB COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 899114 BWMWYPPHXYOCKE-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2276566 VWVQHPVRQUAMJF-UHFFFAOYSA-N 385.402 3.668 30 40 GHEB CCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O 4682481 NNHNDOVQNCYCIH-COPMAWBXSA-N 395.528 3.777 30 40 GHEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 4738867 YNTWMFWLQGOJCE-XQNSMLJCSA-N 375.428 3.763 30 40 GHEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OC)c1OC(C)C 409353326 JCYYGGPFMUUVTI-UHFFFAOYSA-N 393.443 3.509 30 40 GHEB N#CCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408750682 QFYPOLKPEGJMKF-RYUDHWBXSA-N 375.475 3.741 30 40 GHEB O=C(COc1ccccc1C=C1C(=O)c2ccccc2C1=O)NCc1ccccc1 408574676 BLLGLUMAYMAORV-UHFFFAOYSA-N 397.430 3.844 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 36611345 IHYVNFZPZZFJFA-UFWORHAWSA-N 380.832 3.976 30 40 GHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@H]3[C@H](C)C=C(C)C[C@H]3C)c(O)nc12 5026825 HSDNTQVKHHCNKZ-PIJNHVNMSA-N 380.448 3.664 30 40 GHEB C[C@H]1/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@]1(C(=O)O)c1ccccc1 13638425 GZBLEGZPSIEDSO-NTVHJIEQSA-N 398.375 3.723 30 40 GHEB C#CCOc1ccc(CN2CCC(c3nnsc3-c3cc(C)no3)CC2)cc1 12224019 YZTIZQVPPGFTNC-UHFFFAOYSA-N 394.500 3.893 30 40 GHEB COc1cccc([C@@H]2CC(=O)C=C(NCCc3ccc(OC)c(OC)c3)C2)c1 100152160 RMNNNHMQGOFWKL-SFHVURJKSA-N 381.472 3.875 30 40 GHEB CCOc1cc(/C=N/n2c(SC)nnc2C(F)F)ccc1OC(F)F 2791020 JPQPEZJGHKUWIJ-FBCYGCLPSA-N 378.351 3.820 30 40 GHEB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1C#N 8709290 FIRRICIUYYSIGF-CQSZACIVSA-N 396.520 3.594 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OC)c1OCc1ccccc1 682062 ZLZYGKWNEWPCPX-CPNJWEJPSA-N 392.455 3.915 30 40 GHEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106739515 SWGAVHXGJANFDR-BOPFTXTBSA-N 395.396 3.734 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 5183731 ORUBIOYKLBIVBS-OAQYLSRUSA-N 382.533 3.898 30 40 GHEB O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1 13940134 RCTBJRYWQGUIHC-CAOOACKPSA-N 385.361 3.778 30 40 GHEB CO/N=C/C(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 5248304 QYKUNSVUWFMPOT-KEBDBYFISA-N 380.231 3.819 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccccc1C 6760154 VPFNNEWMEMIUJD-UHFFFAOYSA-N 393.443 3.647 30 40 GHEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 20673953 AFEFQCFSCBVSFP-GOSISDBHSA-N 390.487 3.633 30 40 GHEB Cc1cnc(C2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)s1 507615121 FTRHVJMLGNLVDK-UHFFFAOYSA-N 380.395 3.757 30 40 GHEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OCC)cc1 224600184 SKYCVVAPRHZHST-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB N#Cc1cc2c(nc1N1CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C1)CCOC2 572333086 CLZORHQUJVQPJU-CVDCTZTESA-N 388.515 3.517 30 40 GHEB C/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1C 105789584 OLOOPTLNDALVOP-DLPJZNJTSA-N 380.684 3.535 30 40 GHEB C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 26964681 BFMDDLPPSKVHHL-OEAKJJBVSA-N 375.501 3.832 30 40 GHEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cs1 10133908 RCUNWYNJDSJWRL-SECBINFHSA-N 383.832 3.718 30 40 GHEB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 58932124 DZVPWZCIXPUPFZ-QGZVFWFLSA-N 397.953 3.635 30 40 GHEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(F)c1 5095476 DTEZKOCMQQTALD-AWEZNQCLSA-N 385.464 3.832 30 40 GHEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5576768 TWDRJPSIGWDSKC-LFVOPCPISA-N 398.890 3.713 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 5800545 YJSASKFIJNBYRF-IBGZPJMESA-N 390.395 3.775 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1ccccc1 7738228 HZDKTEVZTULIGK-INIZCTEOSA-N 397.500 3.833 30 40 GHEB N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 618852853 XUXRXCHRPYRJBY-PMACEKPBSA-N 398.470 3.877 30 40 GHEB O=C1CS/C(=N\N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)N1 5630760 WTBPTNYOMQCAGG-DNTJNYDQSA-N 377.828 3.611 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)cc1 12599134 JOKBFIFZAIKKMA-UHFFFAOYSA-N 394.525 3.701 30 40 GHEB CCOc1ccccc1-c1nnc(/N=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 19927186 XDVGJMKBOVMDRH-UHFFFAOYSA-N 399.319 3.588 30 40 GHEB COc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 20947445 YPNZWRQRFIEJAZ-HXUWFJFHSA-N 381.451 3.918 30 40 GHEB COc1ccc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1OC 102160368 INLVXAKYZYCPMU-FYJGNVAPSA-N 395.455 3.741 30 40 GHEB N#CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 8126384 NCPBWPDSPHOUPP-UHFFFAOYSA-N 391.452 3.806 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccccc3)c2c1=O 8401725 RFBAHCQYSVVSNU-GFCCVEGCSA-N 386.498 3.965 30 40 GHEB CCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](C)CC1=O)N2 22608505 SVSOUUCYNXOCNH-QFYYESIMSA-N 385.449 3.566 30 40 GHEB C=CCn1c(CCN2CCCCC2)nn(CN2CCc3ccccc3C2)c1=S 39996927 UOARZCWWXBITTG-UHFFFAOYSA-N 397.592 3.644 30 40 GHEB CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC 5367198 JTTXCRZQGNQFOS-PABFRNLHSA-N 394.427 3.549 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2F)no1 6428307 PVSZHJRLWWXDMC-QGZVFWFLSA-N 382.347 3.806 30 40 GHEB CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(C)c(C)c2)cc1 9882277 DTTRIINRGYSRJB-UHFFFAOYSA-N 380.444 3.806 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC(O)(c3cccc(C)c3)CC2)cc1OC 12325323 HWJBGLCVNNMNON-UHFFFAOYSA-N 381.472 3.692 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc2c1OCCO2 32831748 CRLKPNHTAZLWHP-RUDMXATFSA-N 396.443 3.892 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 102497317 FXOWEBIYZDYCTR-WOOAAIBNSA-N 398.890 3.632 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1O)c1c(O)n[nH]c1N2 18196967 LGZNPSPXOMMPHM-QLJPJBMISA-N 379.441 3.841 30 40 GHEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c1 18196791 WEGKXGFBFPDQFS-NRFANRHFSA-N 379.412 3.997 30 40 GHEB Cc1cccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3F)S2)c1 5900999 IYBUNFPSZSMDGQ-HNNXBMFYSA-N 375.400 3.521 30 40 GHEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 408968229 XJMSMAKFINLEAC-XKZIYDEJSA-N 383.473 3.501 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)C(C(=O)OCC)=C(C)N2 9569613 TYWBKMRYCXBOQP-MRXNPFEDSA-N 397.500 3.751 30 40 GHEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(OC(C)C)c1 409144565 LPQDYBQMMPQHAS-JSFTYKHLSA-N 396.487 3.792 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1C 408591447 TVNABFFHSFGBMM-DXKXHECNSA-N 387.483 3.934 30 40 GHEB CC(C)Cc1ccccc1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 598982945 ULBYFRQFDZNJDT-UHFFFAOYSA-N 391.519 3.620 30 40 GHEB N#CCCN/N=C(/Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 6025740 WTFWFBHRFSIZLU-ULJHMMPZSA-N 382.265 3.775 30 40 GHEB COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)c(OC)c1 100260866 SXCDTZMKQYDVIW-KQHCDTJNSA-N 398.440 3.636 30 40 GHEB N#Cc1ccccc1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 7310297 YIOJWFFFYGEEFE-UHFFFAOYSA-N 384.391 3.693 30 40 GHEB CCCOc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccccc1 2166212 SFUAFTWKJKAXES-LDADJPATSA-N 397.294 3.550 30 40 GHEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 12729697 JVVXSGXWSTYVLT-UHFFFAOYSA-N 390.892 3.637 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 8565365 HWNLPFWHQYQDDJ-OAHLLOKOSA-N 383.448 3.752 30 40 GHEB O=C(NC1=C(N2CCCCCC2)C(=O)c2ccccc2C1=O)c1cccs1 5523973 FJVOIXCWWHPEOY-UHFFFAOYSA-N 380.469 3.645 30 40 GHEB N#Cc1ccc(CN2CCCN(C(=O)CCc3ccc(O)c(Cl)c3)CC2)cc1 96004277 MSOPRPKSXSVTCN-UHFFFAOYSA-N 397.906 3.584 30 40 GHEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccco4)n3)cc21 19820195 VKWSCGGWAQLJFI-UHFFFAOYSA-N 381.413 3.567 30 40 GHEB C[C@H]1CN(C(=O)c2ccc(CNc3c(F)cc(C#N)cc3F)cc2)C[C@@H](C)O1 60320167 SSLVLAVIFGQQIJ-OKILXGFUSA-N 385.414 3.698 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(OCc2cc(OC)ccc2OC)cc1 408863640 UAGSIPOHZNBXCO-CIAFOILYSA-N 398.488 3.608 30 40 GHEB C(=N\Nc1nnc2c3cccnc3c3ccccc3c2n1)\c1ccc2c(c1)OCO2 31760233 MHHCSXXUYYBLAJ-MYKKPKGFSA-N 394.394 3.901 30 40 GHEB CCOc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cc1 32751576 HAQDSLUNVCBZNU-OAQYLSRUSA-N 381.476 3.758 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c([N+](=O)[O-])c1 100084133 PWOLCELAAVSXLD-CALCHBBNSA-N 391.383 3.938 30 40 GHEB C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 4955066 QTZOBSDLLWUIKM-CZCKJXPVSA-N 386.408 3.588 30 40 GHEB C=CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1 12322899 QNBPOXOTPKKUTN-ZDUSSCGKSA-N 383.379 3.847 30 40 GHEB Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(C(C)C)CO2 54313631 IKNOHOSBAAMTNR-GXHLCREISA-N 379.412 3.900 30 40 GHEB CCOc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608251 OENGJXLOGXUQQD-QFYYESIMSA-N 392.381 3.964 30 40 GHEB COc1cccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1OC(F)F 5335869 YCYUZQYSFIIDEI-FNORWQNLSA-N 375.327 3.524 30 40 GHEB N#Cc1nnc2ccccc2c1N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 95993067 KVKYNEUFCVMKPI-MRXNPFEDSA-N 381.443 3.671 30 40 GHEB C#CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cccc(OC)c21 100910096 OAIMHSXPFYTGFT-VZCXRCSSSA-N 379.466 3.695 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 101231659 JCKCRJIJTRLFOA-NHFXJNLRSA-N 393.439 3.620 30 40 GHEB Cc1nc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 31256028 ODKCAGVJUZZNEE-UHFFFAOYSA-N 381.505 3.686 30 40 GHEB N#Cc1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCCCC2 3216090 VVLWHUVLOBWKBC-UHFFFAOYSA-N 383.502 3.662 30 40 GHEB C=CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC 6170139 HFEJDRVEBHWQPZ-UHFFFAOYSA-N 382.529 3.753 30 40 GHEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59250135 WGHBJAXYPGCFFC-SSDVNMTOSA-N 378.384 3.947 30 40 GHEB N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)sc2c1CCCC2 5027288 PDWKGEHJBNHUNK-LBPRGKRZSA-N 383.448 3.629 30 40 GHEB COCCCNC(=O)c1c(NC(=O)c2cccc(C#N)c2)sc2c1CCCC2 12796645 MMODFXWQISLHIX-UHFFFAOYSA-N 397.500 3.517 30 40 GHEB C=CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 3466462 FVYDFYKFQNBYNU-UHFFFAOYSA-N 399.541 3.517 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1 3563038 WTDKFFIKQDXXNA-UHFFFAOYSA-N 394.456 3.591 30 40 GHEB COc1ccc(/C=N/Nc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)cc1 4690028 HQUJOQDDRONKMS-CIAFOILYSA-N 378.823 3.899 30 40 GHEB COc1ccc(/C=N/Nc2ccccc2C(=O)O)cc1COc1ccccn1 4792834 YFXHCIDZQMVPNC-YDZHTSKRSA-N 377.400 3.813 30 40 GHEB COc1ccc(/C=N\OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 4862878 UALJPIUHOGZNOO-YVNNLAQVSA-N 393.472 3.777 30 40 GHEB Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408536181 QDPPSHVUFAFYKL-HNNXBMFYSA-N 389.333 3.615 30 40 GHEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C1=O 409104271 CFCKQIYXMZZXSZ-IZZDOVSWSA-N 388.228 3.679 30 40 GHEB C=CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1 46058459 PNOGXSBVUFZMNJ-UHFFFAOYSA-N 386.498 3.642 30 40 GHEB CCCCN=C1S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 2032946161 MSSPDEHKDPSLJC-KRWDZBQOSA-N 391.537 3.924 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)no1 6908747 CQSPGVSAPQEVNI-GOSISDBHSA-N 378.359 3.905 30 40 GHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 5901089 KPEAYAPUFVLCFZ-LPXFMOJISA-N 398.411 3.650 30 40 GHEB biogenic CC1(C)Cc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C#N)C(C)(C)N1 9521542 ZLQIDCBLJJOSGU-UHFFFAOYSA-N 397.500 3.689 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 102860960 DIXXKJCPRYCHKN-SELCWUDQSA-N 385.485 3.940 30 40 GHEB C=C(C)CN(CC)c1nc(N)c(C#N)c([C@@H](C#N)Cc2ccccc2F)c1C#N 24631327 GVXWHDRBOZFZCQ-MRXNPFEDSA-N 388.450 3.799 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 9361245 DVDPJVLXKDRKAQ-KAOXLYBCSA-N 391.430 3.879 30 40 GHEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C#N 5752858 QJZUAEKUUQYEPI-SECBINFHSA-N 399.255 3.876 30 40 GHEB O=C1/C(=N\c2ccc(O)cc2)C(n2nnc3ccccc32)=C(O)c2ccccc21 9065375 CEQGRPYHEZHDIT-NMWGTECJSA-N 382.379 3.990 30 40 GHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 5900966 PROWUKAGOLHNHA-LRXPYSHVSA-N 392.407 3.952 30 40 GHEB biogenic Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C(F)(F)F)C2=O)cc1 408537488 VRPDZLATYHVAFH-CYBMUJFWSA-N 389.333 3.615 30 40 GHEB Cn1c([C@@H]2CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21 72314356 SLKOKZHYIFKTLI-IBGZPJMESA-N 393.878 3.874 30 40 GHEB Cc1nnc([C@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)o1 89736269 QREXSSUZGFPRFT-HXUWFJFHSA-N 388.427 3.806 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408803282 NFCPPPYIUQLUOW-QGOAFFKASA-N 376.412 3.535 30 40 GHEB CN(c1ccc2sc(C(=O)Nc3ccc(CC#N)cc3)cc2c1)S(C)(=O)=O 226090929 PRONRYCPLDMYFL-UHFFFAOYSA-N 399.497 3.615 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)OCc3ccccc3)c(=O)c21 12113492 SAWLDXZCUAWDTI-UHFFFAOYSA-N 393.468 3.651 30 40 GHEB C#Cc1cccc(NC(=O)CNC(=O)c2sc(-c3ccsc3)nc2C)c1 40151966 PRSGRSVYKVYBGI-UHFFFAOYSA-N 381.482 3.530 30 40 GHEB O=C1/C(=N/Nc2ccccc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 101441464 DMEKDUXCVCATBB-BSYVCWPDSA-N 385.383 3.814 30 40 GHEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102878896 YUIHLWNLWYYZRY-VCJOYTQFSA-N 397.858 3.941 30 40 GHEB Cc1cc(NC(=O)COC(=O)c2ccc(C#N)cc2F)ccc1Br 8336196 ZRMINRVVHUHDHE-UHFFFAOYSA-N 391.196 3.564 30 40 GHEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/C=C/c3ccccc3)NC2=O)cc1 12566808 GUNAINMKOZOFCH-QBSPSZHBSA-N 392.484 3.610 30 40 GHEB N#CCc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 12760083 IYVCDGKZUDFVCC-UHFFFAOYSA-N 386.455 3.831 30 40 GHEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2318000 FVZBACXBNRJHTD-KRWDZBQOSA-N 379.508 3.924 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408798529 FWZZQCBIFKBKBV-GHRIWEEISA-N 376.412 3.535 30 40 GHEB CCN1CCN(c2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)CC1 5150836 AEQJOTROIMHRGC-UHFFFAOYSA-N 388.471 3.934 30 40 GHEB CCCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(N)OC2=C1C(=O)CCC2 6310754 FMADZWLYLGJEBY-SFHVURJKSA-N 385.460 3.720 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 4814771 ZKDHUGUPHRVLLY-AWEZNQCLSA-N 399.545 3.939 30 40 GHEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 5931417 ZGOMWVPFIFNXRE-XHDPSFHLSA-N 382.489 3.620 30 40 GHEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32507933 VCQYADFCGPPAJC-YTLYVFJMSA-N 394.562 3.602 30 40 GHEB COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2cccc(C#N)c2)C3)c1 96046647 ZNSZPEHRMZPPHY-UHFFFAOYSA-N 389.499 3.695 30 40 GHEB N#Cc1c(O)nc(N2CCN(c3ccccc3)CC2)nc1-c1ccc(Cl)cc1 17080040 ZKRHHBUGETVFFP-UHFFFAOYSA-N 391.862 3.701 30 40 GHEB COc1cc2nc3c(C#N)cc4cc5cccc(C)c5nc4n3c(=O)c2cc1OC 3182745 CQLGJIOQRTWNQP-UHFFFAOYSA-N 396.406 3.746 30 40 GHEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 96336437 DKWDAOZQOZYJGL-INIZCTEOSA-N 392.238 3.564 30 40 GHEB CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(C#N)cc3)nc12 5115607 YLRBBISBFNCKPU-UHFFFAOYSA-N 394.500 3.775 30 40 GHEB N#Cc1ccc(Cc2cnc(NC(=O)c3cnccn3)s2)c(C(F)(F)F)c1 40110806 QJMQKZWAPMMVCX-UHFFFAOYSA-N 389.362 3.667 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1cccs1 1019489 DRTFUKZFEVUWTL-PBHICJAKSA-N 387.432 3.645 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)CSc2nncn2-c2ccccc2)cc1 3452657 DDNSIDGXPQVGRV-UHFFFAOYSA-N 377.473 3.615 30 40 GHEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N2c3ccccc3CC[C@H]2C)cc1 25009223 FDPZAUAVICSZGL-DSDXLYQOSA-N 379.460 3.754 30 40 GHEB Cc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1nc(=O)[nH]nc1C 4422775 HWOKZFNIJFIIDO-ZMOGYAJESA-N 399.454 3.960 30 40 GHEB COc1cc(/C=N/n2c(-c3cc(-c4ccccc4)n[nH]3)n[nH]c2=S)ccc1O 5625599 KPNMGDWQZSUTAD-RGVLZGJSSA-N 392.444 3.594 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225083251 SJDNKXPTCQPQNK-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB COc1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 95482058 JYJJFUKCEOBSOU-CAOOACKPSA-N 381.182 3.831 30 40 GHEB COc1ccc(CCC(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1 90610467 AHHHYASPZTZAED-UHFFFAOYSA-N 391.389 3.845 30 40 GHEB COc1ccc(/C(N)=N/OCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 63455788 AYDRLETZNLXALD-UHFFFAOYSA-N 393.230 3.889 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccco1 19973783 YUDQKQQDBKCEPG-FQEVSTJZSA-N 396.487 3.898 30 40 GHEB CC1=CC(=O)[C@@H](C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)C(=O)O1 102598454 PPGYJHHYLHEGLT-WOMSROEHSA-N 379.195 3.540 30 40 GHEB C=C1[C@H](C(=O)Nc2ccc(OCC)cc2)[C@H]1C(=O)Nc1ccc(OCC)cc1 1462534 BHNLUNHGDVNJGF-PMACEKPBSA-N 380.444 3.863 30 40 GHEB N#Cc1cn(CC(=O)N2CCc3ccccc32)c2ccc(Br)cc12 59109389 HBMXZVDXYUIYIH-UHFFFAOYSA-N 380.245 3.865 30 40 GHEB COc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1O 8322620 DAEQDUPNYKMHIB-KRXBUXKQSA-N 380.181 3.902 30 40 GHEB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c(C)oc(-n2cccc2)c1C#N 12913042 NPCKNBUZICIQHH-UHFFFAOYSA-N 393.443 3.930 30 40 GHEB N#Cc1c(Cl)nsc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 63255573 KMBRESYBZURQMH-UHFFFAOYSA-N 377.853 3.557 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc2c(c1)OCO2 4048004 VLEOLWURHUNZFV-ZVBGSRNCSA-N 379.376 3.572 30 40 GHEB O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc2c(c1)OCO2 14242774 OPWPFLTZEQZVDF-FNORWQNLSA-N 388.423 3.696 30 40 GHEB COc1c(O)ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1[N+](=O)[O-] 408720603 ACKQDSQMIUWGED-RGVLZGJSSA-N 378.344 3.967 30 40 GHEB C[C@H](C1CC1)n1nccc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 529069868 OMUGVLWFAMXJHS-OAHLLOKOSA-N 379.464 3.553 30 40 GHEB Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C#N 598091627 VPDQYIYCTXCBHC-HUUCEWRRSA-N 379.489 3.667 30 40 GHEB COc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1 102532082 NOOQLZDJJVOQJU-YDJIHCHBSA-N 389.407 3.910 30 40 GHEB COc1cc(OC)c(/C=N/Nc2nc3ccccc3[nH]2)cc1Br 59486855 GDDRCQYIIULEHH-GIJQJNRQSA-N 375.226 3.789 30 40 GHEB COc1ccc(-c2ccc(/C=N/NCc3ccccc3OC)o2)c([N+](=O)[O-])c1 20761822 BAOHBRBRCHMGGT-LPYMAVHISA-N 381.388 3.996 30 40 GHEB COc1ccc(C)cc1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 12737553 DTTYNSCXBGQLMY-UHFFFAOYSA-N 383.517 3.886 30 40 GHEB Cc1ccc(-c2csc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)s1 11514059 LSOZGHHMMWYHON-UHFFFAOYSA-N 398.513 3.928 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(CC)cc2)nc2ncccc2c1=O 8734186 ZVUWOJANPBASII-AWEZNQCLSA-N 394.500 3.659 30 40 GHEB COc1ccc(CC/N=C(\S)NC2CCN(Cc3ccccc3)CC2)cc1 6566467 DVXAOTCGCJNNQD-UHFFFAOYSA-N 383.561 3.778 30 40 GHEB CN(CCOc1ccc(Cl)cc1)CC(=O)N(CCC#N)c1ccccc1F 6977063 UYEPDNOMSMQOCF-UHFFFAOYSA-N 389.858 3.737 30 40 GHEB O=C1Oc2ccccc2C(=O)/C1=C\N[C@H]1C[C@@H](C(F)(F)F)Oc2ccccc21 1547200894 NPNNIPDRPJBDPS-VOORUYIGSA-N 389.329 3.717 30 40 GHEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2c1CCC2 33751439 JMVDKMUMFZIGHV-UHFFFAOYSA-N 384.530 3.817 30 40 GHEB Cc1ccc2cc(C#N)c(NCCCNC(=O)c3ccc(F)cc3F)nc2c1 35312920 DSZOPIBHKJEDMH-UHFFFAOYSA-N 380.398 3.925 30 40 GHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223266682 RSKOSQVJWZXUPP-JOCHJYFZSA-N 394.515 3.737 30 40 GHEB N#Cc1cccnc1OC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 96119303 CNBAIJJTUIYXHJ-UHFFFAOYSA-N 391.349 3.535 30 40 GHEB CC(C)(C)c1cn2nc(N3CCCN(Cc4ccc(C#N)cc4)CC3)ccc2n1 2087045447 JZXSMMKWBZTCGT-UHFFFAOYSA-N 388.519 3.611 30 40 GHEB COc1ccccc1N/C(S)=N\[C@@H](C)[C@@H](c1cccs1)N1CCOCC1 13878790 GNMFRKIFUKWMBP-KSSFIOAISA-N 391.562 3.916 30 40 GHEB N#Cc1ccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)cc1 32441874 ZLZJBCZFMXBMLY-UHFFFAOYSA-N 392.480 3.754 30 40 GHEB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccco2)ccc1C#N 12250982 OQGJIUVUNRJAGQ-UHFFFAOYSA-N 393.424 3.731 30 40 GHEB COc1ccc(N2C(=O)C(Cl)=C(Sc3nc(C)cc(C)c3C#N)C2=O)cc1 954877 NWZPCTMJEFOSEQ-UHFFFAOYSA-N 399.859 3.695 30 40 GHEB COc1cccc(NC(=O)C[C@@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)c1 18285757 MRORRVXDFCOMAD-KRWDZBQOSA-N 383.473 3.560 30 40 GHEB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCCC#N)c2C1 8008205 BAQHPPPTOOUIFF-OAHLLOKOSA-N 393.487 3.572 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(N(C)C)o2)C1=O 409005108 ZFDDIXYVWAGRGU-QINSGFPZSA-N 384.457 3.889 30 40 GHEB CCOc1ccc(/C=N/OC(=O)c2ccccc2I)cc1 1093022 IAXUGYXNGXKNSJ-WOJGMQOQSA-N 395.196 3.881 30 40 GHEB C#CCOc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384881 MVDFGCFDAXSZAF-KOEQRZSOSA-N 379.419 3.958 30 40 GHEB O=C(C[C@@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccccc1Cl 17242724 ANCTXZFYEPGYKA-AWEZNQCLSA-N 378.885 3.576 30 40 GHEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(C)=O)C1 19016922 STDKYZWBNVYLPU-DEOSSOPVSA-N 376.500 3.827 30 40 GHEB C=CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC)C1 19498653 VVRBCKINRKRAFZ-DEOSSOPVSA-N 391.515 3.612 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc(Br)cc2)cc1 102800847 FQJVSXUSLZJKAZ-UYTDBDHRSA-N 386.245 3.809 30 40 GHEB CC1(C)[C@@H]2CC=C([C@@H]3O[C@]45CCCC[C@H]4C(C#N)(C#N)[C@@]3(C#N)C(=N)O5)[C@H]1C2 100787951 QKOHRCZMOIYJBF-MOWGJFSGSA-N 376.460 3.815 30 40 GHEB C=CCOc1ccc(CN(C)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 12810919 JISPTKAPYXDRPI-HXOBKFHXSA-N 399.535 3.778 30 40 GHEB Cc1ccc(C)c(NC(=O)CN2C(=O)CS/C2=C\C(=O)c2ccccc2C)c1 5476211 TYENIXBANVFWAS-JJFYIABZSA-N 394.496 3.850 30 40 GHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 5825962 PXLGCPSPTBXNRX-PXNMLYILSA-N 384.384 3.644 30 40 GHEB biogenic C=C(Cl)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 7563061 YDMPSZQCCADPBT-UHFFFAOYSA-N 387.914 3.612 30 40 GHEB O=C1N/C(=N\N=C\c2ccccn2)S[C@@H]1Cc1cccc(SC(F)F)c1 9317762 CIZCEUDVSNCUDP-YVJZOELXSA-N 392.456 3.561 30 40 GHEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(F)cc1 224923205 KQHNFXCHLZRWSI-UHFFFAOYSA-N 377.437 3.692 30 40 GHEB COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242688094 VFQWTRVRDPSFET-KZNAEPCWSA-N 379.840 3.575 30 40 GHEB Cc1nsc(NC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)c1C#N 592258021 NEMWVEHCNSYJAD-CYBMUJFWSA-N 380.832 3.721 30 40 GHEB N#CCCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 5878332 CNMUQIDFLWQYMJ-ZDUSSCGKSA-N 389.546 3.912 30 40 GHEB CCOc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 5861927 VHIGOONZVZPYSG-UHFFFAOYSA-N 394.814 3.698 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 2796190 BEUSUNLRLFFERK-IBGZPJMESA-N 384.432 3.906 30 40 GHEB COc1cccc(C(=O)[C@@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 103503083 ITRYREJMAHDFPW-GOSISDBHSA-N 377.375 3.534 30 40 GHEB CCn1nc(C(=O)N2CCCS/C2=N\c2ccccc2)c2ccccc2c1=O 12538694 HPFMBROIWMOPRL-DQRAZIAOSA-N 392.484 3.683 30 40 GHEB CCCCCCCCCCCCN(CCOCCO)C(=O)CCCC(=O)O 100924221 YQHBZVYIYBKMPX-UHFFFAOYSA-N 387.561 4.000 30 40 GHEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccccc1F 2270185 HFQMMDSQZQGORF-ODCIPOBUSA-N 385.196 3.662 30 40 GHEB C[C@H](C(=O)Nc1sccc1C#N)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8728625 ABPCOVJZOJIIAR-CZUORRHYSA-N 383.473 3.555 30 40 GHEB C=CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)s1 8935913 XDCQFACKGDKWJL-UHFFFAOYSA-N 391.924 3.730 30 40 GHEB C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(CC)cc1 4704079 PCUCDWXLBACHHG-FQEVSTJZSA-N 391.471 3.909 30 40 GHEB N#Cc1c(O)nc(SCC(=O)OC2CCCC2)nc1-c1ccc(Cl)cc1 15859828 HPIDDQDCTIOBCQ-UHFFFAOYSA-N 389.864 3.952 30 40 GHEB COc1cc2c(cc1C)/C(=N/OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCC2 16102357 FZYUIFBGKDXSPH-LVZFUZTISA-N 399.359 3.717 30 40 GHEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953227 GLMXABNJPFKULA-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB CCn1ncc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)c1C 225394010 VCBXNTYYVILZNS-GQCTYLIASA-N 387.233 3.976 30 40 GHEB C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1nccn1C 596900545 PZHIHTAREYKDMC-CQSZACIVSA-N 391.479 3.658 30 40 GHEB COc1cc(/C=N\Nc2nc3c(s2)CCCC3)cc(Br)c1O 31854629 BMGLGCYNCWRKKU-IUXPMGMMSA-N 382.283 3.945 30 40 GHEB C/C(=N\OCC(=O)N[C@@H]1CCCC[C@H]1C)c1nc2ccccc2n1C(F)F 22200696 JLPYTQIWROQDPN-BMQINPDRSA-N 378.423 3.867 30 40 GHEB Oc1ccc(Br)cc1/C=N/n1cnnc1SCc1ccccc1 940339 KFOFQWLFHHXERO-DJKKODMXSA-N 389.278 3.921 30 40 GHEB CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O 2227190 OKVIEVNSVMZVKN-WLDAGKKMSA-N 380.517 3.997 30 40 GHEB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2cccc(C#N)c2)cs1 12745204 OPBCTWIDNVLRDG-UHFFFAOYSA-N 375.453 3.958 30 40 GHEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccc(F)cc1)n1ncnc1N2 9042414 GGZIOZHHWPZWLN-XCLFUZPHSA-N 376.391 3.539 30 40 GHEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 4427268 OFNGAAZNALFDGZ-GHNGSUTGSA-N 399.830 3.627 30 40 GHEB C=CCn1c(C)cc(C(=O)COc2ccc(Br)cc2CO)c1C 6654074 PNXRQFUFNQJRCP-UHFFFAOYSA-N 378.266 3.807 30 40 GHEB C#CC(CC)(CC)NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 7975767 KRLJCVAQOJPXDN-UHFFFAOYSA-N 384.549 3.833 30 40 GHEB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)N(C)CCC#N 72314811 UJHIZYASUAKIEJ-AWEZNQCLSA-N 385.489 3.764 30 40 GHEB COc1cc(OC)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 408590240 OIBJBOLOOFXLSQ-CAOOACKPSA-N 380.744 3.620 30 40 GHEB C/N=C1\S/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C(=O)N1C 408540564 ABNZQIRKBCIXIF-GUQFLQMXSA-N 395.440 3.513 30 40 GHEB CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F 2301774 QFLKFRPNISNYBS-UHFFFAOYSA-N 390.231 3.952 30 40 GHEB biogenic CN1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N/c1ccc(C(=O)O)cc1 408797603 SNOXDPCXYLSXJW-RORPNGENSA-N 393.424 3.521 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218406748 UBBKURRLBHUXDA-CEXWTWQISA-N 375.877 3.826 30 40 GHEB N#Cc1cccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 44532451 BCHXPENCVCXDIY-UHFFFAOYSA-N 381.233 3.818 30 40 GHEB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 4088949 LLTHFDOHWNEJKW-FYJGNVAPSA-N 385.489 3.728 30 40 GHEB Cc1cc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)no1 4917608 QAXHWOYSUBZLAF-UHFFFAOYSA-N 393.424 3.801 30 40 GHEB N#Cc1ccccc1OCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7734789 JBURERXJHKXIOV-UHFFFAOYSA-N 378.428 3.637 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1 40082175 FXAGLIQGDHIUAH-CQSZACIVSA-N 387.443 3.774 30 40 GHEB Cc1sc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c(C#N)c1C 869020 XKQKUOCMEUTAQB-UHFFFAOYSA-N 397.529 3.687 30 40 GHEB CC(C)OC(=O)c1ccc(CCC2=CC(=O)C(Br)=CC2=O)cc1 1650092 ZFNBSVGEBQKXEG-UHFFFAOYSA-N 377.234 3.541 30 40 GHEB C(=N/NC1=NCCCCC1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3215056 NYVVCGLVMJILRF-DCUGWFEXSA-N 378.520 3.998 30 40 GHEB CCOc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)ccc1OC 58376861 YOKPCCQBCXWJRX-UHFFFAOYSA-N 387.816 3.580 30 40 GHEB C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)NC1(C#N)CCCCC1 10563453 CFCPODTZVOTGQA-INIZCTEOSA-N 396.443 3.747 30 40 GHEB N#Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 59387290 XLHDIKRHRVGWLI-SFHVURJKSA-N 390.405 3.981 30 40 GHEB N#Cc1cccc(NC(=O)COc2cccc(-c3nnc4n3CCCCC4)c2)c1 12931435 RJXCMQLHKBQOMX-UHFFFAOYSA-N 387.443 3.561 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(C(=O)O)c1 4048000 DUEWEVXFMNFKQJ-UFFVCSGVSA-N 379.376 3.542 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1O 18197165 REHCFXJRFJJHOW-OAQYLSRUSA-N 381.428 3.983 30 40 GHEB CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/NOCc1ccccc1 8828921 LLBPKAIWBYHSTJ-UHFFFAOYSA-N 398.488 3.920 30 40 GHEB Cc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C 408740335 FPARMHFWTYAFHX-SBUZPKSBSA-N 385.876 3.723 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)Cc1ccccc1Cl 40112033 QFZAEWJSSLYFMD-CYBMUJFWSA-N 395.894 3.551 30 40 GHEB N#Cc1cnn2cc(CN3CCC(c4ccccc4Br)CC3)cnc12 580075598 QCUPWFCRVHRGNK-UHFFFAOYSA-N 396.292 3.743 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O 664798 ABMOQGAFISQPOW-IWQAVIMZSA-N 379.254 3.705 30 40 GHEB COCc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)oc2ccccc12 5200477 WNSHIHXPBOPXJY-UHFFFAOYSA-N 392.411 3.683 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2cccs2)o1 575608030 HWQLUHMEDMCXEE-UHFFFAOYSA-N 385.832 3.788 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)Nc1nonc1N2 12408558 BETPWRJQEJECOB-DIFFPNOSSA-N 380.429 3.816 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OC 882640 JVYNIYXDCJUKBB-LJQANCHMSA-N 375.424 3.827 30 40 GHEB Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC#N)n2n1 2969465 SPRAFOJFAGXPBR-UHFFFAOYSA-N 399.483 3.794 30 40 GHEB N#Cc1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12772481 NWRKAIGEKMUPBT-UHFFFAOYSA-N 377.444 3.670 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1 6275812 GIMPLZPURNPZQT-UHFFFAOYSA-N 387.333 3.996 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Br)s1 18196014 ZPZOLSHXMYILAC-ZDUSSCGKSA-N 379.283 3.760 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(C)cc2)cc1 6813211 HIUVTQPYGXESES-NHFXJNLRSA-N 393.439 3.590 30 40 GHEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409009846 ISKOAHAQKIZPAZ-LDADJPATSA-N 393.439 3.625 30 40 GHEB C=CCOc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 225743977 FHIFSPXSSAZBKW-UHFFFAOYSA-N 381.545 3.986 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224872450 VFYYISWTZHPRMW-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB COC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 3147983 MAOYKCKVXIZIQA-CAOOACKPSA-N 379.166 3.600 30 40 GHEB N#Cc1cnc(N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c(Cl)c1 1889125127 CLPFURPPYKUKBB-SWLSCSKDSA-N 393.800 3.736 30 40 GHEB CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)c(C(=O)O)c1 100260935 MQVVJKKZTFPKDR-NPQTWSAXSA-N 388.832 3.978 30 40 GHEB O=C(C[n+]1ccc(Cc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4893552 QHLZKSDHCIBAEQ-UHFFFAOYSA-O 382.827 3.765 30 40 GHEB CC(C)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccs1 58209626 ROAAOMOWKWTOBI-LJQANCHMSA-N 379.489 3.731 30 40 GHEB O=C1COc2ccc(C(=O)/C=C/c3cc(Br)ccc3F)cc2N1 12937744 HJNLKOJCHSFIOD-ORCRQEGFSA-N 376.181 3.815 30 40 GHEB Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200637 BTHWJZMYYVXPRQ-APPDUMDISA-N 397.891 3.991 30 40 GHEB Cn1ncc(-c2nn3c(C(F)(F)F)c(C#N)cnc3c2Cl)c1C(F)(F)F 8873144 HTPKKXKQXUJIDJ-UHFFFAOYSA-N 394.666 3.692 30 40 GHEB CCN(CC)P(=O)(/C(=N/Nc1ccc([N+](=O)[O-])cc1)N(C)C)N(CC)CC 4772777 HZZPQHFDLRFTSU-HTXNQAPBSA-N 398.448 3.716 30 40 GHEB C=CCNC(=O)Nc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1 6793363 DJFUYDRMRFQVDW-UHFFFAOYSA-N 379.460 3.599 30 40 GHEB CCOC(=O)c1c(/N=C\c2ccc3c(c2)n(C)c(=O)n3C)sc2c1CCCC2 409078831 DHTQIXYLNLWFOC-UUYOSTAYSA-N 397.500 3.745 30 40 GHEB Cc1cc(C(=O)O)ccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409097581 MPQWJJFXKGKNEG-REZTVBANSA-N 379.166 3.820 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C(=O)NC1=S 208512937 IHZZSNOMIVMURK-ATVHPVEESA-N 395.528 3.521 30 40 GHEB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=O)c3ccccc32)cc1 1433813 WHRVFWDCBCUYOH-QQNJPBSNSA-N 393.442 3.745 30 40 GHEB biogenic CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2cccc(O)c2)cc1 11915279 VPQDEIWGHUQAHG-LJQANCHMSA-N 381.428 3.635 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 102799337 ODLXFDZFCDNXJH-LFVOPCPISA-N 383.444 3.780 30 40 GHEB C=CC/N=C1\S[C@@H](c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1 100894495 JXKBSMIIYDEHQT-SKQREZPOSA-N 386.498 3.542 30 40 GHEB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(C#N)c2)c(=O)c1C 57528241 BPXGWNHUPWOLDW-UHFFFAOYSA-N 392.846 3.691 30 40 GHEB N#Cc1cc(F)ccc1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12759432 WDIYEGKJTZFJTO-UHFFFAOYSA-N 397.435 3.788 30 40 GHEB C=CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC 408935879 FAIHUNOCKXTHCQ-QGOAFFKASA-N 376.412 3.702 30 40 GHEB N/C(=N/OCc1cn2cc(Cl)ccc2n1)c1cc(Br)cs1 55047078 SZVNUSKVWQKIEF-UHFFFAOYSA-N 385.674 3.649 30 40 GHEB O=C1CSC(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)=N1 6345307 VJWZGBJCALZKMY-WSDLNYQXSA-N 375.453 3.972 30 40 GHEB Cc1cc(C)nc(/N=C(\NCCc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)n1 2210559 OOXFPKSUOVNIET-UHFFFAOYSA-N 392.507 3.557 30 40 GHEB CCCn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccncc1 5320774 VISWEWBSEISDDO-UHFFFAOYSA-N 392.488 3.547 30 40 GHEB C/C(=N\NC(=S)NCCc1ccccc1)c1cccc(Br)c1 4979415 NQDUBUISBNYWPJ-DEDYPNTBSA-N 376.323 3.880 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 7990310 LRBVMYKEXVTEHF-GFCCVEGCSA-N 393.424 3.816 30 40 GHEB Cc1ccc(C(=O)O)cc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409070154 XUCLFWMPOJQGDO-REZTVBANSA-N 379.166 3.820 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2nc(C)nn21 22608805 VBWZTSCFTGAJSS-SZNDQCEHSA-N 390.443 3.994 30 40 GHEB Cc1cc(N(CCC#N)C(=O)COC(=O)Cc2ccccc2F)ccc1Cl 29278280 SWWZXJGGIUVRAM-UHFFFAOYSA-N 388.826 3.820 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2cccc(F)c2C#N)cc1 26227138 OZMUGWJOZAKJAD-CQSZACIVSA-N 375.469 3.901 30 40 GHEB CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(F)cc1 102675442 UTECRXDXICGDJW-CQSZACIVSA-N 375.359 3.558 30 40 GHEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)c2c3c(c(=O)oc2c1)CCCC3 793114 WUAFRMVEOIMEBE-UHFFFAOYSA-N 388.423 3.869 30 40 GHEB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(C#Cc2ccccn2)c1 23881596 GOQVHGBQZTTWQH-UHFFFAOYSA-N 397.434 3.808 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCc3ccccn3)c2)c1 57996489 JMGGRAUVKZFYLG-UHFFFAOYSA-N 385.423 3.590 30 40 GHEB Cc1nc(S[C@H](C)C(=O)N2CCCC2)c(C#N)cc1C(=O)Nc1ccccc1 57597296 BCWRJZOQAHRAOH-OAHLLOKOSA-N 394.500 3.617 30 40 GHEB O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 59663555 VOROSESFFVTEOQ-UHFFFAOYSA-N 385.141 3.739 30 40 GHEB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 19227874 WWOWOADVUMWKES-FQEVSTJZSA-N 399.487 3.956 30 40 GHEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 13683907 IJVXZVVTRCJHLT-HSGPEQJXSA-N 381.403 3.773 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)COc1ccc([N+](=O)[O-])cc1Cl 5118572 VPSKTZXNXSBXRY-UHFFFAOYSA-N 389.795 3.582 30 40 GHEB O=C1Nc2ccccc2/C1=N/c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 6258052 HCIODBVZYCLVMR-UHFFFAOYSA-N 395.415 3.699 30 40 GHEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccccc1Cl 408533704 KMUHNBNGXXGXAS-LBPRGKRZSA-N 376.199 3.595 30 40 GHEB C#CCOc1ccc(/C=C2/SC(=O)N(CC=C)C2=O)cc1Br 409066753 CLFKFUMWNBNSPF-GXDHUFHOSA-N 378.247 3.683 30 40 GHEB Cc1sc(NC(=O)[C@@H](N)CCCCC#N)nc1-c1c(F)cc(F)cc1F 594433851 ICZPGMVKJABOLA-ZDUSSCGKSA-N 382.411 3.886 30 40 GHEB CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CO 2061000639 DIJIUKMUHVNJTD-IBGZPJMESA-N 388.545 3.907 30 40 GHEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 980711 QUAPELVKKGQLSL-SRZZPIQSSA-N 377.897 3.746 30 40 GHEB CC1(C)Cc2c(sc(NC(=O)CO/N=C/c3ccccc3)c2C#N)C(C)(C)N1 1744463 XFYFJEVUKXGZLE-FSJBWODESA-N 396.516 3.768 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2c1cccc(Cl)c1 36559239 UEDOCKIYFPUVCU-OAHLLOKOSA-N 394.862 3.939 30 40 GHEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 12855423 PKWXCVJAXNTIFF-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)c(Cl)c1 4740732 HXHYQBPTQCILMD-AHURVMIPSA-N 392.267 3.760 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(Cl)cc3Cl)C2=O)c1 408531860 HJUFOEONLQZCDG-CYBMUJFWSA-N 390.226 3.903 30 40 GHEB COc1ccc(/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cn1 409384409 AZJJYGVEMVZAQR-FBHDLOMBSA-N 382.372 3.720 30 40 GHEB C/C=C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@@H](C)O)C1=O 253390440 AIFXMSDWXBFQTF-LIUPHGOHSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc(Br)c(O)cc1O 16451063 PLTULIVAIKXFGM-VGOFMYFVSA-N 391.246 3.752 30 40 GHEB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 4585739 FMIMOVVLMHJDGH-UHFFFAOYSA-N 397.481 3.728 30 40 GHEB CC(C)(C)c1ccc(=O)n(C2CCN(c3nc4ccccc4cc3C#N)CC2)n1 1775971003 UJRQFXRETDMVHJ-UHFFFAOYSA-N 387.487 3.802 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)c1cccs1 585146752 LCEJKGFUXFPBME-AWEZNQCLSA-N 399.859 3.753 30 40 GHEB CC(C)(C)C1=CC(C)(n2[nH]c(=O)n(-c3ccccc3)c2=O)C=C(C(C)(C)C)C1=O 1652616 MCIYOVPACWHTHE-UHFFFAOYSA-N 395.503 3.570 30 40 GHEB N#Cc1c(SCc2c(Cl)cccc2Cl)sc2c(=O)[nH]c(=O)[nH]c12 4993700 QAYHVCPHDYBFAA-UHFFFAOYSA-N 384.269 3.749 30 40 GHEB Cc1c(C(=O)N(C)C)sc(NC(=O)COc2ccc3ccccc3c2)c1C#N 999832 QRRVRKJUZFJNGR-UHFFFAOYSA-N 393.468 3.801 30 40 GHEB CC(C)Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2ccsc2c1=O 57426306 IEOWDBZBWOETGE-UHFFFAOYSA-N 398.513 3.716 30 40 GHEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36479399 GPBCETUJPBBRPG-YOEHRIQHSA-N 397.500 3.945 30 40 GHEB CCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1Br 409086757 RPVUFGFRDXQPNC-WTKPLQERSA-N 389.043 3.926 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 6238827 HMFXLRUGMRQLOH-GOSISDBHSA-N 385.847 3.955 30 40 GHEB N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nnc2ccccn12 7718051 YYRSBNFAEVBPQV-UHFFFAOYSA-N 385.452 3.682 30 40 GHEB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ncc(C#N)cc1Cl 72289222 PMRLKUVELGWEKT-RISCZKNCSA-N 380.876 3.779 30 40 GHEB O=[N+]([O-])c1c(F)cccc1S(=O)(=O)/N=C(O)/C=C/c1cccc(Cl)c1 95467915 YKIUWKRAERPRIM-BQYQJAHWSA-N 384.772 3.746 30 40 GHEB N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 6669527 YURGLWFSCIEECK-UHFFFAOYSA-N 392.846 3.829 30 40 GHEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2sccc2C)C3=O)CC1 20518921 CXZABXZCVWFHJP-PDGQHHTCSA-N 384.501 3.516 30 40 GHEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 5978292 AXWNRJVBNLDIIL-GOSISDBHSA-N 380.400 3.973 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)ccc2c1=O 105872822 WGCWDHCPEJNUCK-XJIUQZFPSA-N 383.517 3.800 30 40 GHEB O=C(/C=N/OCc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(F)cc1F 55047693 BAZRJILYVZFCIR-ODCIPOBUSA-N 382.750 3.531 30 40 GHEB COc1ccc(N2CCN(c3oc(-c4ccccc4OC)nc3C#N)CC2)cc1 2405465 KJIFAGPTIXDDQA-UHFFFAOYSA-N 390.443 3.557 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 12939242 IBWMUZUZIBEEHG-UHFFFAOYSA-N 390.351 3.627 30 40 GHEB CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCC#N)C1=O 409016330 RIOYSYCQXFFUMY-MDWZMJQESA-N 381.251 3.796 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C2=CC[C@@H]3C[C@H]2C3(C)C)nc1 24038396 UKVQWEAYZWLGKF-ZZMGYYNLSA-N 376.526 3.502 30 40 GHEB COc1cccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)c1 408773887 XVVWTYHCPBXXQN-YDZHTSKRSA-N 391.427 3.602 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005796 AHQKSBCSJRIXAU-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB O=C1/C(=C/c2ccccc2)S/C(=N\CN2CCCCC2)N1CN1CCCCC1 3028131 VRHPSZFKIVDDIR-GAADFGEESA-N 398.576 3.846 30 40 GHEB COc1cccc(CN2CCC[C@@]3(COCCN(c4cccc(C#N)c4)C3)C2)c1 1203822094 DIXASNGJRYUYEN-XMMPIXPASA-N 391.515 3.686 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccc(F)cc2)cc1 104193527 PXBFNQPBLYLHMR-IBOXJLQUSA-N 395.415 3.612 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(O)c(OCC)c1 12062924 UAHMOSKGSNHGSF-HXUWFJFHSA-N 391.423 3.937 30 40 GHEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccccn3)c(C)c12 8792450 LZHUVSYGMBFAOB-UHFFFAOYSA-N 378.428 3.941 30 40 GHEB biogenic CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 102927761 KFYROUBZDOBMHR-GHNGSUTGSA-N 380.400 3.817 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2c(F)cccc2Cl)n1 6607480 UVWKLRJHWHGIPB-BTDICHCPSA-N 378.812 3.677 30 40 GHEB COC1=C[C@]23C[C@@H](C[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]2C)OC3=CC1=O 100060493 JXWKCIXVIBYKKR-AVIFXLABSA-N 386.444 3.608 30 40 GHEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c(OC)c1OC 12662967 QOVHWKXFPBWJPN-ZDLGFXPLSA-N 398.411 3.890 30 40 GHEB biogenic C/C(=N\NC(=S)Nc1ccc(C(=O)O)cc1C)c1ccc2ccccc2n1 104234539 RPCVVXSECUNNOE-YDZHTSKRSA-N 378.457 3.952 30 40 GHEB C/N=C1\S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)N1C 408786036 FJKWKGYYVPVLMO-QEEYBCOYSA-N 376.821 3.830 30 40 GHEB COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)cc1Cl 5236892 DCZWGFRAMRMSEC-DNTJNYDQSA-N 384.288 3.748 30 40 GHEB CO/N=C(/C[S@](=O)c1ccc(Br)cc1)c1ccc(OC)cc1 5526820 JOVDEIQKDNPKBS-APQDCOLYSA-N 382.279 3.616 30 40 GHEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1F 4741676 AWGMUARKDAEZCW-UHFFFAOYSA-N 393.447 3.799 30 40 GHEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(N(C)C)c(Br)c2)[C@H]2C=C[C@H]1C2 257173483 OQHUDYLMEXVWOW-ZSOXWFNISA-N 389.293 3.878 30 40 GHEB C=C(Cl)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 16210034 APGXBVRKFNTHNJ-CQSZACIVSA-N 391.876 3.736 30 40 GHEB N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O 1581928 XYKMDIKOEHWYBP-UHFFFAOYSA-N 386.238 3.748 30 40 GHEB O=S(=O)(/N=C(\O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCCCO2 42338953 YSSZNURDELWESL-UHFFFAOYSA-N 399.827 3.528 30 40 GHEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(Cl)cc1Cl 1393084 CEECJVYSRAXUIS-SFQUDFHCSA-N 390.269 3.793 30 40 GHEB C=CCOc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2123583 YJSGBSNKWATKHZ-FSJBWODESA-N 395.484 3.792 30 40 GHEB Cc1ccc(/C=N/N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)o1 409146035 RQZYCOZBFXHWQK-VCUGZOFZSA-N 382.419 3.814 30 40 GHEB C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1 48354278 VYQFEMPNUCDKOM-UHFFFAOYSA-N 379.869 3.757 30 40 GHEB C=CCNC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 6053845 YXIOQIYYGOFVHT-UHFFFAOYSA-N 375.509 3.765 30 40 GHEB C=CCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CC)cc3)S2)cc1 6450562 UQGYBHVMHMDBHC-KMUCBOENSA-N 393.512 3.978 30 40 GHEB C=CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccoc1C 9874614 MHDSGJVVPJEPMD-UHFFFAOYSA-N 385.474 3.623 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2)cc1)N1CCc2ccccc2C1 408729272 DDCZPJHBZPPQLJ-HZHRSRAPSA-N 392.480 3.890 30 40 GHEB C=CCSc1ccccc1C(=O)NCc1nc(-c2cccc(OC)c2)no1 219818893 RFMGNZQCGWKWTB-UHFFFAOYSA-N 381.457 3.953 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1Cl 66088154 NMXGKHFFLFPTPA-OAHLLOKOSA-N 396.226 3.811 30 40 GHEB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 5947737 AHNRNRQKXJJJSY-YBFXNURJSA-N 398.422 3.883 30 40 GHEB CCOc1ccc(/C(C)=N/Nc2ccccc2[N+](=O)[O-])cc1CN1CCOCC1 23466493 HSQBQAQGNGWMDH-CJLVFECKSA-N 398.463 3.662 30 40 GHEB N#Cc1ccccc1OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 23995188 OBYOBHFALZFIRA-UVLALUNPSA-N 378.472 3.671 30 40 GHEB Cc1cccc(OCCN(C)CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)c1 24680056 SDYFDJPSFWGPLA-IBGZPJMESA-N 386.455 3.543 30 40 GHEB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N(CCC#N)c1ccccc1 36802163 JTMFZBDKWYPDDF-AWEZNQCLSA-N 379.441 3.788 30 40 GHEB CC[C@@H](C)c1ccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4738595 DBOKWBDQKRVFRX-HXCVSQATSA-N 393.443 3.810 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)no1 8914970 JWCBMAPSBWWXOG-INIZCTEOSA-N 382.397 3.533 30 40 GHEB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)S2)cc1 408783819 NKLNCWSQHUBNCW-CNSVBDKNSA-N 395.484 3.760 30 40 GHEB COc1cccc(/C=N/c2cc(C(=O)O)ccc2Cl)c1O[C@@H](C)C(=O)O 409239798 FEPKWQTZZNRYQG-YPZZKDGISA-N 377.780 3.649 30 40 GHEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccc(C)c(C)c1 223735386 VZSGPZWKEBNOQN-ATJXCDBQSA-N 397.500 3.599 30 40 GHEB N#Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncc1Br 1162073460 HXOHCFMFTYCQIO-UHFFFAOYSA-N 380.249 3.886 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 5838392 MIXUULFVYNDRDI-YVGNARHYSA-N 377.487 3.562 30 40 GHEB Nc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 5895018 RWDZJMMMXJSALS-IFRROFPPSA-N 397.653 3.677 30 40 GHEB Cc1ccc(/N=C2\C(=O)N(CN3[C@@H](C)COC[C@@H]3C)c3ccccc32)cc1C 226758106 VJQBNUJOZXOSCL-ZSXCCPFRSA-N 377.488 3.838 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 100506308 PHPVVCJGVMNYFO-FQEVSTJZSA-N 399.487 3.958 30 40 GHEB N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2Oc2ccccc2)cc1 58345380 BMAOCUHNSLISQZ-UHFFFAOYSA-N 394.408 3.850 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4ccccc4)nc13)O2 5351173 HBHMCAPAWFESGX-SFHVURJKSA-N 384.395 3.916 30 40 GHEB N#Cc1ccccc1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27772002 YVYVKGVOVOOZDQ-UHFFFAOYSA-N 375.394 3.775 30 40 GHEB COc1ccc2c(CC(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)coc2c1 6886662 RSNOTKNZZKQVIZ-UHFFFAOYSA-N 398.802 3.691 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccncc1 6907780 AUPUKQIYSQWPDY-OAHLLOKOSA-N 391.500 3.596 30 40 GHEB CC/N=C1/S/C(=C/c2cc(Br)ccc2OCC#N)C(=O)N1CC 408932450 XCXOLURBOIIUCB-RKSAEPNISA-N 394.294 3.664 30 40 GHEB C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(Cl)ccc21 9872774 WNNUSDDZGBOPEY-NRFANRHFSA-N 385.847 3.618 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)c1 17056631 PIOQRZWBVIACIV-HXUWFJFHSA-N 386.407 3.873 30 40 GHEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 102494313 SZQCNDJUOOVHMM-JBCNATCCSA-N 392.499 3.793 30 40 GHEB COc1cc(OC)c(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1OC 891938 SRBUGTHCXSETFT-UHFFFAOYSA-N 399.410 3.506 30 40 GHEB CCN(CC)CCCN1/C(=N/c2cccnc2)SC[C@]1(O)c1cccs1 3331121 HBWXFBXADFVPKX-UQNFDQQLSA-N 390.578 3.757 30 40 GHEB COC(=O)C(OS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1 2057729 FSIZWAQEMKRCII-UHFFFAOYSA-N 396.464 3.817 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)nc2ccccc21 10237922 AXRABMGJDAKVKZ-LJQANCHMSA-N 393.512 3.631 30 40 GHEB N#Cc1c(COC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)cn2ccccc12 62479779 OVNPWLBNPMBKEI-HNNXBMFYSA-N 385.832 3.762 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1Cl 2503492 SVVYRHSQUUDCDZ-MRXNPFEDSA-N 376.865 3.719 30 40 GHEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(OC)c1 409406480 QTSFFPFURVNEGS-UHFFFAOYSA-N 385.423 3.963 30 40 GHEB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)n2)C1 13001569 QLPZKRPBOHXFKB-OWCLPIDISA-N 398.532 3.899 30 40 GHEB COc1ccc(/C(C)=N/OCC(=O)Nc2nc3ccccc3s2)cc1OC 13139025 TVXOACPEUGGILI-WSDLNYQXSA-N 385.445 3.693 30 40 GHEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OC 8917244 VQQSDEYFXGBWBL-HXUWFJFHSA-N 391.423 3.932 30 40 GHEB Cc1ccccc1-n1cnnc1SCC(=O)N(CCC#N)c1ccc(F)cc1 4501020 QXMWLSMGXJLXIC-UHFFFAOYSA-N 395.463 3.754 30 40 GHEB CCOc1c(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408750674 QEFDGJZGAHJKJN-LSCVHKIXSA-N 395.213 3.606 30 40 GHEB COC(=O)Cn1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc21 5695448 OBXZLTZXYSTFAW-WOJGMQOQSA-N 391.452 3.706 30 40 GHEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccco1 7890723 AJSYAQXIZFLJGF-CIAFOILYSA-N 380.356 3.652 30 40 GHEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(F)(F)F)sc3C)cc21 19820253 QJBYZAXHVLEEJX-UHFFFAOYSA-N 397.378 3.531 30 40 GHEB COc1cccc(/N=C(\O)CN(C)Cc2cc(=O)oc3c(C)c(O)ccc23)c1 82107519 STHVOANEGTWFDY-UHFFFAOYSA-N 382.416 3.536 30 40 GHEB O=[N+]([O-])c1ccc(CS(=O)(=O)/N=C(\O)C2(c3cccc(Cl)c3)CC2)cc1 48537361 UNNQASRYILRMCL-UHFFFAOYSA-N 394.836 3.766 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccn1)n1nc(SCc3ccccc3)nc1N2 5374031 OOWTUOBQSNFQCP-LJQANCHMSA-N 389.484 3.987 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C(=O)NC1=S 208308371 OLGPBZBKJGUPOY-MTOJCTJASA-N 397.544 3.611 30 40 GHEB CCCCCCCC/C=C\CCCCCCCC(=O)N=C(C(N)=O)C(N)=O 104119606 DWPKPSSDPOFMQI-KTKRTIGZSA-N 379.545 3.962 30 40 GHEB CC(C)CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N\O 103767685 WYRNEXHDWMRAND-CZIZESTLSA-N 399.359 3.913 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 101317813 BNGCXIRZEOVYLM-TWRDJQHTSA-N 392.842 3.987 30 40 GHEB Cc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1 2617649 YZAKZROGQWXAPN-QGZVFWFLSA-N 375.523 3.737 30 40 GHEB C=CCn1c(Cc2csc(NC(=O)c3ccc(C)c(F)c3)n2)n[nH]c1=S 24839530 KSLKIDSQTANPPM-UHFFFAOYSA-N 389.481 3.874 30 40 GHEB N#CCCN(C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 3235614 IGRWFXHDDUASSF-UHFFFAOYSA-N 392.333 3.689 30 40 GHEB COc1ccc(CN/N=C/c2ccc(N(C)C)c(Br)c2)cc1OC 20195976 IDBBJRXYPWMARZ-RGVLZGJSSA-N 392.297 3.656 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1F)c1ccc(F)cc1 5491338 IJMNGIXMOYWUCV-KRWDZBQOSA-N 393.349 3.538 30 40 GHEB COc1cccc(COc2ccccc2/C=N/NS(=O)(=O)c2ccccc2)c1 5514716 AEQQUIIRAZCYDC-PXLXIMEGSA-N 396.468 3.587 30 40 GHEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3cccc(C(F)(F)F)c3)c2)c1 5863615 MXKAKSBDROQPMX-UHFFFAOYSA-N 398.340 3.973 30 40 GHEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 302766689 JPQMNQRNJVOACM-UHFFFAOYSA-N 398.278 3.823 30 40 GHEB O=C1Oc2ccccc2C(=O)/C1=C\N[C@H]1C[C@H](C(F)(F)F)Oc2ccccc21 1547200896 NPNNIPDRPJBDPS-VWCPWKCOSA-N 389.329 3.717 30 40 GHEB Cc1c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cccc1C(=O)O 409100669 WCGBQRXDGBDYPI-REZTVBANSA-N 379.166 3.820 30 40 GHEB C=CCc1cc(CN2CCC(C(=O)c3cccnc3)CC2)cc(OC)c1OC 12188223 OMZQHLBMABAUEB-UHFFFAOYSA-N 380.488 3.922 30 40 GHEB c1ccc2c(O/N=C(/c3ccc4c(c3)OCO4)N3CCCCC3)ncnc2c1 6283473 OYRGCIKMODTOKP-GFMRDNFCSA-N 376.416 3.585 30 40 GHEB CCCNC(=O)c1nn(CC)cc1/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2798158 QETUHBANQJCFDA-FSJBWODESA-N 394.431 3.752 30 40 GHEB N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1ccccn1)CCCC2 33143969 LIBIUSIHFACMRD-OAHLLOKOSA-N 396.516 3.543 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 7798784 LIZQLWVQBXOXLT-UHFFFAOYSA-N 394.847 3.762 30 40 GHEB CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1cc(C)cc(CC)c1 4617012 PWCVGEJKJLQTQY-AFUMVMLFSA-N 394.475 3.888 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nnc1C1CC1 7814854 UEVOHFLNQJXRDB-VIFPVBQESA-N 382.411 3.878 30 40 GHEB CC(C)CN1C[C@H](C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1=O 84544232 IOVVPRHDRMNUCB-OAHLLOKOSA-N 393.512 3.828 30 40 GHEB COC(=O)c1ccccc1/N=C\c1ccc(O)c(I)c1 408966002 YNMVATXAWBIJJI-MFOYZWKCSA-N 381.169 3.534 30 40 GHEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3sc(C)nc3C)CCCCC2)cn1 12144122 RMUZODNPRPGPRL-UHFFFAOYSA-N 396.516 3.598 30 40 GHEB N#Cc1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 6549889 IPWBAEKHTHCZBW-UHFFFAOYSA-N 375.457 3.747 30 40 GHEB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2ccc(C#N)cc2)CC1 1889035062 FKSMMPJZWIFXJN-UHFFFAOYSA-N 390.462 3.628 30 40 GHEB CCOCCCn1c(S[C@H](C)C#N)nc2ccc(Br)cc2c1=O 7441323 BLXMEDUXXNNCKT-LLVKDONJSA-N 396.310 3.590 30 40 GHEB O=C(C[n+]1nc(CNc2ccc(F)cc2)n2c1CCCCC2)c1ccc(F)cc1 27525207 YJMJZSASPHXZIN-UHFFFAOYSA-N 397.449 3.670 30 40 GHEB C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 8719599 RLVWKQMXIQUNDW-INIZCTEOSA-N 385.876 3.555 30 40 GHEB N#Cc1ccccc1COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 5224731 SGUKGXYHMBWVSR-UHFFFAOYSA-N 381.391 3.614 30 40 GHEB CCN(CCO)c1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c(C)c1 6472820 HGJPCQNDZRJZRU-HYARGMPZSA-N 395.532 3.925 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)COc1ccccc1Cl 7792012 PJEKZCQQPOTDOA-UHFFFAOYSA-N 390.848 3.516 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2C)nc2ccsc2c1=O 9691192 KNEIFVUBKPOJAB-AWEZNQCLSA-N 399.541 3.922 30 40 GHEB COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c(C)c1 408750170 KZYUSUVGOPQEAX-NHDPSOOVSA-N 380.360 3.791 30 40 GHEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(OC)c1OC 34720026 GQKLAQOLSYSTDR-IURMJUJGSA-N 376.459 3.587 30 40 GHEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084936 OHYJBMJGIBIMIV-HKWRFOASSA-N 381.215 3.606 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 5446205 UFHQUTZAFKAWGH-UYAOXDASSA-N 395.430 3.891 30 40 GHEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)o1 16215047 GDPMRRFZJKEICX-VXLYETTFSA-N 383.320 3.613 30 40 GHEB COC(=O)c1ccc2c(c1)NC(=O)/C(=C\C(=O)c1ccc(C(F)(F)F)cc1)N2 77024282 IWXIMLPEUGWLFE-OQLLNIDSSA-N 390.317 3.623 30 40 GHEB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8336307 VAZGTLASEGITNC-UHFFFAOYSA-N 391.196 3.564 30 40 GHEB CC(C)(C)c1ccc(/C=N/OCC(=O)N2CCN(c3ccccc3)CC2)cc1 3290286 SVCWQYGLOUGQKX-JJIBRWJFSA-N 379.504 3.683 30 40 GHEB CC/C(=N\OC/C=C/Cl)C1=C(O)C[C@@H](C[C@H](C)[S@@](=O)CC)CC1=O 100222872 UABMGBLIZYILDD-BVUSFTCSSA-N 375.918 3.860 30 40 GHEB in-vitro Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18197884 FPBSBFFSDHVHES-PIGZYNQJSA-N 381.823 3.522 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 4312039 JRXGVUXHYJFGDC-INIZCTEOSA-N 375.421 3.502 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 6758379 PSQCBFSUPJANGD-CTNGQTDRSA-N 395.411 3.923 30 40 GHEB CCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccccc1 408915234 YSBHHDGZOWWLIK-CEOOYPSPSA-N 395.484 3.565 30 40 GHEB Cc1cccc(COc2ccccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409407495 UHNSNXMKQLCCLR-YHDSQAASSA-N 386.451 3.715 30 40 GHEB O/C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)=N\c1ncn[nH]1 49007349 SHMALDOXXOVWQS-UHFFFAOYSA-N 385.840 3.548 30 40 GHEB O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cn3ccsc3n2)cc1 79110256 OSAFEBQKWMBEMN-UHFFFAOYSA-N 387.420 3.782 30 40 GHEB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 12996697 GOORPKNXQFVAHN-UHFFFAOYSA-N 390.443 3.578 30 40 GHEB C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nnc1-c1ccoc1C 32915345 WNBBSJUNIZAHHX-CQSZACIVSA-N 393.476 3.862 30 40 GHEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(C[C@H](C)CC2=O)N1 4803028 VTJWJIFDCLPSOY-ZSEKCTLFSA-N 388.471 3.638 30 40 GHEB O=C(N1CCc2ccccc21)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 2198629 YGGYUBBVCPSXLV-ZDUSSCGKSA-N 393.205 3.770 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCC=C)cc1 2503514 HCJIHNHRTVQHTI-LJQANCHMSA-N 398.484 3.631 30 40 GHEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O 4385965 LQFNPETYTCPTCS-SFHVURJKSA-N 375.472 3.926 30 40 GHEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502362 VPZCMALSGWXYSO-JLTOFOAXSA-N 376.416 3.604 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408810918 JTRMIAWMHXWCAG-CPNJWEJPSA-N 376.412 3.535 30 40 GHEB COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1 16676491 ITRCLLHXCFKONG-PPRFWAEMSA-N 381.501 3.983 30 40 GHEB N#Cc1cccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 23641803 QEZFIONRNGFLSC-UHFFFAOYSA-N 380.734 3.609 30 40 GHEB N#CCCSc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 95953519 SNPOCPODDTXFOW-UHFFFAOYSA-N 393.468 3.594 30 40 GHEB C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OCC)c1O 409240820 IFAKBGZUFVEJRM-FOWTUZBSSA-N 377.462 3.592 30 40 GHEB N#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2cccs2)s1 1889229277 TYDNJXIYIJRPCY-UHFFFAOYSA-N 381.482 3.646 30 40 GHEB N#Cc1ccc(CN2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c(F)c1 2087137391 OIRZTXNEGTUHTC-QAPCUYQASA-N 390.384 3.822 30 40 GHEB C[C@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccc(F)c1)O2 4623864 HYQYXMBFHQUQBX-JEEBJRHZSA-N 386.386 3.948 30 40 GHEB CCc1cccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc12 2086869121 VLOQLXQUBBDERP-IRXDYDNUSA-N 375.501 3.698 30 40 GHEB O=C(O)/C=C1/S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 101379851 PXOHECPNEOGJHS-WNEPPRNQSA-N 391.452 3.942 30 40 GHEB C#CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1cccc(Br)c1 32934574 CWFYAEUNXCGFNC-SFHVURJKSA-N 390.302 3.761 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C\c2ccccc2Br)cc1 4679471 MBFDEURHFRSBLY-ZDLGFXPLSA-N 389.278 3.887 30 40 GHEB CN1/C(=C\C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)C(C)(C)c2ccccc21 33409872 QYRKOZPUGOQIJL-RGEXLXHISA-N 395.503 3.512 30 40 GHEB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 107072201 VMNBOFPRQIBXGW-WLJQEJPDSA-N 397.422 3.534 30 40 GHEB O=[N+]([O-])c1cc2c(cc1/C=N/c1c(-c3ccco3)nc3ccccn13)OCO2 101631726 BYDRKIUQNSRMTK-KEBDBYFISA-N 376.328 3.982 30 40 GHEB Cn1c(CCN2CCOCC2)nc2cc(/N=C(\O)c3ccccc3Cl)ccc21 13540386 LSLFDTZEIAFANZ-UHFFFAOYSA-N 398.894 3.738 30 40 GHEB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C#N)cc1[N+](=O)[O-] 8725903 ZITVPLPWWQSLQH-UHFFFAOYSA-N 379.203 3.848 30 40 GHEB CC(=O)Oc1ccc(-c2cs/c(=N/N=C/c3cccc(F)c3)n2C(C)=O)cc1 4476888 CEJLRJYXGQVOIA-UHMCFJCPSA-N 397.431 3.876 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 6420238 OALOXXFTKQLWJY-SFHVURJKSA-N 385.847 3.955 30 40 GHEB O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccc(SC(F)F)cc1 5547578 VYGYEEQIPVFYID-PFHXIJNMSA-N 381.429 3.759 30 40 GHEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)cc1 5799202 IFPFTCBABLLVRJ-MGPUTAFESA-N 379.456 3.769 30 40 GHEB C=CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)OCCCC)cc2)o1 5707719 CKRWQPBURXVHFY-HYARGMPZSA-N 385.489 3.888 30 40 GHEB Oc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1O 8042801 FTFXMVJPOKBXOM-CNHKJKLMSA-N 381.244 3.834 30 40 GHEB Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 35311881 WKZAFTIJFXWPDE-UHFFFAOYSA-N 377.425 3.874 30 40 GHEB C#CCOC(=O)c1ccc(-c2nc3ccc(C(=O)OCC#C)cc3s2)cc1 73635288 ZIHSUPWMPWFRGM-UHFFFAOYSA-N 375.405 3.543 30 40 GHEB N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 618852857 XUXRXCHRPYRJBY-WOJBJXKFSA-N 398.470 3.877 30 40 GHEB C#CCOc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)cc1OC 19550169 UWKBSCGOADTJLJ-GOTSBHOMSA-N 390.527 3.599 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(Br)ccc21 100875267 ONHJPPVNTKRELC-UZYVYHOESA-N 396.269 3.711 30 40 GHEB Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CCCCC2 4873798 ULFMPUSOFNBWMQ-UHFFFAOYSA-N 387.465 3.721 30 40 GHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1 18057974 CNHIBCCWXSLOQE-FQEVSTJZSA-N 378.403 3.834 30 40 GHEB C=CCn1c(SCCN2C(=O)[C@H](C)Oc3ccccc32)nnc1-c1ccco1 95444455 FVUGQKNFZHAIOM-AWEZNQCLSA-N 396.472 3.630 30 40 GHEB COc1cccc(/C=C2\Oc3c(ccc4c3CN(C3CC3)CO4)C2=O)c1OC 12442507 UGZMRJGODLDRNO-GRSHGNNSSA-N 379.412 3.634 30 40 GHEB Cc1nn(Cc2cc(-c3ccc(Cl)cc3Cl)no2)c(=O)c(C#N)c1C 22187930 JVJREHHRWJRRNW-UHFFFAOYSA-N 375.215 3.742 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1cccs1 625941 ARUASAPCMDUTAY-ABAIWWIYSA-N 375.471 3.567 30 40 GHEB C#CCOc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c1 100763615 XSUCPPCXDCXLES-SFTDATJTSA-N 377.484 3.722 30 40 GHEB COc1ccc([C@H](C#N)NC(=O)/C=C/c2nc3ccccc3s2)c(OC)c1 71847787 IGBYFGJCSCQDFQ-SCOAYWHSSA-N 379.441 3.708 30 40 GHEB CC(C)c1nc(OCC(=O)Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 13689174 XHIYXGWYYSHEDI-UHFFFAOYSA-N 379.460 3.945 30 40 GHEB COc1ccccc1NC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 13778097 MADSPRNGKKATKV-UHFFFAOYSA-O 382.871 3.690 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 4598894 SMJHQXCVULARON-PQDITWEDSA-N 384.457 3.651 30 40 GHEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)cc2)n2ncnc2N1 4704184 KXXUGLSQAKSEHW-HXUWFJFHSA-N 384.443 3.694 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1ccc(Br)cc1 5958661 QJYMKROOSYRHHH-ZZXKWVIFSA-N 391.246 3.577 30 40 GHEB N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 7307017 WZLPOGHNOHBVKT-OAHLLOKOSA-N 383.498 3.736 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 7990309 LRBVMYKEXVTEHF-LBPRGKRZSA-N 393.424 3.816 30 40 GHEB N#Cc1c(NC(=O)CSCC(=O)Nc2ccccc2)sc2c1CCCC2 409168153 KTKWPFTWTKCOMZ-UHFFFAOYSA-N 385.514 3.809 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408933469 ADTWUTYBFLWENS-BOPFTXTBSA-N 396.830 3.880 30 40 GHEB C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Br 97104229 INZCDAIEZJNAIZ-LLVKDONJSA-N 397.269 3.640 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)NC4(CCCCC4)C3=O)c2C)cc1 8125943 RXOLORJZSPXHBD-OEAKJJBVSA-N 378.476 3.991 30 40 GHEB C[C@H](Oc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1)C(=O)O 16907155 YEVJAFHHJXAIIY-YAFRSCOQSA-N 386.404 3.569 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 104185343 IJKUSTKOEXVHOS-IBOXJLQUSA-N 395.415 3.612 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O 101662085 XOORRGVNYNAAGD-QVKFZJNVSA-N 391.487 3.674 30 40 GHEB N#Cc1ccccc1CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 47261967 FMDZOGQVSAEBTA-MRXNPFEDSA-N 399.292 3.566 30 40 GHEB Cc1nc2ccc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)cc2s1 25283271 DAIGQJBPJLAZOE-UHFFFAOYSA-N 377.473 3.727 30 40 GHEB COc1cc(/C=N/Nc2ccc(Cl)nn2)ccc1OC(=O)c1cccs1 4966542 JAOSMMAVWCIZLP-VXLYETTFSA-N 388.836 3.865 30 40 GHEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 7564504 HOXMSQXRMOGYKE-CQSZACIVSA-N 389.411 3.757 30 40 GHEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC 408845467 NGSVTIAUGCOCOS-CPNJWEJPSA-N 390.439 3.707 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408799904 JFJGSJRCZLESBR-FOWTUZBSSA-N 382.803 3.571 30 40 GHEB Cc1cc(/C=N\O)cc(C)c1OS(=O)(=O)c1ccc(Br)cc1 256051717 KHVGIEXWYCOATI-MFOYZWKCSA-N 384.251 3.642 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1O 1531385045 RRXCTYBDVNLTSG-LPYMAVHISA-N 386.367 3.560 30 40 GHEB O=c1[nH]ncc(N/N=C\c2c(Cl)ccc(Cl)c2Cl)c1Br 12374188 VBVVLGGZGPHVDE-XFQLMFQHSA-N 396.459 3.939 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3OC)ccc21 8958767 XITMJQWEHFBUAZ-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(C#N)cc2)cc1 12545383 UGIZVDJXEJYJQV-NRFANRHFSA-N 378.476 3.837 30 40 GHEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2C1 1867601 FYKHFCMVAKTPHH-UHFFFAOYSA-N 383.448 3.978 30 40 GHEB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1ccccc1 2245341 QESLGKGFUMUGHD-AFUMVMLFSA-N 398.470 3.721 30 40 GHEB C=CCn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccncc1 3398919 HGSGOQUYDLHDKL-UHFFFAOYSA-N 383.521 3.625 30 40 GHEB N#Cc1ccc(OC[C@@H](O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 10772192 SXYVDKSKPWGWOR-OAHLLOKOSA-N 398.513 3.745 30 40 GHEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1 3563039 PKUVDUDBXCGZTP-UHFFFAOYSA-N 376.485 3.813 30 40 GHEB CC(=O)NN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1 13286451 PYMUZOUDRNCVAP-FRKBGCJLSA-N 396.497 3.712 30 40 GHEB CCCCCCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 408538968 SERGVDQYKNLBNT-UHFFFAOYSA-N 378.856 3.829 30 40 GHEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 5854820 HHSIAEXTDYGLPC-ZDLGFXPLSA-N 397.383 3.932 30 40 GHEB C#CCn1cnc2c(NC(=O)CC(c3ccccc3)c3ccccc3)ncnc21 72275022 XQPZZMWFOLUCJS-UHFFFAOYSA-N 381.439 3.620 30 40 GHEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccn1 24672185 ZTIWGGYDAQCHDO-HXUWFJFHSA-N 387.524 3.658 30 40 GHEB CCOC(=O)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408965211 UPWLDLYHADMPFR-VCHYOVAHSA-N 395.196 3.924 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2C)c1 408585988 ACMCRALKNILPFU-XEKLLHGHSA-N 399.494 3.790 30 40 GHEB Cc1cc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)ccc1I 408904023 CLYUAHPKJMAKMF-PXNMLYILSA-N 382.157 3.964 30 40 GHEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(OC)c1OC 137583355 GQKLAQOLSYSTDR-ZJNNUKBWSA-N 376.459 3.587 30 40 GHEB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21OCO[C@@]12COCO2 257198442 WFZVFCIUAYURKP-WPRJAGOYSA-N 388.504 3.962 30 40 GHEB biogenic,in-vitro O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 100237010 VGGZQNVGFUANKB-MBWWQJJZSA-N 386.451 3.797 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)s1 32891691 XKKVOVPGHZPHCF-UHFFFAOYSA-N 380.495 3.974 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)c2C#N)C1 2616799 SVTFJIYJLLSIBM-JTQLQIEISA-N 395.406 3.564 30 40 GHEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=S)NCc2ccccc2)o1 33759095 BSSPSRIKKQUUER-QRVIBDJDSA-N 393.468 3.951 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2OC(C)C)cc1 3137186 UTGYTMDHGZMWMO-SFHVURJKSA-N 381.457 3.764 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2ccccc2cc1O 3276227 HLFMWYSDGWAZNJ-UHFFFAOYSA-N 380.787 3.866 30 40 GHEB COc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1O[C@@H](C)C(=O)O 409242505 OBPNPTFBPYUIPK-XPAGJJBOSA-N 378.768 3.859 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nncs2)n(Cc2ccccc2)c1C 12809781 WCHBCJBHXQKLON-UHFFFAOYSA-N 383.502 3.607 30 40 GHEB C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1 3485583 LTQCVMMLMNGXBK-UHFFFAOYSA-N 387.534 3.874 30 40 GHEB CCOC(=O)c1c(C)oc(NC(=O)COc2ccc(Cl)cc2C)c1C#N 3428290 HQLFENALDXWPIN-UHFFFAOYSA-N 376.796 3.616 30 40 GHEB COc1cc2c(cc1/C=C1/S/C(=N\c3cc(C)cc(C)c3)NC1=O)OCO2 13881348 UFBMSMZDAJBFCQ-QGMBQPNBSA-N 382.441 3.932 30 40 GHEB CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC(=O)CC#N)cc1 6602737 WNWKMNNTBHYXHZ-UHFFFAOYSA-N 386.249 3.573 30 40 GHEB COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)cc1 6623645 BBYPCSXEJVARMV-UHFFFAOYSA-N 397.485 3.893 30 40 GHEB CC/C(=N\Nc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(Cl)cc1 6408169 FHPFVOBLNBKCCA-HEHNFIMWSA-N 394.928 3.992 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc2cc1OC 1355223 KXTDSPPNPPZOMC-UHFFFAOYSA-N 385.489 3.618 30 40 GHEB COC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1 4516885 OGLKKAMJWLONOQ-UHFFFAOYSA-N 380.429 3.564 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1nccs1 12378240 FQOCROWPZDEFGR-IKRFMFEDSA-N 386.502 3.598 30 40 GHEB N#Cc1nc(COc2ccccc2F)oc1N1CCN(Cc2ccccc2)CC1 54061547 DWJPWZHHIXPTIW-UHFFFAOYSA-N 392.434 3.587 30 40 GHEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 3227289 HLEHKBKSKLKBLH-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB Cc1ccc(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 52800950 KFFMRWNZTHSQSH-UHFFFAOYSA-N 382.895 3.671 30 40 GHEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCOCC1)C2=O 118917963 MBKCNWRXKQJVAT-MDHGTXKOSA-N 385.548 3.705 30 40 GHEB N#Cc1ccsc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 12913664 SZCOZPCVDVRRLW-UHFFFAOYSA-N 377.425 3.890 30 40 GHEB Cc1ccc(NC2=C(C(=O)c3ccccc3)NS(=O)(=O)c3ccccc32)cc1 4548566 HEUHDNBCINTCAO-UHFFFAOYSA-N 390.464 3.951 30 40 GHEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)cc1 72079781 YHBYGSQJRWMTKJ-VGOFMYFVSA-N 384.501 3.945 30 40 GHEB COc1ccccc1OCCN1C(=O)/C(=N\Nc2ccccc2)c2ccccc21 46084851 HAQSBIRELVJNSW-LVWGJNHUSA-N 387.439 3.937 30 40 GHEB Cc1cccc(-n2c(C)cc(C(=O)CSc3ncc(C#N)c(N)n3)c2C)c1 44030216 VOKRFIGDPDAQQD-UHFFFAOYSA-N 377.473 3.621 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](c3ccccc3)C(=O)N2CC)cc1 4538089 QXCRBNINCREZHI-NRTINQSCSA-N 388.514 3.630 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1 1715111 UKKUHNOVVHRCKS-XDOYNYLZSA-N 378.453 3.561 30 40 GHEB N#Cc1cc([N+](=O)[O-])cnc1NCC1(c2ccc3c(c2)OCCO3)CCCC1 32853502 WSBZSTYMJZTASE-UHFFFAOYSA-N 380.404 3.557 30 40 GHEB Cn1ccnc1Sc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 59490097 DJIIPRBESNRSLS-UHFFFAOYSA-N 391.408 3.942 30 40 GHEB C=CCn1c(SCC(=O)c2ccc3c(c2)CC(=O)N3)nnc1C1CCCCC1 6647033 YZZKARIPWOCAII-UHFFFAOYSA-N 396.516 3.981 30 40 GHEB Cc1ccc(N/C(CSC(N)=O)=N\S(=O)(=O)c2ccc(Cl)cc2)cc1 17041965 WTLRAHFBCYLJBQ-UHFFFAOYSA-N 397.909 3.660 30 40 GHEB CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(c1ccccc1OCC)C2 9419939 PHBZTRNLINNESU-UHFFFAOYSA-N 384.461 3.512 30 40 GHEB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(C#N)cc1Cl 72289225 PMRLKUVELGWEKT-SMDDNHRTSA-N 380.876 3.779 30 40 GHEB CCOC(=O)C1=C(c2ccccc2)NC(SCC#N)=N[C@@H]1c1ccccc1 408986404 CEOCFYMNFHKXLX-GOSISDBHSA-N 377.469 3.918 30 40 GHEB N#CCCN(Cc1cccnc1)C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 602262596 JWXKHGKUBDWIIW-SJLPKXTDSA-N 389.377 3.506 30 40 GHEB COc1ccc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc1OC 10233004 VKJLQBNDEAKNCG-UHFFFAOYSA-N 386.411 3.578 30 40 GHEB CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 1087982 VPEGXXRVCZUOFG-QGZVFWFLSA-N 383.521 3.724 30 40 GHEB COc1ccc(-c2nnc(S/C(=N/Nc3cccc(C)c3)C(C)=O)n2C)cc1 1248760 PMNDTVGNWQQACT-FCDQGJHFSA-N 395.488 3.906 30 40 GHEB Cc1cc(C)n(-c2ccccc2NC(=O)NCCNc2cccc(F)c2C#N)n1 47842764 NZZFRQDOXBFFQG-UHFFFAOYSA-N 392.438 3.734 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC 2297896 JORYTAKTHLTIRN-HXUWFJFHSA-N 399.487 3.871 30 40 GHEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1 2442923 GJWXYDHPTBTVEP-UHFFFAOYSA-N 398.463 3.913 30 40 GHEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 9421882 CBIZPZSLLHMFCR-NLLJVSSUSA-N 377.396 3.735 30 40 GHEB C=CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2nc(O)oc2c1 27914957 YPNHPRYTZCABIM-UHFFFAOYSA-N 378.837 3.564 30 40 GHEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1C 408930292 UZFMENDQRHZTCH-QSAFIDALSA-N 383.429 3.706 30 40 GHEB O=[N+]([O-])c1ccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 3028160 CGZJWSSNWOZCJV-CJLVFECKSA-N 376.416 3.973 30 40 GHEB CCCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1OC 16388725 JTHMFCYUQHIIFE-WUXMJOGZSA-N 397.471 3.847 30 40 GHEB Cc1cc(I)ccc1NC(=O)c1ccc(C#N)cc1F 408621996 ORZJBXGIXPAEOZ-UHFFFAOYSA-N 380.160 3.863 30 40 GHEB N#CCCN(C(=O)COC(=O)c1ccc2ccccc2c1O)c1ccc(F)cc1 10491344 HMMVJCMTXATMBZ-UHFFFAOYSA-N 392.386 3.788 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(F)cc3)cc21 8959622 PLGIIMJDRYBMEV-UHFFFAOYSA-N 398.434 3.781 30 40 GHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(C(F)(F)F)c1 808942 QCIVFYGVADKHGX-HNNXBMFYSA-N 395.377 3.948 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccc1 20189102 ZWVZJWGLJLWMBH-HXUWFJFHSA-N 396.487 3.898 30 40 GHEB Cc1nc(NCCCc2n[nH]c(N)c2C#N)c2c(-c3cccs3)csc2n1 12550714 KPQCFAQYVDNKLF-UHFFFAOYSA-N 395.517 3.950 30 40 GHEB O=C(O)c1ccccc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 409215099 ZSNIPNRNKLNIHT-GRSHGNNSSA-N 396.315 3.907 30 40 GHEB C#CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 408842834 LCURTSNYSRYVFI-NRFANRHFSA-N 399.446 3.830 30 40 GHEB COc1ccc(CCN2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1 89442286 YESJOYIHXRMQBW-UHFFFAOYSA-N 389.421 3.950 30 40 GHEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cc(Cl)cc(Cl)c1 408536626 SHEPIQHGBMYDPS-FCIDVOKBSA-N 394.258 3.579 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 225649900 FQMQCVDBTOQPCH-UHFFFAOYSA-N 395.528 3.860 30 40 GHEB CCOc1cc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)c2C#N)ccc1O 19848276 VAYCDTVXPVUCMS-UHFFFAOYSA-N 376.372 3.882 30 40 GHEB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(Cc4ccc(C#N)cc4)C3)ccc2n1 2087045668 ACGAITXYDYEIII-LJQANCHMSA-N 389.503 3.799 30 40 GHEB N#Cc1cccnc1N1C[C@@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@H]2C1 2087048843 LYNWTQFPHVGEQV-ZIAGYGMSSA-N 381.892 3.789 30 40 GHEB COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2nc(C)nn21 8559772 POTOFOVMNLQOIP-ZUOKHONESA-N 376.416 3.604 30 40 GHEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 12536791 XPTLTHKEZORJAT-RMKNXTFCSA-N 377.419 3.744 30 40 GHEB O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1Cc1ccccc1 13584115 ILDPXWPXAGJTOY-HCDAPJTOSA-N 388.290 3.915 30 40 GHEB N#Cc1ccccc1COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1 408743338 VRSWMTRLZLWVDN-AFUMVMLFSA-N 381.391 3.767 30 40 GHEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1ccc(Cl)cc1 225870470 XOFIOVOKKUGJFI-UHFFFAOYSA-N 391.906 3.970 30 40 GHEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc1OC 40140034 NNLJRJYBASWILZ-XBXARRHUSA-N 391.826 3.899 30 40 GHEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(SC)cc1 224977572 FYUSWDNLPAFWQB-UHFFFAOYSA-N 377.487 3.576 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cccs1 16086081 GWSQYDWWUNXEHB-UHFFFAOYSA-N 388.264 3.549 30 40 GHEB COc1cc(/C=N/O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 6212700 DUUMWGDOXHTJON-DJKKODMXSA-N 393.237 3.592 30 40 GHEB C[C@H]1CN(Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 30001621 YMYDZTARLNRQFV-HOTGVXAUSA-N 380.448 3.688 30 40 GHEB C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 32769030 HEQKAKOOQUIYHP-LEWJYISDSA-N 395.499 3.763 30 40 GHEB N#Cc1cc(Oc2ccc([N+](=O)[O-])cc2)c(-n2nnc3ccccc32)cc1C#N 2766410 XCYNSKXFVBDRPX-UHFFFAOYSA-N 382.339 3.864 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 1060747 YFZFZTMSOIYRNK-YCIYHOANSA-N 397.405 3.575 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccncc1 1225117 YVPOMLOLODHBLX-HNNXBMFYSA-N 379.489 3.954 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1812747 JBENCTXCRROMPU-GHRIWEEISA-N 396.493 3.798 30 40 GHEB Cn1cc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)c2ccccc21 102707302 AVJVADVFLYYSHX-RPHTVSPISA-N 385.427 3.687 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1F 26779534 DVFTXJYKPWHAFM-SFHVURJKSA-N 397.358 3.799 30 40 GHEB Cc1cc(N(CCC#N)C(=O)CSc2nncn2C2CC2)ccc1Cl 10649777 KUGPSTYCVKKFJU-UHFFFAOYSA-N 375.885 3.614 30 40 GHEB N#Cc1c(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCC2 6063764 ZMINOVMSNRLCBL-UHFFFAOYSA-N 384.501 3.807 30 40 GHEB O=c1c(Br)c(N/N=C/c2ccccc2F)cnn1-c1ccccc1 4749585 POGXJRXBYIAAJC-KEBDBYFISA-N 387.212 3.580 30 40 GHEB N#Cc1c(O)nc(SCC(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 7995191 PDGSTWKLOBCDMD-UHFFFAOYSA-N 380.404 3.591 30 40 GHEB Cc1cccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s2)c1 8091042 XFNLTMXFPHKLJX-KRWDZBQOSA-N 375.523 3.737 30 40 GHEB C/N=C1/S/C(=C\c2cc(Br)c(OC(C)C)c(OC)c2)C(=O)N1C 408850078 FINBMIXAHNTSHA-ROMCCWAQSA-N 399.310 3.777 30 40 GHEB CC(C)Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1 27794164 AYMVGKORAXGVLS-GOSISDBHSA-N 388.899 3.884 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 408758003 FNMJGPXNLDWUOC-WQFTWXBESA-N 379.485 3.885 30 40 GHEB O=S1(=O)C[C@@H](N2CCCCC2)C2=C(O1)c1ccccc1N(c1ccccc1)C2 31761762 ICUOXXXLEILBIC-OAQYLSRUSA-N 396.512 3.764 30 40 GHEB CC[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(S(C)(=O)=O)cc1 225723480 ZNBQKFPCZHFFFM-SFHVURJKSA-N 387.530 3.594 30 40 GHEB COc1ccc(S(=O)(=O)/N=C2/C=CC=C/C2=C\C=C2C=CN(O)C=C2)cc1 198835996 MYEJOKLXXLVMPR-RPBJWCAZSA-N 382.441 3.536 30 40 GHEB Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 18200623 WHGCJJNTZUDZDV-APPDUMDISA-N 381.823 3.522 30 40 GHEB O=C(O)COc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1Cl 6393032 QUTZVRNWYSWFMN-DHDCSXOGSA-N 388.832 3.695 30 40 GHEB O=C(CSCC#CCSCC(=O)Nc1ccccc1)Nc1ccccc1 20523258 ASGNQSOTPJWNFX-UHFFFAOYSA-N 384.526 3.734 30 40 GHEB Cc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C#N)cc2c1 4848886 VDWATYFNXDAPCT-UHFFFAOYSA-N 391.452 3.917 30 40 GHEB COc1ccc([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C3=C2C(=O)CCC3)cc1 4023863 UEQZDZDZTHOFJU-GOSISDBHSA-N 391.423 3.921 30 40 GHEB biogenic C=CCN[C@@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl 19315486 ABDJKLOONLLOSD-NSHDSACASA-N 386.504 3.651 30 40 GHEB N#CC1(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)CCCCC1 4767104 MMSNHAQHYPBJIN-UHFFFAOYSA-N 390.654 3.541 30 40 GHEB Cc1cc(I)ccc1/N=C\c1ccc(O)c([N+](=O)[O-])c1 408905090 SWHUFBGKUZZJDD-PXNMLYILSA-N 382.157 3.964 30 40 GHEB O=C(O)c1cccc(Cn2c(Cl)c(/C=N/Nc3ccccc3)sc2=O)c1 4889167 FTRYOLWOFSWBTH-KEBDBYFISA-N 387.848 3.756 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cc(Cl)cc(Cl)c3)C2=O)c1 408531009 GHFQNEQKVSOMGA-HNNXBMFYSA-N 390.226 3.903 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19498921 RVCUMBWDNWYADP-QFIPXVFZSA-N 376.500 3.779 30 40 GHEB Cc1cc(N2CCOCC2)ccc1/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O 5583741 XKTNXWFLDWGHLX-CPNJWEJPSA-N 397.475 3.862 30 40 GHEB C=CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(NC(C)=O)ccc21 100874943 OYXWRYWAHBTJHV-LNVKXUELSA-N 379.485 3.907 30 40 GHEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 20150134 RECLORKZHBXBGU-HXUWFJFHSA-N 390.439 3.573 30 40 GHEB N#Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1 2665129 VZFALIGPYXWWLU-UHFFFAOYSA-N 375.457 3.747 30 40 GHEB C=CCNC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 2798611 BLWGRRWKPQCQNR-UHFFFAOYSA-N 397.422 3.955 30 40 GHEB CSc1cccc(NC(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)c1 52801334 UVFLIJHPRKQVQD-KRWDZBQOSA-N 394.544 3.819 30 40 GHEB O=C(O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4714113 RNYFMSOPVYYIBQ-GFMRDNFCSA-N 384.395 3.604 30 40 GHEB CCOc1ccc(CCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 10675678 CXZSQDFZGKMTFR-UHFFFAOYSA-N 398.528 3.990 30 40 GHEB N#C[C@@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1 2438971 XUGUBUZSAXOTHX-GOSISDBHSA-N 386.455 3.971 30 40 GHEB N#Cc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc1 61719586 GXRZOBIFXVRVBY-AWEZNQCLSA-N 375.359 3.660 30 40 GHEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 4061010 ADXRSXASQOCZDF-FQEVSTJZSA-N 383.488 3.789 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccc2Cl)cc1 19138560 WHNVHCDOJNDFRZ-ACJLOTCBSA-N 385.847 3.608 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1 5800639 DOBMPAXVYJDQNO-SFHVURJKSA-N 389.386 3.707 30 40 GHEB O=C(C[C@H]1CC2=C(C[C@H](c3ccc(F)cc3)CC2=O)NC1=O)Nc1ccccc1 1548338298 COOODIBFBIBIOI-JKSUJKDBSA-N 392.430 3.691 30 40 GHEB N#CC1(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCCC1 593782297 UHMKTLOFDVFFQF-UHFFFAOYSA-N 380.414 3.517 30 40 GHEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1ccc(N(C)C)cc1 2219362 NHBUHMQPMQFPJT-XXMOOFAISA-N 380.517 3.915 30 40 GHEB O=C(O)/C=C1/S/C(=N/C2CCCCC2)N(CCc2c[nH]c3ccccc23)C1=O 101379737 LAEGCOAMLKQDJK-WNEPPRNQSA-N 397.500 3.943 30 40 GHEB C#CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062270 ZNFBMBHNGXRPPE-UHFFFAOYSA-N 392.509 3.726 30 40 GHEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 4703294 OWVQSOXOBCJDJR-CPNJWEJPSA-N 385.423 3.802 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cc(C)on1 5800510 NASQGOYJLMVCPQ-LJQANCHMSA-N 390.395 3.775 30 40 GHEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 6852765 PUMCGWKIDDDTMY-HYKUDODISA-N 380.396 3.808 30 40 GHEB biogenic C=CCn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O 12324788 MROMWIYGQKTKHJ-UHFFFAOYSA-N 377.400 3.835 30 40 GHEB COc1ccc(OC)c(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)c1 13814637 DDKKFTORUFXAHP-UHFFFAOYSA-N 386.411 3.578 30 40 GHEB COc1ccc([C@@H](CNc2oc(-c3ccccc3)nc2C#N)N(C)C)cc1OC 27990762 AYUCGTXBMLAADC-GOSISDBHSA-N 392.459 3.945 30 40 GHEB C=CCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1nc2c(s1)CCCC2 36829980 LBSIGOCZIPLRFJ-UHFFFAOYSA-N 381.501 3.982 30 40 GHEB CN(Cc1ccccc1O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 47521236 JSMFPNFXJNWDDI-UHFFFAOYSA-N 379.338 3.869 30 40 GHEB N#C/N=C(/Nc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccccc2)C1=O 113481368 XATYPCHNKATCBW-HNNXBMFYSA-N 384.848 3.654 30 40 GHEB CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1OCC 408852418 KQNPIZAODYEMEO-AFEKCPOISA-N 399.310 3.778 30 40 GHEB CO[C@@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)[C@H]1CCOC1 598815823 WLRBPGNZRNLVRI-FXAWDEMLSA-N 384.863 3.796 30 40 GHEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(C)cc2)cc1OC 902770 AFSARLXTYVHTDZ-NRFANRHFSA-N 395.455 3.539 30 40 GHEB CCOc1ccccc1NC(=O)[C@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 1617388 WKZKDGZXUGVVHY-CQSZACIVSA-N 394.814 3.736 30 40 GHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2OC)cc1 5959533 GUFLRXPCTCKVDD-UDWIEESQSA-N 384.461 3.906 30 40 GHEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Br 7172125 RWBOJKXQOWMWRM-NSHDSACASA-N 395.326 3.963 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC)cc3)cc21 8959522 QAEKKDVRIGAOIQ-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 10638675 OPNQIOIMZPGCGG-KBPBESRZSA-N 398.413 3.990 30 40 GHEB N#CCCn1c(SCC(=O)Nc2cccc3nsnc23)nc2ccccc21 19079104 NDXILCVDBFDPGA-UHFFFAOYSA-N 394.485 3.685 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1C#N 32729916 WMAWNJIBWRJBRS-LJQANCHMSA-N 398.507 3.724 30 40 GHEB Cc1ccccc1N1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 32802054 OWHAJEUMJVSOMI-UHFFFAOYSA-N 394.544 3.632 30 40 GHEB COc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)ccc1OC(C)=O 59459386 FTZXXPPTLRMGKT-WQRHYEAKSA-N 382.441 3.821 30 40 GHEB CC[C@@H](C)C(=O)/N=C(\NCCc1c[nH]c2ccccc12)Nc1nc(C)cc(C)n1 65166413 ISVLWLXBNRVTGB-CQSZACIVSA-N 392.507 3.748 30 40 GHEB CC1=CC(=O)[C@H](C(=O)/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)C(=O)O1 102598451 PPGYJHHYLHEGLT-KZSQQDEKSA-N 379.195 3.540 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102801858 WOJGZDWMHUACAQ-JXQDGVRSSA-N 377.440 3.596 30 40 GHEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 113481634 JWYDICDOACHPLZ-OAHLLOKOSA-N 384.848 3.654 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(Br)o3)C2=O)s1 137161141 GKVRPPQPRBYEOK-XHUYASQHSA-N 384.280 3.874 30 40 GHEB N#CCc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225818951 WXQPBFLBZYIAAB-UHFFFAOYSA-N 383.864 3.943 30 40 GHEB C=CCOc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1 409300075 UKDVMSXJBRRRLN-UHFFFAOYSA-N 398.260 3.914 30 40 GHEB COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(OC(=O)N2CCOCC2)c1 5023678 DYEHPGIWMCSLJT-JXMROGBWSA-N 381.428 3.731 30 40 GHEB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2sccc2C#N)cc1 7988227 RPCIPYSSEBOHCL-UHFFFAOYSA-N 386.436 3.880 30 40 GHEB COc1ccc(Br)cc1/C=C1\Oc2cc(OC(C)=O)ccc2C1=O 13770178 APDHZDOEVQHDDO-IUXPMGMMSA-N 389.201 3.999 30 40 GHEB C=CCN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1cccc(C)c1 21841902 JDCPHJBJUXDNQL-UHFFFAOYSA-O 390.326 3.759 30 40 GHEB CO/N=C/C1=C(c2ccc(F)cc2)/C(=C\N(C)C)C(=O)N1c1ccc(OC)cc1 29763770 WNZSPKBWYULHAG-NHEPCLRSSA-N 395.434 3.670 30 40 GHEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084876 AGHGKZFIXVCRHU-PGMHBOJBSA-N 395.242 3.996 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)cc1 59435760 SGQBWIFHERHOLV-UYRXBGFRSA-N 379.412 3.717 30 40 GHEB CN(Cc1ccccc1)c1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1 62269535 RMIIKYLKPJNBJF-UHFFFAOYSA-N 385.471 3.665 30 40 GHEB CCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)/C=C/NCC(F)(F)F 100207294 SBLDXNXDGWMBAL-BTDICHCPSA-N 398.208 3.950 30 40 GHEB COc1cc(/C=C2/NC(=S)N(c3ccccc3Cl)C2=O)ccc1OCC#N 105682949 HPYHFDHRERAEAK-GXDHUFHOSA-N 399.859 3.513 30 40 GHEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218348802 VXGJUNFHEJWHKQ-RZUBCFFCSA-N 397.496 3.570 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 408590244 OIMRWWDKUMJMQA-GDMQDLFXSA-N 399.494 3.790 30 40 GHEB COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435967 ACFMAPKNFKWXQC-YJYMSZOUSA-N 378.457 3.764 30 40 GHEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4488258 LGGXSBPTFSUJCZ-WYRIXSBYSA-N 382.370 3.873 30 40 GHEB CCC(=O)C1=C(c2ccc(Cl)cc2)N(C(=O)CC)n2c(C)nnc2S1 4518217 AJRUCVLYUSQPLI-UHFFFAOYSA-N 376.869 3.568 30 40 GHEB CCCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CCC#N)cc1 12597083 DOFKJVSYAVRCQH-FQEVSTJZSA-N 392.459 3.545 30 40 GHEB C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 18405642 PNWYENKGPQSKNX-CYBMUJFWSA-N 390.472 3.616 30 40 GHEB C=CCC1(CC=C)CCN1C(=O)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19015133 SRZXCERHORCUDJ-UHFFFAOYSA-N 394.515 3.861 30 40 GHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 19087853 OPDBQXOXCWDMAY-HXUWFJFHSA-N 378.403 3.834 30 40 GHEB COc1cc(/C(N)=N/OCc2csc(C(C)(C)C)n2)ccc1OC(F)F 70012314 CJEUSTRMRSGIAF-UHFFFAOYSA-N 385.436 3.888 30 40 GHEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1nc2ccccc2s1 100628235 FWAIGDRVXXGELV-GYKMOOBXSA-N 396.497 3.886 30 40 GHEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408572636 RNVPSVXHNWNHBE-LJQANCHMSA-N 394.456 3.698 30 40 GHEB O=C(NCc1ccc(/C=N/c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 408786534 SENGIVAMTPUJJI-WSDLNYQXSA-N 381.819 3.939 30 40 GHEB N#Cc1c(NC(=O)CSc2nc(-c3ccco3)n[nH]2)sc2c1CCCC2 409272576 NFUWLECYENDEEH-UHFFFAOYSA-N 385.474 3.607 30 40 GHEB Cn1c(Sc2c(C#N)cnc3c(Cl)cccc23)nnc1C1CCNCC1 568745674 YZDOGUHEFAQKHE-UHFFFAOYSA-N 384.896 3.507 30 40 GHEB COc1cc(/C=N/Nc2oc(-c3ccc(F)cc3)nc2C#N)cc(OC)c1OC 11916147 VLVMXDZASRYMGH-FOKLQQMPSA-N 396.378 3.824 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2F)no1 102801136 UNDACALHLPDPFD-SELCWUDQSA-N 378.359 3.748 30 40 GHEB CCOc1cc(C#N)ccc1OCC(=O)NCC1(c2ccccc2)CCCC1 12101416 SOPAOYUYJFIJMN-UHFFFAOYSA-N 378.472 3.964 30 40 GHEB CCOc1ccc2ccccc2c1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100230485 BXROBWWXAGKEMJ-BDWIAKCSSA-N 386.451 3.626 30 40 GHEB CC/N=C1/S[C@H](C(=O)Nc2ccccc2)CC(=O)N1CCc1ccccc1 100203662 DWGWIEUCKWHKSG-VEGAHXMMSA-N 381.501 3.578 30 40 GHEB CC1=NN(c2ccccc2)C(=O)[C@H]1C(C)(C#N)[C@H]1C(=O)N(c2ccccc2)N=C1C 100989745 MKNWARFTXNRPCG-DETIRCLXSA-N 399.454 3.594 30 40 GHEB O=S(=O)(O[C@H]1C[C@@H]2O[C@@H]1c1ccccc12)c1ccc(Br)cc1 101044487 XAYUTBUIXNEVPQ-HRCADAONSA-N 381.247 3.739 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2F)cc1 9087196 RTKCHLOIFWVOBU-LHSJRXKWSA-N 390.418 3.842 30 40 GHEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCC#N 4498471 JKVBVROVLSLHJG-UHFFFAOYSA-N 379.412 3.726 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O 409124723 BMJVHJFGSHUISV-LDADJPATSA-N 396.418 3.882 30 40 GHEB C=CCCC(=O)OC[C@@H]1CN(Cc2ccccc2)C[C@H]1COC(=O)CCC=C 95450738 ACUMJCXWQGTCHO-SFTDATJTSA-N 385.504 3.753 30 40 GHEB Cc1ccc(NCc2cc(F)ccc2C#N)cc1S(=O)(=O)N1CCCCC1 95965807 FPTDCWZXAXIUFQ-UHFFFAOYSA-N 387.480 3.793 30 40 GHEB COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1Cl 409018528 HQPTXXIYQBAZHV-OHBSIKEHSA-N 391.807 3.738 30 40 GHEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)S2)c1C 409012884 LHXLOMLFHWUSCV-ATVHPVEESA-N 383.473 3.625 30 40 GHEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 408968388 YJWNDBDNVMCWNN-YDZHTSKRSA-N 395.484 3.695 30 40 GHEB COc1cc(OC)c(/C=N/Nc2nc3ccccc3n2C)cc1Br 408662378 RKLNTKLYUVFSGA-VXLYETTFSA-N 389.253 3.799 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)S2)cc1 408954796 VCSSFQVRHJFFCN-LICLKQGHSA-N 398.440 3.714 30 40 GHEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1 44085703 ARVZWZVEFPKDOO-UHFFFAOYSA-N 384.461 3.772 30 40 GHEB Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 251506582 YFPPXFOMBMKNNX-RZKGAYBFSA-N 386.451 3.715 30 40 GHEB N#Cc1ccc(N=c2cnc([C@@H]3CCCN3Cc3ccc4[nH]ccc4c3)c[nH]2)cn1 585294044 MZELSXLVWDWVQY-QFIPXVFZSA-N 395.470 3.727 30 40 GHEB N#Cc1ccnc(Nc2nc(C3CCN(Cc4ccncc4)CC3)cs2)c1 585294442 FPEMXOKDFAPHAF-UHFFFAOYSA-N 376.489 3.928 30 40 GHEB C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cc1 55821162 UKABRUMSRCEXGO-UHFFFAOYSA-N 388.471 3.911 30 40 GHEB O=C(/C=C\Sc1nnnn1-c1ccccc1)c1ccc(Br)cc1 16523806 VHFLPHDSTAHXAR-KHPPLWFESA-N 387.262 3.914 30 40 GHEB CCCCC1=NN(C(=O)C(C)C)[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 4416426 NFAZITWMQBIGHC-LLVKDONJSA-N 380.304 3.942 30 40 GHEB C#CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2n1C 7343314 HTWKSLJNOPQXAU-UDWIEESQSA-N 383.249 3.794 30 40 GHEB N#Cc1ccc(COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 7354624 OKHGSGNHJDZGRE-PQCJFMQRSA-N 392.499 3.809 30 40 GHEB N#CCCCSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 7781626 FVNHJYXWPAGNTP-UHFFFAOYSA-N 379.489 3.656 30 40 GHEB CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 11092931 XERUHGKXFTXUJQ-YCRPNKLZSA-N 379.460 3.643 30 40 GHEB O=C(Cc1ccccc1)NC/C=N/OC(=O)Nc1ccc(Cl)c(Cl)c1 16478612 GBQHRVWDEJNVIG-ZVBGSRNCSA-N 380.231 3.887 30 40 GHEB O=C1C=C(NCCNc2ncc(C(F)(F)F)cc2Cl)C(=O)c2ccccc21 100328037 AKUZNPMFZBSLQC-UHFFFAOYSA-N 395.768 3.718 30 40 GHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1cccc(C)c1 101450470 MPCQKJLHQKSTIU-QCLNCQLRSA-N 397.500 3.984 30 40 GHEB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 408702523 HTWMPVYPORRJTN-UHFFFAOYSA-N 399.516 3.554 30 40 GHEB COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OC(C)=O 408760951 BEIATWKRTKBAPS-WQRHYEAKSA-N 382.441 3.821 30 40 GHEB CN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC1=Nc1ccccc1 409132478 ZZUDOYSDEWQDHJ-VXMHBOQLSA-N 397.475 3.896 30 40 GHEB C(#Cc1cnn2cc(-c3ccccc3)cnc12)c1cccc([C@@H]2CCCNC2)n1 1615526001 MHNLGSDGZNFUSL-LJQANCHMSA-N 379.467 3.658 30 40 GHEB COc1cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OC 2659990 HMPWMODWSSQYKM-UHFFFAOYSA-N 395.440 3.960 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC(C)C)cc3)c2C#N)C1 4275225 QMOKRAOJASIKSK-UHFFFAOYSA-N 383.473 3.564 30 40 GHEB CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccc(C)cc2)C(=S)SC1(C)C 4794995 ALYHJNJFVGBSPQ-SLDJAQPHSA-N 394.566 3.968 30 40 GHEB CCc1ccc2nc(SCC(=O)Nc3nnc(CC)s3)c(C#N)cc2c1 4848942 ASQQYRBQWFTDHU-UHFFFAOYSA-N 383.502 3.814 30 40 GHEB CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165170 MFGDAEKDIRQPFB-JLTOFOAXSA-N 376.416 3.686 30 40 GHEB CCCCCc1c(C)nc(/N=C(\N)N2CCC(Cc3ccccc3)CC2)[nH]c1=O 19819790 VILQGGNNYRTYMP-UHFFFAOYSA-N 395.551 3.712 30 40 GHEB CCOC(=O)[C@H]1CCCN(c2nc(SC)nc(-c3ccccc3)c2C#N)C1 31773895 LAGHZPMUAVFMSU-HNNXBMFYSA-N 382.489 3.517 30 40 GHEB CC(C)(C)c1ccc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70929190 SPVRHDXZZBBCQJ-UHFFFAOYSA-N 376.504 3.897 30 40 GHEB C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 223876330 MYAHILZNNLBXOL-CQSZACIVSA-N 375.515 3.859 30 40 GHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224744437 UGRRSNSMRKSEKU-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccncc1 9494690 AXQLVUGZLJKPOX-UHFFFAOYSA-N 398.879 3.616 30 40 GHEB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 28764553 QLGUEOMATZLHSZ-LBPRGKRZSA-N 395.513 3.808 30 40 GHEB C=CCN(Cc1cc(=O)n2ccccc2n1)Cc1ccc(Br)s1 14021890 FBYZRWTYVBUAEU-UHFFFAOYSA-N 390.306 3.707 30 40 GHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 5901082 GGYBUKITEXOMCS-CFFVULROSA-N 398.411 3.650 30 40 GHEB biogenic Cc1cccc(N2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)c1C 19680670 BXDAXVWLGSADFW-UHFFFAOYSA-N 388.471 3.830 30 40 GHEB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=C2\SC(=S)NC2=O)c1 408890081 NMVASZCVZZACCC-CHHVJCJISA-N 383.410 3.748 30 40 GHEB O=C(C[n+]1ccc(Cc2ccccc2)cc1)Nc1ccc2c(c1)OC(F)(F)O2 7745089 IAAZBMJMGVLUHD-UHFFFAOYSA-O 383.374 3.525 30 40 GHEB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sccc1C#N 8177116 AMIUCHAZMPJUIG-SECBINFHSA-N 391.503 3.796 30 40 GHEB N#Cc1c(NC(=O)CCNC(=O)OCC(F)(F)F)sc2c1CCCCC2 95954844 JZMOVLDPOJKYAI-UHFFFAOYSA-N 389.399 3.506 30 40 GHEB N#Cc1ccc(F)cc1CNc1cccc(S(=O)(=O)N2CCCCCC2)c1 95965808 FPCLMHGVLNRJNH-UHFFFAOYSA-N 387.480 3.874 30 40 GHEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 33911209 LXWHTPGXHIWASI-YVNNLAQVSA-N 393.403 3.850 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O 408966023 YRAVCEDVTMVOCW-RQZCQDPDSA-N 388.420 3.743 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409005055 DAPDMLVCAWXCME-HKWRFOASSA-N 393.464 3.986 30 40 GHEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C)c(F)c2)nc1C 30671456 SSAFYMAESYOCPF-UHFFFAOYSA-N 389.481 3.885 30 40 GHEB CC(=N\Nc1ccc(Br)cc1)/C(=N\O)C(=O)Nc1ccccc1 216875223 JUIXFITUPKYWDK-WFSBFUJCSA-N 375.226 3.706 30 40 GHEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224967984 FPRDEXYWODMDEY-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)S1 5480823 OTACFYFJKIZRKA-AUWJEWJLSA-N 391.792 3.615 30 40 GHEB N#Cc1ncccc1N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 2086896749 BFXRRVNOOQSPMZ-UHFFFAOYSA-N 393.454 3.737 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 6786753 ACWBIOXSBZBGAL-YJBOKZPZSA-N 399.468 3.514 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 3401709 KWUOIGRTOIJPJX-UHFFFAOYSA-N 394.500 3.646 30 40 GHEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Oc2ncn3nc(C)nc3c21 5347952 XOWSXIIWDQEUJG-QGZVFWFLSA-N 390.443 3.609 30 40 GHEB C=CCNc1nnc(SCc2cc3c(cc2Br)OCO3)s1 7090672 FUUXVGSSBKZSAY-UHFFFAOYSA-N 386.296 3.920 30 40 GHEB Cc1csc([C@H](C#N)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)n1 7832152 BWTJVFOMMWBFFQ-OAHLLOKOSA-N 395.513 3.878 30 40 GHEB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cn2ccccc2c1C#N 8744644 FGSKJAJMWCQSAI-UHFFFAOYSA-N 382.851 3.543 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccncc1 18195875 SPCIWHKEBDVFPW-GOSISDBHSA-N 386.455 3.761 30 40 GHEB COc1cccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)c1OC 32739281 ZFRRUJALIPEYEX-UHFFFAOYSA-N 379.416 3.540 30 40 GHEB O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 101446378 ILSGMDAKIPBSQA-BSYVCWPDSA-N 385.383 3.814 30 40 GHEB C=CCOc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222517008 DACWIDVBZVARDZ-UHFFFAOYSA-N 394.880 3.553 30 40 GHEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(SC)cc1 224993057 ZCPWTRKNMSZRGM-UHFFFAOYSA-N 377.487 3.576 30 40 GHEB CN(C)c1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cc1 585292999 BNBRRRPLNNICEN-QFIPXVFZSA-N 399.502 3.890 30 40 GHEB CN1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@@H]1Cc1ccccc1 1186388431 RHEBSRUJWCJJOP-FQEVSTJZSA-N 385.471 3.504 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccc(F)cc3)nnc12 4500323 VAUFWNTVKFXFHO-UHFFFAOYSA-N 396.447 3.540 30 40 GHEB C=CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccccc1 4814739 KHZVQSJRGKXEJJ-UHFFFAOYSA-N 398.517 3.591 30 40 GHEB CCCOC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009243 IPZJVYJYMGUCHL-UHFFFAOYSA-N 393.468 3.580 30 40 GHEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(F)c(Br)c3)nc21 5571498 RDELMDZIYPMGNH-AWQFTUOYSA-N 399.227 3.864 30 40 GHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 6314349 RUPGOYYFMILJAB-UHFFFAOYSA-N 396.306 3.835 30 40 GHEB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccccc4C#N)C3=O)ccc2c1 6468535 XWYBBLZLOIGUDO-QHCPKHFHSA-N 385.423 3.687 30 40 GHEB COc1ccc2c(C)cc(N/N=C3\C(O)=Nc4ccc([N+](=O)[O-])cc43)nc2c1 6912312 NLEZAAICXSVKMB-UHFFFAOYSA-N 377.360 3.878 30 40 GHEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 21471690 PVSAKGCMWJVPDY-HUSFYUSLSA-N 390.439 3.854 30 40 GHEB CCOc1cc(/C=N/Nc2ccc(C(=O)OC)cc2)c(Br)cc1O 36612830 JIJANZCTOOMOIZ-VXLYETTFSA-N 393.237 3.786 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 36883767 IOWYESDIZWHBJY-IFXJQAMLSA-N 394.862 3.618 30 40 GHEB CCn1c(CN(C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccccc21 72308279 RJXOGBKWUWLYRE-GOSISDBHSA-N 389.503 3.823 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccccc2)s1 102797674 WCCGBZNCQJQWKU-IBOXJLQUSA-N 395.415 3.612 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1C[C@H]31 222248658 KNCBQTFWQZHXCK-FICINIDHSA-N 398.462 3.653 30 40 GHEB CO[C@@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)[C@@H]1CCOC1 598815829 WLRBPGNZRNLVRI-YLJYHZDGSA-N 384.863 3.796 30 40 GHEB CSc1ccc2nc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)sc2c1 2087050519 NSWKYULMHBNCFD-GJZGRUSLSA-N 393.541 3.857 30 40 GHEB C[C@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1ccc(OC(F)F)cc1 79071944 KOGWGTQAKPJOPF-SFHVURJKSA-N 382.313 3.657 30 40 GHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)S2)cc1 4976254 DHKDSAZMDDILMH-BOPFTXTBSA-N 382.441 3.604 30 40 GHEB O=C(C[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2)c1ccc([N+](=O)[O-])cc1 1840781 BIXDZKBKRYCRRT-QQHGCPPCSA-N 385.465 3.579 30 40 GHEB biogenic C=C(Br)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 57996839 QZIXBEGSPHZKGH-UHFFFAOYSA-N 383.249 3.573 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10638669 OPNQIOIMZPGCGG-ZIAGYGMSSA-N 398.413 3.990 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 3449876 DYVIJEYMGPHOKY-CQSZACIVSA-N 390.468 3.573 30 40 GHEB CO/N=C/[C@H]1C(=O)N(OCc2ccc(Cl)cc2Cl)C(=O)c2ccccc21 5209479 AVJOCMXQYKZJHM-MNPVBQOISA-N 393.226 3.823 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 6610173 PFJSPQVFXLKDOM-JOCHJYFZSA-N 391.427 3.706 30 40 GHEB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1sccc1C#N 7841097 JHGDVGPPSNHTII-NSHDSACASA-N 396.501 3.727 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O 409148392 YLLUTEDDQAVFRA-LDADJPATSA-N 378.428 3.661 30 40 GHEB C=CCn1ncc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1C 72396700 RSWGDSNUEBGXPL-OAHLLOKOSA-N 384.509 3.572 30 40 GHEB O=C1/C(=N\Nc2cccc(C(F)(F)F)c2)c2ccccc2N1C1CSC1 223718882 PLCGPYANKFWBAF-KQWNVCNZSA-N 377.391 3.984 30 40 GHEB N#CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531384228 XGENYXTUSPWGRI-PCLIKHOPSA-N 380.407 3.848 30 40 GHEB COc1cc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc(OC)c1OC 6180812 LRBHNXWZLUNEER-HIXSDJFHSA-N 392.411 3.717 30 40 GHEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5137787 PBEOYKGGYRJRCP-NVNXTCNLSA-N 385.224 3.948 30 40 GHEB COc1cc(OC)c(/C=N/c2ccc([N+](=O)[O-])cc2O)cc1Br 5512062 FNOGVQMUEQASRZ-CAOOACKPSA-N 381.182 3.831 30 40 GHEB O=[N+]([O-])c1ccc(NN=C2CCCCCC2)c(S(=O)(=O)N2CCCCC2)c1 5749637 KTFCFJAYRPLHPC-UHFFFAOYSA-N 394.497 3.892 30 40 GHEB C=CCn1c(SCC(N)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 5776459 GKTKUUKRMJQLDY-ZDUSSCGKSA-N 390.578 3.921 30 40 GHEB COc1ccc(/C=C2\Oc3cc(OCC#N)cc(C)c3C2=O)c(OC)c1OC 6756247 PLJFTRQKFJYZQN-YVLHZVERSA-N 381.384 3.539 30 40 GHEB biogenic C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59136019 IPDPYVHRCOQCMC-NTCAYCPXSA-N 380.400 3.509 30 40 GHEB N#Cc1c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc2c1CCCCC2 84613411 RSLIZNWGMUYKBA-AWEZNQCLSA-N 381.505 3.534 30 40 GHEB CCNC(=O)COc1ccc(/C=C2/CCOc3c(C)cccc3C2=O)cc1OC 96988719 PJHYNGITZFEMSU-ATVHPVEESA-N 395.455 3.567 30 40 GHEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl 102436320 WMJFDLJJXVXGPW-KMPOOHAWSA-N 377.227 3.873 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102864602 GWVGACKLZAIHMK-NHFXJNLRSA-N 388.398 3.843 30 40 GHEB CN1CCN(c2ncccc2CNc2c(C#N)cnc3c(Cl)cccc23)CC1 572397745 KLVOVGRCWMFCCK-UHFFFAOYSA-N 392.894 3.519 30 40 GHEB N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc2c(s1)CCCCC2 103505198 VRTXZYMXRAYVJQ-HNNXBMFYSA-N 396.468 3.749 30 40 GHEB N#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 409364827 MOEJYVSQZGQRDC-PDGQHHTCSA-N 378.409 3.508 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3F)nc2cc1OC 35311890 LFZRLSCVDHYKPI-UHFFFAOYSA-N 397.431 3.994 30 40 GHEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218550520 VFQWTRVRDPSFET-BZSNNMDCSA-N 379.840 3.575 30 40 GHEB C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1 599790120 HHNBYFWKOVAJCL-GDIGMMSISA-N 397.500 3.686 30 40 GHEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 13640580 BVKBMUWTEMZLNR-XQQFMLRXSA-N 394.397 3.697 30 40 GHEB O=[N+]([O-])c1ccc(/C=N/Nc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)cc1 4698063 BALSIQRYRCDUSO-RGVLZGJSSA-N 393.794 3.799 30 40 GHEB C[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 33438234 QTZOBSDLLWUIKM-KKJYDZESSA-N 386.408 3.588 30 40 GHEB Cc1cccc(C)c1NC(=O)[C@@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 6491273 GMGMKZMQQOCXPX-HNNXBMFYSA-N 378.815 3.954 30 40 GHEB O=C1CCCC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1O)C1=C(N2)c2ccccc2C1=O 1459753 CDUYZPLDZUEFFR-GOSISDBHSA-N 388.379 3.602 30 40 GHEB CC(=O)Nc1s/c(=N\N=C\c2cccc([N+](=O)[O-])c2)[nH]c1-c1cccs1 13549667 FUUTUXSLNPGWMX-RQZCQDPDSA-N 387.446 3.606 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)c1 19137675 GJWZWHFDESTEAL-OAQYLSRUSA-N 399.450 3.872 30 40 GHEB CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1cccc(C(=O)O)c1 5065718 KHLVLBMQIJPTHD-YBLIXAOFSA-N 381.457 3.685 30 40 GHEB COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c([N+](=O)[O-])c1 5172671 QQYWDCXUXQKZDK-UHFFFAOYSA-N 386.433 3.526 30 40 GHEB Cc1nnc(/N=C/c2cc(Br)cc(Br)c2O)s1 4350431 JOJMBCPRKONXTR-YIXHJXPBSA-N 377.061 3.828 30 40 GHEB C=CCSc1nnc(NC(=O)CCCOc2ccc(C(C)=O)cc2)s1 6608591 XJPKPSIXWAQHNO-UHFFFAOYSA-N 377.491 3.817 30 40 GHEB COc1ccc(CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 7794832 LPZOJXSQLQTUGI-UHFFFAOYSA-N 396.497 3.892 30 40 GHEB CNS(=O)(=O)c1ccc(/C(C)=N/Nc2cc(C)c3cc(C)cc(C)c3n2)cc1 7978457 MCXJUUYFIXCHDG-LFVJCYFKSA-N 396.516 3.904 30 40 GHEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccccc4)n3)cc21 19820175 XWHCDVFPVXGQTI-UHFFFAOYSA-N 391.452 3.974 30 40 GHEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCCc1ccccc1 17920024 GVAIEOFPJOZEKQ-UHFFFAOYSA-N 375.497 3.955 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCc2ccccc2C1 408730883 VHFPITWURUJUDI-HZHRSRAPSA-N 392.480 3.890 30 40 GHEB CCOC(=O)c1ccc(NC(=O)Cn2cc(C#N)c3cccc(CC)c32)cc1 409197702 MLQXCYOWRQZPHN-UHFFFAOYSA-N 375.428 3.891 30 40 GHEB COc1cc(C=Nn2c(S)nnc2C2CCCCC2)cc(OC)c1OC 253616944 AIWNWGILBNZOKU-UHFFFAOYSA-N 376.482 3.523 30 40 GHEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 252489896 KEOANONLOMOMHD-GZIVZEMBSA-N 378.333 3.847 30 40 GHEB CC1=C/C(=N\N2CCOCC2)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 16981534 MTTBFVUQPVUQHG-MIDUAYCOSA-N 388.352 3.523 30 40 GHEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1ccc(Cl)c(Cl)c1 5626208 BBTNNFAPJAICJI-CNHKJKLMSA-N 379.276 3.635 30 40 GHEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 2312533 GNGGZOMZRKKGJS-NUGSKGIGSA-N 396.765 3.692 30 40 GHEB CCCNC(=O)c1c(/N=C/c2ccc(OCc3ccccc3)cc2)cnn1C 2798429 JNWTVGIBHIRMJJ-ZVHZXABRSA-N 376.460 3.890 30 40 GHEB O=C(O)c1cccc(COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2)c1 4739383 FKDCKLIZULYDOY-SSDVNMTOSA-N 392.371 3.713 30 40 GHEB C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br 4837647 OQCZFBJEFUNRBJ-GHRIWEEISA-N 385.261 3.522 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 5303177 OPMBRKLGCASEFF-NRFANRHFSA-N 382.485 3.725 30 40 GHEB CCn1c([C@@H](C#N)c2cnn(-c3ccccc3)c(=O)c2Cl)nc2ccccc21 5728184 SZAILNRHWAYHJE-HNNXBMFYSA-N 389.846 3.911 30 40 GHEB Cn1ccnc1SCC(=O)Nc1c(C#N)c2c(c3c1CCCC3)CCCC2 12428199 RCZRTQHWRKKJBJ-UHFFFAOYSA-N 380.517 3.780 30 40 GHEB C/C(=N\OCC(=O)N1[C@@H](C)CCC[C@H]1C)c1nc2ccccc2n1C(F)F 12600405 IUIDBAQVTBBOKP-XETWBNPHSA-N 378.423 3.962 30 40 GHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2c(F)cc(F)cc21 40133718 ODJKCGXHJZFFMC-UHFFFAOYSA-N 386.398 3.983 30 40 GHEB O=S(=O)(/N=C(\O)CCc1ccc(-c2ccccc2F)o1)N1CCCCC1 64620047 KMPXAUGTUUGAHT-UHFFFAOYSA-N 380.441 3.706 30 40 GHEB N#Cc1ccc(N2CC[C@H](N3CCCc4cc(OC(F)F)ccc43)C2=O)cc1 65597420 AWIXGHZMSZHQNB-IBGZPJMESA-N 383.398 3.718 30 40 GHEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccc(F)c(F)c1 103504279 OPXSVXMQRKFXBF-LLVKDONJSA-N 378.762 3.896 30 40 GHEB C=CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1 409335125 YWZOLOTWAACRFG-GHRIWEEISA-N 396.493 3.798 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 3094367 JKXAWBAXKZRPLV-FQEVSTJZSA-N 385.460 3.625 30 40 GHEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1ccc2ccccc2c1O 7978909 RACADFGJJNFNEN-UHFFFAOYSA-N 386.363 3.959 30 40 GHEB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23436968 OLKCLSRGDHMGPL-UHFFFAOYSA-N 398.510 3.610 30 40 GHEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1cccc([N+](=O)[O-])c1 3199708 GFVMCEFQHLSXMK-QGZVFWFLSA-N 385.445 3.614 30 40 GHEB C=CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(F)cc3)N2C1=S 4026332 JHNUCOSZQCMLMG-ICSRJNTNSA-N 391.471 3.936 30 40 GHEB biogenic COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1 6786016 IITGUDOVGHXTIW-MRXNPFEDSA-N 375.808 3.548 30 40 GHEB C=CCN1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O 15011670 MSIFIRAWSUDMNB-ATVHPVEESA-N 396.830 3.567 30 40 GHEB Cc1cc(/N=C\c2cccc([N+](=O)[O-])c2O)ccc1I 409101717 XKDQRIRGLDCYAH-PXNMLYILSA-N 382.157 3.964 30 40 GHEB C=CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1 225067359 NULUJXIIRFGPIY-UHFFFAOYSA-N 397.452 3.685 30 40 GHEB COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)c2C#N)cc1OC 19832467 NFPRNUQWMVMAKB-UHFFFAOYSA-N 376.372 3.795 30 40 GHEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cccc(C)c21 32095250 GNEDMGJAZGKWHT-DEOSSOPVSA-N 396.450 3.747 30 40 GHEB Cc1ccc2nc(NCc3ccccc3)c(/C=N/Cc3cccnc3)c(=O)n2c1 2686466 HXODNPFTNMVRAF-MFKUBSTISA-N 383.455 3.629 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 6829528 VGGZQNVGFUANKB-WLXWMWPUSA-N 386.451 3.797 30 40 GHEB N#CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 1093933 RAKWDQWMBUADHW-VUUXHMSQSA-N 390.442 3.757 30 40 GHEB N#Cc1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc2c1CCCC2 2421988 MFTUMEFDMJUFBQ-UHFFFAOYSA-N 386.458 3.872 30 40 GHEB C=C(Br)CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 60114544 LMDDOJXLFBHHTN-QGZVFWFLSA-N 387.277 3.573 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409047621 PEQUBSREXVTDTQ-LDADJPATSA-N 394.408 3.843 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 4427147 JRDUEUYEDZIWHG-YJBOKZPZSA-N 399.468 3.514 30 40 GHEB COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)ccc1O 18038125 OVPSESPSUPGEOV-LJQANCHMSA-N 381.428 3.635 30 40 GHEB CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O 2297127 ZUYSETILOAOKGJ-HTIXJGPSSA-N 397.500 3.948 30 40 GHEB CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccc(F)cc2)c(OC)c1)C(F)(F)F 4770024 JNXXJGNEYFKWKI-SFQCIDFKSA-N 399.340 3.898 30 40 GHEB O=C(C[C@@H]1S/C(=N\N=C2CCCC2)NC1=O)Nc1cc(Cl)ccc1Cl 5447812 VQEBZKZMNCRBJN-ZDUSSCGKSA-N 399.303 3.840 30 40 GHEB N/C(=N\O)c1ccc2oc(/C=C\c3cc4cc(/C(N)=N\O)ccc4o3)cc2c1 5575012 IXRPBLVKQSXSGP-ARJAWSKDSA-N 376.372 3.538 30 40 GHEB C=CCn1c(CC)nnc1SCC(=O)Nc1ccccc1Br 9328427 MZLJSDJWHRTVFU-UHFFFAOYSA-N 381.299 3.520 30 40 GHEB Cc1cccc(NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)n1 53319240 NKCLIHSKBNICFR-LLVKDONJSA-N 382.182 3.523 30 40 GHEB C=CCc1ccc(OCC(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)c(OC)c1 58210791 JEPBPCIQSFCMSC-WSTZPKSXSA-N 386.536 3.666 30 40 GHEB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)CC#N)c([N+](=O)[O-])c2)c(C)c1 58406822 DWWXULNFAFUGJQ-AWEZNQCLSA-N 388.449 3.727 30 40 GHEB O=C1C(=O)N(c2nccs2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102924811 YZCGKNQJDQLDPI-IBOXJLQUSA-N 380.400 3.909 30 40 GHEB O=C(C[C@@H]1CC2=C(C[C@H](c3ccc(F)cc3)CC2=O)NC1=O)Nc1ccccc1 1548338296 COOODIBFBIBIOI-HOTGVXAUSA-N 392.430 3.691 30 40 GHEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 13018683 USQATOBQESXGHE-UHFFFAOYSA-N 395.507 3.970 30 40 GHEB COc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1cccc(C)c1 4600140 BYVIBGIDVKZRSZ-FOKLQQMPSA-N 386.839 3.589 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/CCCC[C@@H]2C)c([N+](=O)[O-])c1 33042602 UEXVOWYQFWDWPJ-VLFBTDHHSA-N 382.486 3.603 30 40 GHEB C=CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409072103 BFFLXEFZEVSXBK-VCHYOVAHSA-N 377.198 3.763 30 40 GHEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(Cl)cc1 224719229 DLBZMQZIAQRBGI-UHFFFAOYSA-N 379.865 3.898 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)nc1 585139656 UKVQWEAYZWLGKF-OIGCPZIVSA-N 376.526 3.502 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102726435 PGJXERQWXDWQNP-SELCWUDQSA-N 378.384 3.819 30 40 GHEB Cc1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 2617648 YZAKZROGQWXAPN-KRWDZBQOSA-N 375.523 3.737 30 40 GHEB C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1)C1CCCCC1 4689527 BBXMAEBEBIBRPX-HNEZCVDCSA-N 390.484 3.698 30 40 GHEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OC(F)F)cc1OC(F)F 5560662 YWOSMZWFHGLJTC-NUGSKGIGSA-N 395.312 3.790 30 40 GHEB C=CC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 7850740 UZJXDWPJRYBVJN-KRWDZBQOSA-N 381.457 3.581 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1C[C@H]1CCCO1 8838353 BYADVRHRLDWRHH-FZKQIMNGSA-N 399.468 3.514 30 40 GHEB COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1OC 16677850 RLJBVFPNYIGGEH-HMAPJEAMSA-N 389.883 3.522 30 40 GHEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cc(F)cc(F)c1 18222043 RQLLVSNAMTWVIM-NXSYQRQQSA-N 384.308 3.843 30 40 GHEB N#C/C(=N/Nc1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33958454 GAJIRMRBWZGLEW-STZFKDTASA-N 394.372 3.966 30 40 GHEB C=CCc1cc(/C=N/Nc2ccc3ccccc3n2)cc(OC)c1OCC(=O)O 59249838 QPRVFRQPLITPCL-YDZHTSKRSA-N 391.427 3.881 30 40 GHEB COc1ccc([C@@H](C#N)NC(=O)/C=C/c2nc3ccccc3s2)c(OC)c1 71847786 IGBYFGJCSCQDFQ-ZNFPLGDCSA-N 379.441 3.708 30 40 GHEB CC(C)n1cnnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 95953353 JOSWKBZYXRKYGV-CYBMUJFWSA-N 375.523 3.984 30 40 GHEB C[C@@H](OCCO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)[C@H](C)[C@@]21C 118922819 QYNFANMFCUHLFE-RFWKZJIASA-N 390.564 3.749 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)n1 7985672 QXJZREIKILGGBK-GJBLVYBDSA-N 394.374 3.903 30 40 GHEB COc1ccc(-c2nnc(S/C(=N/Nc3ccccc3C)C(C)=O)n2C)cc1 1241215 BURIFMLEAANIRS-FCDQGJHFSA-N 395.488 3.906 30 40 GHEB Cc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3cc(Br)ccc3O)cnc12 2448323 YPDXDFHTMXHTRO-ODCIPOBUSA-N 397.232 3.537 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N2 7990953 ONEOIOKIOQBQJU-ZDUSSCGKSA-N 389.502 3.504 30 40 GHEB C=CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(C)cc1 33537764 LZLXFDFNIRCFKV-UHFFFAOYSA-N 378.501 3.995 30 40 GHEB CC/N=C1/S/C(=C/c2cc(Br)cc(OCC)c2O)C(=O)N1CC 33294105 XYLUMLOMMUWRGT-WXLRXACCSA-N 399.310 3.866 30 40 GHEB Nc1c(Br)cc(Br)cc1/C=N\C1CCC(O)CC1 1569995244 PACIGGABLPTEDO-IDUWFGFVSA-N 376.092 3.516 30 40 GHEB CO/N=C/[C@@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1 5209475 JINIHYZPNZXVIJ-UWPAOYMWSA-N 392.786 3.901 30 40 GHEB Cc1cccc2c1[nH]c1nc(N/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)nnc12 19827275 FUVHLWFYTNIRPI-FBCYGCLPSA-N 397.782 3.528 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(Cl)cc2)no1 102803957 RRIWIRZHFVYHKC-IBOXJLQUSA-N 384.775 3.856 30 40 GHEB Cc1ccccc1COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 657865 TXPIXHVXPFCXHG-PXLXIMEGSA-N 380.469 3.886 30 40 GHEB C#CCOc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1 6295394 BHUFODVNAASUOW-IBGZPJMESA-N 381.522 3.713 30 40 GHEB C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccccc1OC 6948240 MVNLMOBAGFHWFG-UHFFFAOYSA-N 388.537 3.877 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)n1 7985673 QXJZREIKILGGBK-VBROQKIQSA-N 394.374 3.903 30 40 GHEB CCOc1ccc(CC(=O)C2=C(N)C[C@@H](c3ccccc3)CC2=O)cc1OCC 100155608 VYEWWMSWVYUKSU-GOSISDBHSA-N 393.483 3.955 30 40 GHEB CC1=NOC(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 408944755 UZSKTSAACBLPMS-OQLLNIDSSA-N 391.832 3.732 30 40 GHEB O=C(C[C@@H]1S/C(=N/c2ccccc2C(F)(F)F)NC1=O)Nc1ccccc1 7850678 RMADTFVGSWNDAX-AWEZNQCLSA-N 393.390 3.953 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccccc2Cl)nc1 8128617 RFNZEVPKSUYZHO-DEDYPNTBSA-N 380.901 3.602 30 40 GHEB CCOC(=O)c1[nH]c2ccccc2c1/N=C(\O)CCN1CCC(C(=N)O)CC1 82050036 HOYSWMBBCOJWCJ-UHFFFAOYSA-N 386.452 3.570 30 40 GHEB COc1cc(/C=C/c2nc(C#N)c(NCc3ccco3)o2)cc(OC)c1OC 8469944 KZDPUDMDOYSOMO-VOTSOKGWSA-N 381.388 3.948 30 40 GHEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C1=O 409128935 JJAKTRUFFRTPDM-XBUHWIKASA-N 378.856 3.995 30 40 GHEB COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c(OC)c1 20503642 TXABNYOKFYGPGA-UHFFFAOYSA-N 385.427 3.867 30 40 GHEB CCOC(=O)c1cc(C#N)c(SCCOc2cccc([N+](=O)[O-])c2)nc1C 40127527 FOMLRUCDSDTMBO-UHFFFAOYSA-N 387.417 3.518 30 40 GHEB N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1c[nH]nc1-c1nccs1 583851579 UCKMKIOJNBTNMH-HOCLYGCPSA-N 378.461 3.837 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 19202146 YRSQJYOYYVWLMC-AWQFTUOYSA-N 398.297 3.758 30 40 GHEB N#Cc1ccc(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1 5796836 IISFKHZAFKDJRC-UHFFFAOYSA-N 377.351 3.725 30 40 GHEB C=CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2ccccc21 100874256 VGGQAUOSBTUDAB-MRCUWXFGSA-N 384.457 3.656 30 40 GHEB Cc1sc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C 4570352 RMUPGDNJDBDMNB-UHFFFAOYSA-N 382.894 3.693 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1F 4814608 DSEYWMMJTBTPLD-NSHDSACASA-N 389.481 3.846 30 40 GHEB C=C(C)C[C@@H]1N(c2cccc3ccccc23)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 5216975 UNQJGGLNVXXYSR-YCNIMBIBSA-N 375.424 3.546 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3ccc(Cl)cc3)c3n2CCC3)cc1 13777205 GCQSIYJLERZIFG-UHFFFAOYSA-O 382.871 3.690 30 40 GHEB C=CCN(C(=O)CCn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2 18698680 SSTDVKGVAXTPBV-UHFFFAOYSA-N 383.473 3.539 30 40 GHEB O=c1c2ccccc2ncn1/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 21361771 QLQLXUHHLZSZFM-VULFUBBASA-N 392.422 3.526 30 40 GHEB O=C(Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1/C2=N/O)C(F)(F)F 22246399 AMEQBBSTQFLCDZ-BKUYFWCQSA-N 385.685 3.956 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2nc(C)nn21 22608810 VBWZTSCFTGAJSS-QKKBWIMNSA-N 390.443 3.994 30 40 GHEB CCC(CC)C(=O)N1CCC(=NOCC(=O)Nc2ccc(C)c(F)c2)CC1 32932719 IEAFROAHIFBJDH-UHFFFAOYSA-N 377.460 3.504 30 40 GHEB OCCN(CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 67191234 IGMDWLAMTIDLGJ-VWLOTQADSA-N 377.528 3.952 30 40 GHEB C[C@@H]1CCc2ccccc2N1C(=O)CO/N=C(/N)c1cccc(C(F)(F)F)c1 84705445 FJEZBQFDFFFHLG-CYBMUJFWSA-N 391.393 3.710 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccccc2OC)sc2cc(NC(C)=O)ccc21 100874940 VRBYUODUEYARMA-XDOYNYLZSA-N 381.457 3.597 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC[C@@H]2C)n1 225925104 DEJZPDZYTVBBLP-INIZCTEOSA-N 388.585 3.708 30 40 GHEB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 596895613 VUKXPXTWTQCQPH-LBPRGKRZSA-N 384.402 3.699 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1cccs1 12272197 XFNCCUNOJLPICJ-NRFANRHFSA-N 391.496 3.763 30 40 GHEB COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccc1 4957312 GPMYXJWWOPSOAQ-NKWDDMGQSA-N 397.500 3.683 30 40 GHEB CN1NC(C(=O)/N=C2\C=C(C(F)(F)F)C=C\C2=N\C2CCCCC2)=CC=C1O 104945440 BQRUCFAKDWSROR-JWBURUHRSA-N 394.397 3.520 30 40 GHEB N#Cc1c(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 103913363 FISDKJDTRLRJGM-LPYMAVHISA-N 396.472 3.994 30 40 GHEB C[C@H](Sc1ncnc2c1cnn2C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 36397060 LBYNGHNWZSXIOA-SGPNVBEDSA-N 393.516 3.725 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C(F)(F)F)C2=O)c1 408538011 YLXAQKYLSOQVPM-CYBMUJFWSA-N 389.333 3.615 30 40 GHEB COc1cc(NC(=O)[C@@H](C#N)Cc2cn(C)c3ccccc23)cc(OC)c1OC 49544283 XAPMQNQOEVCMLT-CQSZACIVSA-N 393.443 3.525 30 40 GHEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5442093 YZZDWEPIPXQXKU-GRSHGNNSSA-N 381.384 3.872 30 40 GHEB COc1ccc2cc(/C=C/C(=O)OCC(=O)NC3(C#N)CCCCC3)ccc2c1 6654597 ICIJVWUTAOTQFU-UXBLZVDNSA-N 392.455 3.747 30 40 GHEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1 7712869 HCEFWYNSZHPNKK-FMIVXFBMSA-N 375.371 3.651 30 40 GHEB N#Cc1cccc(/C=C/C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1 69327605 UEFXTFUXGUEOGU-FNORWQNLSA-N 381.426 3.630 30 40 GHEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OC 409080541 IKZVGHNKNSWNLS-JYRVWZFOSA-N 388.217 3.811 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 36611464 DXROISMKICEWBC-UFWORHAWSA-N 380.832 3.976 30 40 GHEB C[C@@H]1Cc2sc(NC(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@@H](C)C1 571170383 VZUAAJJOTZUKQJ-RYUDHWBXSA-N 381.461 3.791 30 40 GHEB CCCCc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 19797503 QBYAKQPQDGIXRD-ZNTNEXAZSA-N 377.488 3.786 30 40 GHEB Cc1cc(C)c2nc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)sc2c1 2086868824 PTPKSGLKZDCKRD-IAGOWNOFSA-N 375.501 3.752 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4[C@@H](C)C=C(C)C[C@H]4C)c(O)nc3c2c1 17112525 VJKINILCVSZAGY-WVBZVYPGSA-N 380.448 3.664 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(OCC)c21 100910042 SMULAWLDGSAPDU-DQRAZIAOSA-N 378.453 3.678 30 40 GHEB N#Cc1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 2627361 RNUAGVMTWKQYLJ-UHFFFAOYSA-N 380.407 3.569 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC 102494383 FJYBCWDKODRYGV-YDJIHCHBSA-N 395.455 3.926 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1cccs1 102510723 DTLJYAIQAQEZCC-GHNGSUTGSA-N 394.427 3.904 30 40 GHEB O=c1oc2ccccc2cc1-c1cs/c(=N\N=C\c2ccc([N+](=O)[O-])cc2)[nH]1 4791686 NZRHBPFXGMWXIU-KEBDBYFISA-N 392.396 3.693 30 40 GHEB C=CCOc1c(Br)cc(CNn2c(C)n[nH]c2=S)cc1OCC 6892289 AVHSBUHBJFUBQD-UHFFFAOYSA-N 399.314 3.719 30 40 GHEB N#Cc1cccc(CN2C[C@H]3c4nc(NCc5ccccc5)ncc4C[C@H]3C2)c1 306142446 WZLRZRWTRXWEHQ-FCHUYYIVSA-N 381.483 3.732 30 40 GHEB COc1ccc(-c2csc([C@]3(C(N)=O)O[C@H]3/C=C/c3ccccc3)n2)cc1 9419450 KSOBMKGLKWMHDL-LOQACUCDSA-N 378.453 3.612 30 40 GHEB biogenic COc1cccc(C(=O)[C@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 103503079 ITRYREJMAHDFPW-SFHVURJKSA-N 377.375 3.534 30 40 GHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc2c(c1)OCO2 13372248 VLEOLWURHUNZFV-NKVSQWTQSA-N 379.376 3.572 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N(C)c2ccc(O)cc2)cc1 100871558 WLLSVBFZRLQFOD-QURGRASLSA-N 380.469 3.973 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)c1 18168407 BKKRVUNQEQDIOV-SFHVURJKSA-N 394.383 3.676 30 40 GHEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 9012362 FVKPJXSONXCYPI-MPBGBICISA-N 376.391 3.539 30 40 GHEB N#C[C@H](C(=O)c1ccc(C(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 51656625 YFPQUPGRLGXCJJ-GFCCVEGCSA-N 389.358 3.904 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 1451106 HNTGEFIVOJSMHJ-QGZVFWFLSA-N 396.424 3.836 30 40 GHEB COC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C#N)c1C 998131 SODNFBVNZVZUHD-JTQLQIEISA-N 378.837 3.774 30 40 GHEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 25649293 QXAQISXJTUWOTR-UHFFFAOYSA-N 378.409 3.578 30 40 GHEB CC(C)(C)c1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1 27794197 QBINSVMOPNIJMM-QGZVFWFLSA-N 388.899 3.983 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3ccccc3Cl)c3n2CCC3)cc1 27299646 LDFXHAUSJBHRKB-UHFFFAOYSA-O 382.871 3.690 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(c4ccccc4F)CC3=O)n2)cc1 13570306 ISOGATNHJVAVOA-UHFFFAOYSA-N 381.432 3.674 30 40 GHEB NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1c(Cl)cc(Cl)cc1Cl 6062236 YHTSLBREMXLAKZ-FYJGNVAPSA-N 382.638 3.734 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc(OC(=O)N(C)C)c3C)C2=O)c(OC)c1 6167235 QFFKNSFWTLVRDB-ZDLGFXPLSA-N 383.400 3.689 30 40 GHEB biogenic C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c[nH]c3ccccc23)C1=O 7007129 DAXCKIDZEDFWQU-DGPKFNOPSA-N 398.369 3.570 30 40 GHEB CNC(=S)[C@H](C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 17173048 DCPILRDBAHCJQC-GOSISDBHSA-N 386.480 3.507 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)no1 8556471 KSMZXWXFGSKSHX-MRXNPFEDSA-N 384.388 3.967 30 40 GHEB N#CCn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409071109 NIHFXLXQROLUDT-LICLKQGHSA-N 376.803 3.916 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)cc1C 197609734 VVBJENCHXOZIPJ-LJQANCHMSA-N 375.424 3.745 30 40 GHEB CCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C(=O)OC)cc1 12467097 QBXLWQVXUSJMQI-MSYUKONTSA-N 382.441 3.803 30 40 GHEB CC/N=C1\S/C(=C\c2cc(OCC)c(O)cc2Br)C(=O)N1CC 13555310 GZSFHLWVIMNVMW-ABTZFFQLSA-N 399.310 3.866 30 40 GHEB COc1ccc(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)c(OC)c1 15324004 GYWZBRNONYGTLO-UHFFFAOYSA-N 395.440 3.716 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 667741 BRXIQPZDATWWJR-UHFFFAOYSA-N 398.406 3.910 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(C)c1 1274522 NDKRISOEDOWGCA-UHFFFAOYSA-N 381.457 3.826 30 40 GHEB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c(C#N)c2c1CCCC2 1471609 OFKWOLSWEOQAED-UHFFFAOYSA-N 381.457 3.600 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 2800988 XBBLNGSYLPHFPS-FQEVSTJZSA-N 385.460 3.712 30 40 GHEB C[C@H](CCc1ccccc1)NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 3328867 TYBRQKIIAKPSPD-LJGKHRNASA-N 376.403 3.776 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 4807116 CUSPDHDCWUILRS-UHFFFAOYSA-N 397.843 3.512 30 40 GHEB Cc1ccc(C[C@H]2SC(N/N=C/c3ccccc3OC(C)C)=NC2=O)cc1 6502040 DIQACYUVBFUZRX-PPRFWAEMSA-N 381.501 3.946 30 40 GHEB CC[C@H](C)c1ccc(C(=O)COC(=O)C2=C(Nc3ccccc3)OCC2=O)cc1 6654002 BGLQCJFWRRPAGF-HNNXBMFYSA-N 393.439 3.849 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)C2=O)cc1 8992364 JDPYCPPOJMKLGF-QREGZJMFSA-N 393.439 3.642 30 40 GHEB Cc1cc(=O)c(C(=O)Nc2ccc(C#N)c(Cl)c2)nn1-c1ccc(Cl)cc1 12820993 YPPVSXGDEASSQZ-UHFFFAOYSA-N 399.237 3.972 30 40 GHEB CC(=O)/C(=N/Nc1cccc(Cl)c1)Sc1nnnn1-c1ccc(C)cc1 13801753 WTKPOOVIWVZOTI-SILNSSARSA-N 386.868 3.731 30 40 GHEB Cc1cc(C)c(/C=N/Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(C)c1 24046390 FVQUKQPOBBZRMZ-HYARGMPZSA-N 386.521 3.627 30 40 GHEB Cc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)N2CCOCC2)cc1 27792951 OHBBSYFOKISYNF-GOSISDBHSA-N 378.432 3.600 30 40 GHEB C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 60379413 VKGJMQCEPJXKNP-HSZRJFAPSA-N 382.423 3.587 30 40 GHEB NC(=O)c1c(/N=C\c2cc(Br)ccc2O)sc2c1CCCC2 100484803 USJUBHRVUQVEKJ-UWVJOHFNSA-N 379.279 3.945 30 40 GHEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2cccc(Br)c2o1 103613716 IMIFHQIKKUPDHX-NSHDSACASA-N 384.189 3.551 30 40 GHEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(Cl)cc1 408725737 HEEVETDIIQJUAZ-ZVHZXABRSA-N 385.903 3.562 30 40 GHEB Cc1cccc(-n2nc(C(=O)O)c(/C=C\c3ccccc3Cl)c(C#N)c2=O)c1 409194304 JSOIXNUUMMVVOL-KTKRTIGZSA-N 391.814 3.935 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OC 409197495 GZMPBUHMMLMQSL-CPNJWEJPSA-N 392.455 3.915 30 40 GHEB N#CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409343205 HTPPAXBRSPCYDS-MFOYZWKCSA-N 396.449 3.723 30 40 GHEB COc1ccccc1-c1nc(C2CCN(c3cc(C)ncc3C#N)CC2)no1 567720837 DMPWQNUMBWFPHW-UHFFFAOYSA-N 375.432 3.704 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1CN1CCCC1 8982490 LEPVLOLDMIGLPU-UHFFFAOYSA-N 388.471 3.776 30 40 GHEB COC(=O)COc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10118751 PYKBYFPFPLWPIN-LSHDLFTRSA-N 397.258 3.678 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12262677 UZBSFUXQNVUJEJ-UHFFFAOYSA-N 399.403 3.528 30 40 GHEB N#Cc1ccnc(N2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)c1 12909757 ZSUBYYAYVTXSRJ-UHFFFAOYSA-N 398.495 3.952 30 40 GHEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716363 LWTFILGQRJXBIZ-FQEVSTJZSA-N 399.516 3.553 30 40 GHEB CC(C)c1cccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2=O)c1 31432987 OCMHMQQOXNNAKB-UZLBHIALSA-N 375.472 3.912 30 40 GHEB N#Cc1ccnc(N2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)c1 33244339 OHRDAQITWLOAEV-UHFFFAOYSA-N 389.286 3.541 30 40 GHEB N#Cc1ccc(S(=O)(=O)/N=C(\O)COC2CCCCC2)cc1C(F)(F)F 48514285 KCENQIJADNRGKJ-UHFFFAOYSA-N 390.383 3.572 30 40 GHEB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)CC#N)c([N+](=O)[O-])c2)c(C)c1 58406823 DWWXULNFAFUGJQ-CQSZACIVSA-N 388.449 3.727 30 40 GHEB Cc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(Cl)cc2)c(C#N)c1=O 409206496 KDWZEHJVRFYYNH-FLIBITNWSA-N 391.814 3.935 30 40 GHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 4119619 SBRHMXYKDZSSFM-TZIWHRDSSA-N 395.411 3.923 30 40 GHEB CCSC1=N[C@@H](c2ccc(NC(C)=O)cc2)[C@@]2(C#N)C(N)=NC(SCC)=C12 4727233 XEJJXOARHAGLFI-KXBFYZLASA-N 399.545 3.697 30 40 GHEB N#Cc1c(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)sc2c1CCC2 5309748 WWNVAKGRCFWIFN-UHFFFAOYSA-N 389.893 3.764 30 40 GHEB COCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc21 12550729 FFLNGSFAGCGOTM-CQSZACIVSA-N 380.473 3.674 30 40 GHEB CCc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2nccs2)N(CC)C1=O 13116586 JQORUSSEOMDZBX-DLFJBECYSA-N 388.518 3.686 30 40 GHEB CCN(/C(=N/S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccc(OC)cc1 28628343 XJEQZLCUSKYXJZ-LTGZKZEYSA-N 386.395 3.871 30 40 GHEB CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O 57426425 CXNOXCZRMLNBHM-UHFFFAOYSA-N 398.513 3.861 30 40 GHEB COc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 62580327 USYQJDLTVUVLSK-GOSISDBHSA-N 383.879 3.866 30 40 GHEB C#CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 72284849 FLRKONFLBFSADV-RDTXWAMCSA-N 385.508 3.923 30 40 GHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223549233 VSFAFSDOSZECLD-QFIPXVFZSA-N 380.488 3.867 30 40 GHEB CCOC(=O)CN1C(=O)/C(=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 409385650 BSGOPBLOOCGURL-FCDQGJHFSA-N 393.468 3.529 30 40 GHEB Cc1cc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)c(O)c([N+](=O)[O-])c1 6714397 CMQLWRMPISVFDC-RGVLZGJSSA-N 375.812 3.849 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccco1 29547559 UXTWJTWVWLIKIL-UHFFFAOYSA-N 399.432 3.672 30 40 GHEB O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1cccnc1 2323034 AOXAJHIKBJCHNU-UHFFFAOYSA-N 381.251 3.884 30 40 GHEB C#CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OCC 3667732 DXILWRCEQZAGSL-JXAWBTAJSA-N 398.528 3.830 30 40 GHEB C=C(C)CN(CC)C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907407 MRGVUTVQDYAMLZ-UHFFFAOYSA-N 399.541 3.964 30 40 GHEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3cccs3)c2c1 8023998 GSJMQEJYYUTRDY-LJQANCHMSA-N 396.468 3.765 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/N=C2\N=C(O)[C@H](Cc3ccccc3[N+](=O)[O-])S2)c1 9359399 PKGFZIGMOSHTTC-ZNBBLSJYSA-N 399.388 3.508 30 40 GHEB FC(F)C(F)(F)CN1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 97020403 XCAHOVYQRKSCTP-UHFFFAOYSA-N 388.327 3.646 30 40 GHEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccc(O)cc1 408753817 QNUYVDXKENCXMI-VGOFMYFVSA-N 375.793 3.845 30 40 GHEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C 33677158 OHASNDIAVXNFRZ-VXLYETTFSA-N 379.327 3.675 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1 225647191 RCYHMAPFIPPRPM-UHFFFAOYSA-N 381.501 3.865 30 40 GHEB O=C1/C(=N\Nc2ccccc2)c2cc(C(F)(F)F)ccc2N1C1CSC1 223743376 NDSFXHHYOHDRCS-KQWNVCNZSA-N 377.391 3.984 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ncnn21 19959873 PMKQZSFJBPZUOL-XCLFUZPHSA-N 376.416 3.686 30 40 GHEB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC 4136509 LBPUMDZYLHYBRO-HXUWFJFHSA-N 399.487 3.871 30 40 GHEB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)Nc1ccc(OCC#N)cc1 40130670 CYEQMQUPFCPKJL-UHFFFAOYSA-N 396.397 3.851 30 40 GHEB COc1cc(OC)c([C@@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)cc1OC 20728936 MTORMFRZHVNHPG-OAQYLSRUSA-N 393.443 3.918 30 40 GHEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc([N+](=O)[O-])c(C)c1 2792368 DFHYPLLDMOCGIA-AWQFTUOYSA-N 399.432 3.627 30 40 GHEB C/C=C/C=C/[C@H]1C=C[C@H]2C[C@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@@H](C)O)C1=O 100066072 AIFXMSDWXBFQTF-BSZXFOTRSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro N#Cc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 58209711 VQTCZEIESIKZPC-KRWDZBQOSA-N 377.469 3.923 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)nc2)sc2c1CCCCC2 3246635 WIARXGGDGVLWSP-UHFFFAOYSA-N 389.864 3.733 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc2ccccc2c1 7060804 ZRJWNPXEDLPUQV-UHFFFAOYSA-N 394.814 3.926 30 40 GHEB CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(C)=O)c2)S/C1=N\c1ccccc1 16949303 BNVLEFPCENDIEC-GLEDVZQVSA-N 395.484 3.869 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(OCc2ccc(F)cc2)c1 409359917 OGZLSLTXIOANHL-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB CCCN1C(=O)N/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 409243709 ZRYPZJMETKVVKL-UDWIEESQSA-N 384.439 3.864 30 40 GHEB COCc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1 585293417 HCCCEMJIBSLGDW-HXUWFJFHSA-N 390.447 3.563 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409875 DSJULCIZTYQBLD-OAHLLOKOSA-N 398.465 3.996 30 40 GHEB C[C@@H]1CN(Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 30001619 YMYDZTARLNRQFV-HZPDHXFCSA-N 380.448 3.688 30 40 GHEB CC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1 2227706 QNHFSFNKDDWYKO-UHFFFAOYSA-N 385.423 3.788 30 40 GHEB C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 3226620 DADRXQIQZVGSRF-QGZVFWFLSA-N 396.512 3.641 30 40 GHEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 4331429 VERFOJHXKWUGDK-AWEZNQCLSA-N 381.505 3.766 30 40 GHEB C=CCNc1nnc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)s1 5784246 WOVHNTGNCHWXBN-IWERZKIRSA-N 378.567 3.702 30 40 GHEB Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccs2)n(Cc2ccco2)c1C 14184888 ZURNBVFCDQSCGH-AWEZNQCLSA-N 382.489 3.969 30 40 GHEB COc1cc(/C=N/O[C@H](C)C(=O)N(C)c2ccccc2)cc(Cl)c1OC 14340855 CYMLMBJCBCKYFO-LNOXHEFASA-N 376.840 3.759 30 40 GHEB COc1cc(/C=N/OCCOc2ccccc2C(C)=O)cc(Cl)c1OC 14359856 SVSBADRRNNQJDI-CIAFOILYSA-N 377.824 3.989 30 40 GHEB COc1cc2c(c(OC)c1)[C@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2 18200477 YMCHXYNUPJSRKO-HXUWFJFHSA-N 381.428 3.983 30 40 GHEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccccc1Br 36611918 DAMFUKLEOMPFNQ-UHFFFAOYSA-N 395.054 3.980 30 40 GHEB CC(C)c1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)ncc(C#N)c2=O)cc1 49006176 HUQWGGLKOJDLGQ-UHFFFAOYSA-N 390.418 3.683 30 40 GHEB N#Cc1c(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc2c1CCCCC2 84613412 RSLIZNWGMUYKBA-CQSZACIVSA-N 381.505 3.534 30 40 GHEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCCn3cccn3)cc1)C2 95477312 ROOHXABMCYSYTC-PDGQHHTCSA-N 390.439 3.802 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1cccnc1 103343224 GHJUTGZZZGEPNL-YQQAZPJKSA-N 385.537 3.559 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(OC)cc1 224870377 TYRQQSVKSRLWEF-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB COC(=O)c1sc(NC(=O)COc2cccc3ccccc23)c(C#N)c1C 408628993 HEWFOTIGCSLAHJ-UHFFFAOYSA-N 380.425 3.886 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3cccc(Cl)c3C)C(=O)NC2=S)cc1 408760123 RZEMGBZNRQGSQD-LKEIMFIWSA-N 385.876 3.723 30 40 GHEB O=C(O)c1cc(/N=C\c2cc(Br)c(N3CCCC3)o2)ccc1O 408806772 BFXQWZFXPIKBDF-NVMNQCDNSA-N 379.210 3.797 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1ccc(-c2cccc(Cl)c2)o1 408881323 IUVVCKYNMGDRRT-WDYSCTGBSA-N 392.842 3.987 30 40 GHEB COC(=O)C1=C(Nc2ccccc2)SC/C(=C\c2ccc(OC)cc2)C1=O 1505840542 OGNGWFGOVCOBDG-NTCAYCPXSA-N 381.453 3.891 30 40 GHEB CC(C)C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1Cc2ccccc2C1=O 1544452193 QOTYTLGIVHVUTM-OAQYLSRUSA-N 387.483 3.734 30 40 GHEB CS(=O)(=O)c1cccc2sc(N3CCC(C#N)(c4ccccc4)CC3)nc12 1889019019 MBEVCNGTGXTSBP-UHFFFAOYSA-N 397.525 3.762 30 40 GHEB COc1ccc2cc(C#N)c(SCC(=O)N3CCc4ccccc43)nc2c1 1354677 ZDHFGAIPYDTTKP-UHFFFAOYSA-N 375.453 3.796 30 40 GHEB CC(=O)c1cc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)nc1C 859183 MMWMAZHJZUTAJB-UHFFFAOYSA-N 378.409 3.546 30 40 GHEB O=C(c1ccc(Br)cc1)N1CCC(/C(O)=N/CC(F)(F)F)CC1 12737516 JBYNINGRDRWMBX-UHFFFAOYSA-N 393.203 3.820 30 40 GHEB N#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 3408814 WHSSJFKCTKDVDN-UHFFFAOYSA-N 399.450 3.548 30 40 GHEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 5150561 SNLOUGUBCKENTD-NVMNQCDNSA-N 383.356 3.541 30 40 GHEB O=C1/C(=C2/CCCCCN2)C(/N=C2\CCCCCCN2)=NN1c1ccccc1 8132295 GVOKQAQSLZJZPE-ZZEZOPTASA-N 379.508 3.717 30 40 GHEB COc1ccnc(Oc2ccc(F)cc2)c1C(=O)/N=C\NOCc1ccccc1 18046046 RGAJAJULLRGZPL-UHFFFAOYSA-N 395.390 3.912 30 40 GHEB C=CCSc1ccccc1C(=O)NCc1nc(-c2ccc(OC)cc2)no1 95482582 BNCHGUZGTNUZEQ-UHFFFAOYSA-N 381.457 3.953 30 40 GHEB C/C(=N\OCC(=O)N[C@H]1CCc2c(Cl)cccc21)c1ccc2c(c1)OCO2 98055200 PLZRHGQOTFMHDZ-FZJZADEZSA-N 386.835 3.613 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(O)c1 4186889 ACTWUIQIPUOVDZ-UOXRKKOCSA-N 378.428 3.623 30 40 GHEB CN1/C(=C\C(=O)CSc2nnc(C(F)(F)F)n2C)C(C)(C)c2ccccc21 15980207 GEYZCKCGFYPVJM-ZROIWOOFSA-N 396.438 3.807 30 40 GHEB CC(C)=C[C@H]1[C@@H](/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)C1(C)C 42338775 ITSZTNKNPIXLEP-YOEHRIQHSA-N 379.478 3.732 30 40 GHEB CC(C)n1nnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8187020 QVAYNQMAAVUKHX-LLVKDONJSA-N 390.538 3.575 30 40 GHEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)N1C 59104862 ARGURIOMDKAPPQ-ZBSOPDNXSA-N 384.461 3.843 30 40 GHEB CC1(C)S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 100975174 YFLAMVDUFHQTEA-KNTRCKAVSA-N 394.905 3.943 30 40 GHEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H]1c1ccsc1 58232330 DDOCGPFNBMMULN-GOSISDBHSA-N 377.473 3.581 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)s1 6161072 FWOMNUDWVLYYOY-INIZCTEOSA-N 395.415 3.769 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C)cc1 5799461 GKONASZNRLTHDH-JBCNATCCSA-N 392.499 3.759 30 40 GHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc(Cl)c1Cl 408740776 MIZSAQFNBHLTIP-QQZXWGPFSA-N 392.267 3.760 30 40 GHEB CC(C)COc1ccc(/C=N/N2C(=O)CSC2=S)cc1Br 408600128 VFOJWDAEIHACGI-OMCISZLKSA-N 387.324 3.678 30 40 GHEB COc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)O)c3C)N(C)C2=O)cc1O 408943285 YSRGBBFJWOUHER-VGGFPCPZSA-N 398.440 3.641 30 40 GHEB COc1cc(/C=N\O)ccc1OCc1ccc(I)cc1 226364186 DNWBJAARLDSSCC-MFOYZWKCSA-N 383.185 3.687 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4C)CC3)o2)cc1 12418236 VFFQAQHKIBSAQA-UHFFFAOYSA-N 386.455 3.793 30 40 GHEB COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)ccc1O 20517582 NPDYBEJUGJIPPR-UHFFFAOYSA-N 389.390 3.703 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3406399 NXSXCBWHHRSXEK-UHFFFAOYSA-N 375.457 3.747 30 40 GHEB O=C1Nc2ccccc2/C1=N\N=C\c1ccc(OC(F)F)cc1OC(F)F 4926335 XWLTWIZUFHCEHU-GZIVZEMBSA-N 381.285 3.665 30 40 GHEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 5129746 LSRGRERCKUKZSH-KRWDZBQOSA-N 377.469 3.739 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 12347888 JZLDBRJCZNXPDU-IBGZPJMESA-N 387.439 3.739 30 40 GHEB CCOc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 19959968 VXTIUQFFTGFXRW-BTYIYWSLSA-N 390.443 3.994 30 40 GHEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccco2)C3)c1 20719400 XEIDPQDNCQZQQV-KZULUSFZSA-N 378.388 3.651 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cnc2ccccc2c1 58142036 OAFDTKAJPNNEJH-OAHLLOKOSA-N 375.428 3.649 30 40 GHEB O=[N+]([O-])c1cccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 100504485 OAMJKCRVRJCNMO-WOJGMQOQSA-N 396.319 3.648 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)no1 102804202 DLRHZDXBEJWDBJ-GHNGSUTGSA-N 396.349 3.888 30 40 GHEB CCOC(=O)c1c(NC(=O)CO/N=C/c2cccs2)sc2c1CCCC2 3285240 YDFNLXMTEUDKJK-VXLYETTFSA-N 392.502 3.854 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)no1 5800514 BDZMUOHYWLLJNC-KRWDZBQOSA-N 395.802 3.814 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 6513852 MKUHRNGWXICVHI-UHFFFAOYSA-N 396.491 3.721 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)NC(=O)C[C@@H]2c1ccccc1 14943830 CUYCJFPTSKHURM-SXGZJXTBSA-N 395.480 3.542 30 40 GHEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc(OC)c1O 20797162 UJWZQZLEKFHRSV-IBGZPJMESA-N 379.416 3.637 30 40 GHEB N#Cc1ccccc1OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 32962566 GFSAZGCLFXAKSV-UHFFFAOYSA-N 382.375 3.574 30 40 GHEB CCOC(=O)c1sc(N2CCOCC2)c(C#N)c1-c1ccc(Cl)cc1 33359272 NQAKGVMCKYUVNV-UHFFFAOYSA-N 376.865 3.953 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 224713799 JNLQTQGLRWQDSQ-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB CC(C)c1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 408733787 QZSCPJBOBKZDMN-JCMHNJIXSA-N 379.512 3.641 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(O)ccc1[N+](=O)[O-] 409402439 FFRGARKXYDLMRD-UHFFFAOYSA-N 386.367 3.560 30 40 GHEB COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1OC 2211112 MPQIVGCVRAAFCJ-UHFFFAOYSA-N 379.416 3.894 30 40 GHEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(Br)o3)C2=O)s1 5988027 GKVRPPQPRBYEOK-FPCXVTQDSA-N 384.280 3.874 30 40 GHEB COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 6167227 HYMDHKMEHHDYTB-JFENUBAZSA-N 398.411 3.569 30 40 GHEB biogenic CN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1cccc(C(=O)O)c1 33293531 VOQRUGXTUITLKO-HBVQVORYSA-N 388.832 3.978 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 67109134 WBQRACRLHVNTJF-JKSUJKDBSA-N 390.361 3.637 30 40 GHEB COC(=O)c1ccc2c(c1)CCN2Cc1cn(CCC#N)nc1-c1ccccc1 97164436 VTNFRPXVOJTNCB-UHFFFAOYSA-N 386.455 3.813 30 40 GHEB CCc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102642964 PFMUDPMODDBDTL-YRMZEZPQSA-N 397.496 3.911 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2F)/C1=C(\O)c1cccs1 102803719 ZMUBQRFGGRZTSQ-GHNGSUTGSA-N 394.427 3.904 30 40 GHEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1Cc1ccco1 102928307 INUHWNHCYGFNLB-YDJIHCHBSA-N 389.407 3.910 30 40 GHEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102929651 LWNFGTIAIGRGKX-BCTIHFFESA-N 397.858 3.941 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463757 DJLNZCHPUUSVRH-GUDVDZBRSA-N 393.867 3.965 30 40 GHEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C1=O 409128929 JJAKTRUFFRTPDM-JXCQQFQQSA-N 378.856 3.995 30 40 GHEB CC12c3ccccc3C(C=O)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 409336039 QMKVDSIFIPXRSC-FPMFRTRJSA-N 393.442 3.610 30 40 GHEB COc1cc(N[C@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)C2)cc(OC)c1 79111430 MLDLAITXIBILIQ-KRWDZBQOSA-N 380.448 3.684 30 40 GHEB C[C@@H](NC(=O)CSc1nc2ccccc2n1CCC#N)[C@@H]1C[C@H]2CC[C@H]1C2 104007773 CUOGOHMWFJWFDC-QZWWFDLISA-N 382.533 3.983 30 40 GHEB Cc1nn(CC(=O)Nc2cccc(C#Cc3cccs3)c2)c(=O)c2ccccc12 25754680 MWJBKJFOWVTVIB-UHFFFAOYSA-N 399.475 3.805 30 40 GHEB C=CCSc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 3354630 AEILTYCPOZXSNC-UHFFFAOYSA-N 381.457 3.724 30 40 GHEB CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)CC1 4328608 SMCSWMQYXDMEQN-GOSISDBHSA-N 391.519 3.922 30 40 GHEB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC2 5352754 YSLFRXWRSOCJBP-CYBMUJFWSA-N 399.878 3.787 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccnc2)o1 4536688 AZDUUAVSKYQIDB-HXUWFJFHSA-N 388.423 3.804 30 40 GHEB O=C(C1CC1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F 4551600 UOYWXHXNXOBJHQ-ZDUSSCGKSA-N 398.278 3.555 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCCC[C@@H]1C 5476048 SGRBLLYRTVPNNU-WFASDCNBSA-N 395.297 3.793 30 40 GHEB Cc1nn(CC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)c(=O)c(C#N)c1C 7384536 ASEGBABNSGKKTN-UHFFFAOYSA-N 392.503 3.924 30 40 GHEB N#Cc1c(N)sc2c1CCN(c1nc(-c3cccnc3)nc3ccccc13)C2 18175340 CXPHYDVQVLVTTN-UHFFFAOYSA-N 384.468 3.770 30 40 GHEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c1OC 18196795 MRMYWRUQQGWUQW-HXUWFJFHSA-N 379.412 3.997 30 40 GHEB COCc1cc(C)nc(SCC(=O)Nc2ccc(OC(F)F)cc2)c1C#N 408599450 HKROTIODCIYTLE-UHFFFAOYSA-N 393.415 3.740 30 40 GHEB COc1ccccc1/N=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408771399 GFXOQYOSPSLXHG-FYJGNVAPSA-N 384.457 3.826 30 40 GHEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Br)cc1 224728891 LFZUHFXSVKLYCW-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB Cc1cncc(CN2CCC[C@@H](c3csc(=Nc4ccc(C#N)nc4)[nH]3)C2)c1 585295119 MHVVVXQOIGMHMB-QGZVFWFLSA-N 390.516 3.658 30 40 GHEB N=C(/N=C/c1cc([N+](=O)[O-])ccc1O)SC[C@H]1CCCN2CCCC[C@@H]12 17610827 WLHXYODDKCAAPL-ZELKPPFMSA-N 376.482 3.652 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)CSc2nncn2-c2ccccc2F)cc1 4890466 VZFPMZDSHGEQHL-UHFFFAOYSA-N 395.463 3.754 30 40 GHEB O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(F)(F)F 102282700 JCBOBYSVXDTOFB-UHFFFAOYSA-N 397.193 3.560 30 40 GHEB N#Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccccc3)cc1)OCO2 1080928 ZYFVVRDSDBVJPK-UHFFFAOYSA-N 378.409 3.755 30 40 GHEB C=CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 4033553 SDUHAGJQEKWFHM-OAHLLOKOSA-N 377.444 3.760 30 40 GHEB Cc1ccccc1C(=O)N1CCN(c2oc(-c3cccs3)nc2C#N)CC1 12418528 MFJRXHQCFKUZCZ-UHFFFAOYSA-N 378.457 3.546 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 13016130 FNLGZYFQUQCHTG-UHFFFAOYSA-N 394.456 3.542 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC 19089043 YJIWEUQATQMWNQ-LJQANCHMSA-N 395.455 3.867 30 40 GHEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20650697 PIDKNBKVXKQGFA-NDENLUEZSA-N 391.423 3.895 30 40 GHEB biogenic C/C=C/Cn1c(SCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 53319327 KJFXXTNHTKESBU-FNORWQNLSA-N 378.542 3.842 30 40 GHEB C=CCc1cc2c(cc1C(C(=O)OC)c1cc3c(cc1CC=C)OCO3)OCO2 96191840 DIPRVKMUDXFDEB-UHFFFAOYSA-N 394.423 3.906 30 40 GHEB O=C(C/N=C1\N=C2SC=CN2C(=O)\C1=C\c1ccccc1)Nc1ccccc1 97998548 QZZJCNXFKKECNJ-ZRJBHMFGSA-N 388.452 3.523 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1 408754602 WREDOLSANUCSFW-LZYBPNLTSA-N 383.385 3.524 30 40 GHEB CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1C 408925532 RXPAMFMFXGCVJZ-UFFVCSGVSA-N 377.897 3.793 30 40 GHEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NC(=S)NC[C@@H]1CCCO1 2766640 WTSKHGRNQVTMQA-YFKPBYRVSA-N 376.297 3.727 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 3098442 RVSQDUOWKDKKHJ-HXUWFJFHSA-N 383.444 3.727 30 40 GHEB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 107072204 VMNBOFPRQIBXGW-RXINXCCMSA-N 397.422 3.534 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12789639 HZPWXWDDEYTTHK-KBRJJWGESA-N 375.523 3.572 30 40 GHEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ncn[nH]3)c2C#N)C1 18121794 AGLASYWIWYJCCF-JTQLQIEISA-N 375.523 3.620 30 40 GHEB C#CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)c1 22276483 RARWNTFJZCRAOV-BOPFTXTBSA-N 394.814 3.856 30 40 GHEB C=CCc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1O 39940630 HGAHAZCAPCYFSE-KSEXSDGBSA-N 395.484 3.662 30 40 GHEB C[C@@H]1Cc2sc(NC(=O)c3cc(Cn4cccn4)on3)c(C#N)c2[C@H](C)C1 571170382 VZUAAJJOTZUKQJ-NWDGAFQWSA-N 381.461 3.791 30 40 GHEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)C(=O)N2C1CSC1 223727948 SWQIQPJNGUYUOG-NMWGTECJSA-N 395.484 3.786 30 40 GHEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C#N 225677613 ZGNZZKYRFBXURZ-UHFFFAOYSA-N 393.399 3.842 30 40 GHEB Fc1ccc(Nc2nc(N/N=C\c3ccco3)nc(N3CCCCC3)n2)cc1 4714222 ANDCOOMDDOLLRM-BKUYFWCQSA-N 381.415 3.784 30 40 GHEB C[C@H](NC(=O)CSc1nc2ccccc2n1CCC#N)[C@@H]1C[C@H]2CC[C@H]1C2 104007778 CUOGOHMWFJWFDC-QAETUUGQSA-N 382.533 3.983 30 40 GHEB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1OCC 10515027 ARLXHUUBQVSETN-UHFFFAOYSA-N 380.853 3.810 30 40 GHEB Cn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 3310873 QYYOBSKGRUEYJC-UHFFFAOYSA-N 395.463 3.660 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(OC)c(F)c3)nnc12 3516447 WWDRPPCVUUGAOD-UHFFFAOYSA-N 396.447 3.670 30 40 GHEB N#C[C@H](C(=O)c1cccc(NC(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl 49396437 DLRYGPDWKSRAFW-NSHDSACASA-N 382.729 3.734 30 40 GHEB Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C#N)c(C)c1C 5172696 WUBGOYMHKILOHQ-LBPRGKRZSA-N 394.500 3.735 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 409089384 MFOBUQPPGVQPJX-WFVASHFTSA-N 398.462 3.653 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)c1 5800535 HOBWIUAGGXDUHQ-IBGZPJMESA-N 390.395 3.775 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 20633298 AISJOWHAOFGGQO-FQEVSTJZSA-N 391.427 3.769 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224660991 NVLDRDCQERQELX-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 252487310 HUBDGEZBRUDFTO-LSFURLLWSA-N 378.333 3.789 30 40 GHEB COc1ccc(CN(CC(F)(F)F)C(=O)COc2ccc(C#N)cc2)cc1 10998310 AOFFDGVVFBELIU-UHFFFAOYSA-N 378.350 3.537 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccncc1 10492081 ACIUEVLTFIKQLB-BZUAXINKSA-N 385.537 3.796 30 40 GHEB CCC(CC)C(=O)N1CCC(=NOCC(=O)N(c2ccccc2)C(C)C)CC1 32932718 PVMFKEAYGDYBQT-UHFFFAOYSA-N 387.524 3.859 30 40 GHEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 3608186 FJVFJLHACVJZHE-UHFFFAOYSA-N 399.497 3.777 30 40 GHEB CCOC(=O)c1cnc(N/N=C(\CC(=O)c2cccs2)C(F)(F)F)s1 5274682 QXEKPPRHLDVTQS-YBFXNURJSA-N 391.396 3.985 30 40 GHEB C/C(=N/Oc1ncc([N+](=O)[O-])c(O/N=C(/C)c2ccccc2)n1)c1ccccc1 5566168 CXIGTEINMCPTJC-YBOYZMIGSA-N 391.387 3.991 30 40 GHEB COc1ccc(C(=O)C[C@@H]2S/C(=N\N=C\C=C\c3ccccc3)NC2=O)cc1 6584085 WGHQVJLGEANENY-FXFHUEOHSA-N 393.468 3.555 30 40 GHEB COc1ccc(CCn2c(C)cc(-c3cn4c(C#N)c(C#N)[nH]c4n3)c2C)cc1 6908725 ZEALUBGNKMAMCH-UHFFFAOYSA-N 384.443 3.742 30 40 GHEB Cc1nn(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c(=O)c(C#N)c1C 7441820 NLAGNPXYEGIECI-OCOZRVBESA-N 386.415 3.786 30 40 GHEB C=CCn1c(SCc2nnc(-c3ccccc3)o2)nc2ccsc2c1=O 11271034 MJWZESACMLGWRV-UHFFFAOYSA-N 382.470 3.986 30 40 GHEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccc(Cl)cc2)C2=C1CCCC2=O 19842845 BJQDGWTWLWOFQW-UHFFFAOYSA-N 385.847 3.838 30 40 GHEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 20149903 ISQYTIGTAAHKAY-LJQANCHMSA-N 394.427 3.556 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(O)c1)c1cccs1 85409726 ZNNRGVGFHKZONB-AWEZNQCLSA-N 384.438 3.693 30 40 GHEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccc(OC)cc3)NC1=O)OCO2 408966445 OMMMLLCTQUCIQO-GIJQJNRQSA-N 398.440 3.714 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 2622494 JTUCFRDENPESNU-UHFFFAOYSA-N 391.500 3.830 30 40 GHEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 781889 RBFXXSOQVWYPIK-UHFFFAOYSA-N 375.457 3.982 30 40 GHEB CC[C@@H](NC(=O)Cn1cc(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 64987004 MDCUKALUJOKJCM-LJQANCHMSA-N 389.455 3.942 30 40 GHEB CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)ccc1OC 7586472 QUDVYBPREGTXOW-XBXARRHUSA-N 385.435 3.966 30 40 GHEB CN(C)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 18197660 QKICWWUZNWHAOB-VBKZILBWSA-N 391.500 3.821 30 40 GHEB CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC#N 409039195 QTOJWMMMCODFDR-NYAPKIOYSA-N 387.255 3.702 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(O)c1)c1ccccc1 66088165 ILGYIZYSHZGJDQ-FQEVSTJZSA-N 387.391 3.881 30 40 GHEB N#CC1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218382398 YKWAEXZLWNAEKA-CVEARBPZSA-N 377.252 3.967 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(CC)c(C)s2)C1=O 98050539 AZGJDZVRWXRZDW-LJQANCHMSA-N 379.526 3.935 30 40 GHEB C=C(Cl)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 16210035 APGXBVRKFNTHNJ-AWEZNQCLSA-N 391.876 3.736 30 40 GHEB CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cccc(C#N)c2)cc1 7278804 CILWHJSEXGWSIE-UHFFFAOYSA-N 391.496 3.907 30 40 GHEB N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccccc2)CC1 6755467 QOSYSMMPPZRFLU-UHFFFAOYSA-N 392.846 3.829 30 40 GHEB CCN(CC)C(=O)c1sc(NC(=O)COc2ccccc2C)c(C#N)c1C 872081 XRYYWUAHMORVLO-UHFFFAOYSA-N 385.489 3.736 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 6407202 WTJFPNTXNQOZPY-HXUWFJFHSA-N 395.455 3.618 30 40 GHEB CNc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 8728878 CJAIJNOGRTXAPJ-UHFFFAOYSA-N 398.517 3.590 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)cc2)no1 8913977 JWCBMAPSBWWXOG-MRXNPFEDSA-N 382.397 3.533 30 40 GHEB N#CCCN(C(=O)CSc1nc2ccccc2n1CCC#N)c1ccccc1 12970774 KUPYUQSZDBGMOG-UHFFFAOYSA-N 389.484 3.989 30 40 GHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@@H]3[C@@H](C)C=C(C)C[C@H]3C)c(O)nc12 16977304 HSDNTQVKHHCNKZ-WVBZVYPGSA-N 380.448 3.664 30 40 GHEB COC(=O)CCN(Cc1ccc(F)c(F)c1)c1nc(C(F)(F)F)ccc1C#N 95428367 ZHDAQXHGBILDQW-UHFFFAOYSA-N 399.319 3.820 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2F)/C1=C(\O)c1cccs1 102803715 ZMUBQRFGGRZTSQ-SELCWUDQSA-N 394.427 3.904 30 40 GHEB Cc1cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c(C)n1-c1ccc(C#N)cc1 102914099 AHYLFNPBLQYMFW-UHFFFAOYSA-N 399.454 3.748 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 2801307 ZHZBEAVVYUPDCY-HXUWFJFHSA-N 397.471 3.784 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccccc1 4311468 ITZASVSKGAYQPC-YDJIHCHBSA-N 396.487 3.742 30 40 GHEB C=C(C)C[C@H]1N(c2cccc3ccccc23)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 5216973 UNQJGGLNVXXYSR-XRYLAESTSA-N 375.424 3.546 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 6549761 WNCFYNPGPMGOLT-VLIAUNLRSA-N 383.521 3.680 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1Cl 7698949 NCDCNVKIAHEUMO-UHFFFAOYSA-N 394.814 3.926 30 40 GHEB Cc1cccc2cc(CN(CCN(C)C)/C(S)=N/Cc3ccco3)c(O)nc12 8685787 DCHHLPCXVHVGIN-UHFFFAOYSA-N 398.532 3.691 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(Cc4ccccc4)CC3=O)n2)cc1 13549748 NBNIVQABKNSYJV-UHFFFAOYSA-N 377.469 3.531 30 40 GHEB COc1cccc([C@@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)c1OC 20150182 YPJUWVZRCKVXOR-NSHDSACASA-N 394.456 3.550 30 40 GHEB Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)N(CC#N)c1ccccc1 25113436 MZUWSUIKQNMMRA-UHFFFAOYSA-N 393.468 3.869 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 101231694 RUWDGELFGRJYES-GHNGSUTGSA-N 378.384 3.511 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2cccs2)no1 102803999 UBMMQXOQRRKZOQ-IBOXJLQUSA-N 384.388 3.810 30 40 GHEB N#Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 842010 DLXCLHSEPXIXHC-BWWMBTDCSA-N 376.415 3.955 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1)c1cccs1 6813518 IBQLGDRAJAHHDK-YOEHRIQHSA-N 387.432 3.645 30 40 GHEB C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1 7341762 BCTJSMHBFXLICL-UHFFFAOYSA-N 380.473 3.796 30 40 GHEB Cc1ccc(C(=O)O)cc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59678286 ZTYRMYBEZRJWHW-VXLYETTFSA-N 393.237 3.636 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2ccccc2F)no1 102535554 LFURUGFXUXAXQS-HVESIFNPSA-N 382.347 3.650 30 40 GHEB Cc1ccc(/C=N/Nc2nc(=Nc3ccccc3)[nH]c(=Nc3ccccc3)[nH]2)o1 408728328 ZVMBCIMTFXGBNF-HYARGMPZSA-N 385.431 3.550 30 40 GHEB Ic1ccccc1/N=C\c1ccc(N2CCOCC2)cc1 409098688 JIMRRXMUKSIQQC-UYRXBGFRSA-N 392.240 3.878 30 40 GHEB CCc1ccc(-c2nnc(N3Cc4ccc(C#N)cc4C3)n2C[C@@H]2CCOC2)cc1 594480833 VRDLSIGQCVJLMY-IBGZPJMESA-N 399.498 3.936 30 40 GHEB COc1cc(/C=N/N=Cc2cnc(O)c(C#N)c2Nc2ccccc2)ccc1O 1505764144 UZAHISZMSGJNPW-JMYUGUPPSA-N 387.399 3.570 30 40 GHEB Cc1n[nH]c(S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C(=O)O)n1 1279697 RDGDXUNYFGIRMB-VCHYOVAHSA-N 392.440 3.782 30 40 GHEB CN(C)N1C(=O)C[C@H](c2cc(Br)cs2)C2=C1CC(C)(C)CC2=O 1429515 PMVIRRDGXSKCPK-LLVKDONJSA-N 397.338 3.946 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1c(Cl)cccc1Cl 6651109 UGQWIPSFCMALFC-UHFFFAOYSA-N 379.243 3.846 30 40 GHEB COc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc(OC)c1OC 6925034 AWSCCZUMPONVFU-BOPFTXTBSA-N 384.457 3.912 30 40 GHEB N#Cc1c(-c2ccccc2)nc2n(c1=O)CN(c1ccccc1Cl)CS2 12325108 YAJRVYVPTXPHPA-UHFFFAOYSA-N 380.860 3.963 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c(=O)c21 72334539 VDYOGRIRAHPUAE-OKILXGFUSA-N 398.532 3.697 30 40 GHEB O=C(O)C[C@@H]1S/C(=N/N=C\c2ccccc2Cl)N(c2ccccc2)C1=O 100142636 FNTAFZGMDPTEKN-DZNRBKGMSA-N 387.848 3.653 30 40 GHEB O=C(O)/C(=C\C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 100440739 PCKDJGLKHVBJTN-NTEUORMPSA-N 380.278 3.877 30 40 GHEB CCOc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)ccc1O 408725558 KFAOMDCMZDDQRU-WYMPLXKRSA-N 386.407 3.673 30 40 GHEB COC(=O)c1ccc(C)c(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c1 409067572 FKVVHCFVPWLFEC-SRZZPIQSSA-N 380.360 3.791 30 40 GHEB N#CC1(C#N)C(N)=C(C(=O)O)C2=CCCC[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 1055156 MEZXQYPDQNNHAC-ZBFHGGJFSA-N 387.361 3.860 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3359852 LMOKDVRTLIQCRV-UHFFFAOYSA-N 378.244 3.639 30 40 GHEB COc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccccc2)ccc1O 4541147 OJPPNVZAWJCEPA-IBGZPJMESA-N 395.455 3.912 30 40 GHEB C/C(=N/OCc1nc2c3cnn(-c4ccc(C)cc4)c3ncn2n1)c1ccccc1 4889233 SYVWVCVVXCLRCY-YUMHPJSZSA-N 397.442 3.712 30 40 GHEB COc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 5155852 MJBVTROWZMAGTE-MDWZMJQESA-N 385.485 3.766 30 40 GHEB Cc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3F)S2)c1 5901000 IYBUNFPSZSMDGQ-OAHLLOKOSA-N 375.400 3.521 30 40 GHEB C=CCn1c(SCCOc2ccccc2C(C)=O)nnc1-c1ccncc1 9996159 PNUFKYDLVDGNNX-UHFFFAOYSA-N 380.473 3.900 30 40 GHEB COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cc1ccccc1 12508226 SGLQADSIEZRWCD-UHFFFAOYSA-N 378.453 3.958 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 14137244 ZFGQJDHDOWEZRJ-UHFFFAOYSA-N 378.379 3.587 30 40 GHEB CC(C)COC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 15859829 NVANGCTVTHYRHS-UHFFFAOYSA-N 377.853 3.666 30 40 GHEB C=C(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 16788612 YZPAZRAGCISLEZ-UHFFFAOYSA-N 383.452 3.786 30 40 GHEB CC(C)Oc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(F)cc2)S1 18209092 XJSNDYSSXHTIMG-FNLSEGDXSA-N 385.464 3.777 30 40 GHEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2ccccc21 20739488 ZMZOTLDNSQOVLF-QFIPXVFZSA-N 388.402 3.822 30 40 GHEB CCCOC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 33325296 CEVSTTJNVOTQJZ-JTQLQIEISA-N 377.853 3.808 30 40 GHEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(OC(F)F)c(OC)c1 36611504 SMRBODFSBRVWJW-FBCYGCLPSA-N 378.351 3.820 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 58158931 HDLKEKJJSXOICR-QAPCUYQASA-N 381.432 3.577 30 40 GHEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102878901 YUIHLWNLWYYZRY-BCHZJAEDSA-N 397.858 3.941 30 40 GHEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccc(F)c(F)c1 103504276 OPXSVXMQRKFXBF-NSHDSACASA-N 378.762 3.896 30 40 GHEB C[C@H]1/C(=N/Nc2ccc([N+](=O)[O-])cc2)C[C@H]2[C@@]3(C)CC[C@@]2([C@@H](C)C(=O)O)C(=O)[C@@H]13 104200096 AWVZNWWDGGUAQE-OJZHPMGJSA-N 399.447 3.725 30 40 GHEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SC(C)C)nc(=O)c32)c1 937251 CBAYGLLQGXKTRW-MRXNPFEDSA-N 397.500 3.844 30 40 GHEB O=C(O)C(/C=C/c1ccc(Br)cc1)=N\Nc1ncnc2ccccc12 1797268 UPBUXCIKIRRPJP-SJNNKZHMSA-N 397.232 3.958 30 40 GHEB CCOc1cc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)ccc1O 2315950 GERWGKJSYSEHNB-LSFURLLWSA-N 382.807 3.518 30 40 GHEB C[C@@H](CCc1ccco1)NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 4073728 SSCYZNWHTIRQSX-KSMPXNHGSA-N 387.520 3.717 30 40 GHEB CCOc1cc(/C=N/NC(N)=S)ccc1OCc1cccc2ccccc12 5872565 WAEADBJAXRINPC-YDZHTSKRSA-N 379.485 3.985 30 40 GHEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 6434065 QGLNGCHAEXBNRJ-LRWZUSMTSA-N 383.448 3.948 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 6477185 SWMPFEARDXJGEL-UHFFFAOYSA-N 392.484 3.579 30 40 GHEB CC1CCC2(CC1)NC(=O)N(/N=C/C(Br)=C/c1ccccc1)C2=O 6687303 OAOHKXANOUWFQL-JABDDIKQSA-N 390.281 3.909 30 40 GHEB CC(C)[C@@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCCO2 6790009 HSWVSSCTYRQDMI-JOCHJYFZSA-N 380.444 3.612 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 9255709 GDTQMQGFAJMDDE-UHFFFAOYSA-N 399.903 3.835 30 40 GHEB Cc1ccc(N2N=C(C(=O)OCc3ccc(C#N)cc3)CCC2=O)cc1Cl 11952572 MTXHOSQHLGRHDL-UHFFFAOYSA-N 381.819 3.746 30 40 GHEB O=C1C2=C(Nc3ncnn3[C@H]2c2cccc(Br)c2)c2ccccc21 18223129 FPOMOUSHPPKWTH-INIZCTEOSA-N 379.217 3.663 30 40 GHEB COc1cc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)ccc1O 36267199 MITRSMNBWYCVRH-LSHDLFTRSA-N 377.425 3.721 30 40 GHEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)o1 95451324 AGTCNPMPCJMOJO-MSOLQXFVSA-N 378.428 3.704 30 40 GHEB CC[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(S(C)(=O)=O)cc1 225723451 ZNBQKFPCZHFFFM-GOSISDBHSA-N 387.530 3.594 30 40 GHEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cc(Cl)cc(Cl)c1 408536629 SHEPIQHGBMYDPS-MISXLKTNSA-N 394.258 3.579 30 40 GHEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 102878074 BOZNINNRXGFAMQ-YDJIHCHBSA-N 386.407 3.717 30 40 GHEB CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 53319381 ZRFRQUFYEAXWKT-FMIVXFBMSA-N 384.933 3.628 30 40 GHEB Cc1cccc(NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)n1 53319239 NKCLIHSKBNICFR-NSHDSACASA-N 382.182 3.523 30 40 GHEB C[C@H](NC(=O)COC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 3474565 HIPWATMRQVCCFL-NSHDSACASA-N 377.227 3.899 30 40 GHEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 5860913 IKVYQRNKBQWKEF-HNNXBMFYSA-N 396.516 3.866 30 40 GHEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 409305907 OPQVQZXJTMUHPZ-UHFFFAOYSA-N 392.415 3.940 30 40 GHEB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1 16066188 PLABIBDCTGGNJH-UHFFFAOYSA-N 381.432 3.866 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(OCc2ccccc2F)c1 409402207 DOZRJQUAKPFBSN-SNHGZMDHSA-N 390.414 3.546 30 40 GHEB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C#N 225770929 BKBPIERDEFEZGV-UHFFFAOYSA-N 395.415 3.552 30 40 GHEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 585106968 MKGNMWCJSMVEDI-OAQYLSRUSA-N 376.485 3.681 30 40 GHEB COc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165048 ZTLBWIYVBPTPTQ-BJOHPYRUSA-N 378.354 3.574 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 19138174 POCNSYPRTDRBEE-HXUWFJFHSA-N 386.407 3.879 30 40 GHEB CN1CCc2nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)c(C#N)cc2C1 19597416 CEKBLCWUYOPEEI-UHFFFAOYSA-N 381.545 3.819 30 40 GHEB N#CCCN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 20947684 OFJOFVYOZIUQOZ-HXUWFJFHSA-N 391.471 3.542 30 40 GHEB O=S(=O)(N/N=C/c1ccc(COc2ccccc2Cl)o1)c1ccccc1 655605 HIHVGBSNZRARKZ-UDWIEESQSA-N 390.848 3.824 30 40 GHEB CO/N=C(\C(=O)O)c1csc(Nc2cc(-c3ccc(N(C)C)cc3)on2)c1 1084218 VYFHLJBWYMRINF-FXBPSFAMSA-N 386.433 3.648 30 40 GHEB CC(=O)Nc1ccc(/N=C/c2cccc(I)c2O)cc1 1433846 SNSHYTYSGCSNQL-RQZCQDPDSA-N 380.185 3.706 30 40 GHEB Cc1cccc(C)c1NC(=O)[C@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 1624013 GMGMKZMQQOCXPX-OAHLLOKOSA-N 378.815 3.954 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4cccs4)nc13)O2 5351918 ROVRCYXODRQBKY-MRXNPFEDSA-N 390.424 3.977 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 6009071 MSUHZZIRIIPFGJ-INIZCTEOSA-N 395.484 3.621 30 40 GHEB C[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 6930029 QTZOBSDLLWUIKM-IJVVBAKASA-N 386.408 3.588 30 40 GHEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCN(C)CC2)n1 19820351 BVJBRZDGDUEPTG-UHFFFAOYSA-N 381.549 3.786 30 40 GHEB CCCCC(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CCCC3)CC1 20573717 JAMPFOUNYAWXMM-UHFFFAOYSA-N 392.503 3.931 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1 25230110 XQRDOGFRHZVEHW-MRXNPFEDSA-N 376.909 3.895 30 40 GHEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])o2)N1 33775869 HUDWHVJBWIIHDN-LJQANCHMSA-N 389.367 3.836 30 40 GHEB O[C@@H](CNCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100238882 LTRNBXMYHOAEBK-SNVBAGLBSA-N 383.254 3.995 30 40 GHEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)cc1 110701207 ZROLUVMKUYBPQV-LDADJPATSA-N 383.473 3.836 30 40 GHEB CCOc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OCC(=O)O 408978550 JBASQGRJYZWEJQ-UHFFFAOYSA-N 389.411 3.562 30 40 GHEB CCOC(=O)c1cccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c1 409098307 OHGUQPBWBJMBHD-NVMNQCDNSA-N 393.193 3.990 30 40 GHEB Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(C)c(C)c3)c(=O)c2C#N)cc1 409197181 XWIYHQVISVUVDQ-LUAWRHEFSA-N 385.423 3.898 30 40 GHEB COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1C 996816 JALUPDYANCDTEL-GLEDVZQVSA-N 397.500 3.902 30 40 GHEB CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 2397420 DZRXAOCMVQHUMI-VTGBELTLSA-N 392.488 3.639 30 40 GHEB O=C(O)CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 6813948 MYAHNKUKRVMWRU-NHFXJNLRSA-N 393.439 3.753 30 40 GHEB CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)nc(N)c32)cc1 6859063 NTRNOFNDZOZXFW-HNNXBMFYSA-N 395.532 3.988 30 40 GHEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 9419423 LPRIUIBCILCMGY-CHHVJCJISA-N 385.224 3.948 30 40 GHEB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C#N)cc2)cc1 12545384 UGIZVDJXEJYJQV-OAQYLSRUSA-N 378.476 3.837 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccc1)n1nc(SCc3ccccn3)nc1N2 18198828 DQMHOHQHUZGJNR-IBGZPJMESA-N 389.484 3.987 30 40 GHEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635442 QOJJSMKVTRPEGK-GOSISDBHSA-N 389.503 3.922 30 40 GHEB COc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608757 PAGITFBEFQFJOD-XOBRGWDASA-N 376.416 3.604 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2C1=O 25538093 BJECWTDZWIBHRX-LJQANCHMSA-N 378.403 3.585 30 40 GHEB CC[C@@H](Sc1nnc(/N=C(\O)c2nc3ccccc3s2)s1)C(=O)OC 42379308 GPLJUJIOKMWTMV-SECBINFHSA-N 394.503 3.828 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cc(Cl)ccc21 100875220 HMNIMKGFLBTBGE-VZCXRCSSSA-N 386.860 3.748 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C[C@@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 105374643 OBTXHSTWEOYBKT-DTRVVKHVSA-N 399.531 3.672 30 40 GHEB biogenic CCc1ccccc1-n1c(C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 409406527 KIIBBIGLRJLLOC-YHDSQAASSA-N 387.483 3.798 30 40 GHEB Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccncc3)CC2)n1 585293949 CAJALBAPZDWSTG-UHFFFAOYSA-N 385.475 3.570 30 40 GHEB CC1(C)SC(=S)N(/N=C/c2ccco2)[C@H]1N(O)C(=O)NC1CCCCC1 1434547 VJLIDELXUVYMRG-BGARDKSCSA-N 396.538 3.785 30 40 GHEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C 1965039 DWPRWCSXSQQBHP-UHFFFAOYSA-N 393.808 3.919 30 40 GHEB C=CCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2109563 NMEDBLQBRSKUFL-BYUVYSIJSA-N 390.483 3.897 30 40 GHEB biogenic C=C(C)Cn1c(SCC)nc2ccc(I)cc2c1=O 2224261 NXINIIVTSBDJLU-UHFFFAOYSA-N 386.258 3.689 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 2463609 TTWYMDVGDMDVDJ-NHYWBVRUSA-N 376.865 3.718 30 40 GHEB Cc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Br)cc1 4342135 IATZWFKVQVADOR-RGVLZGJSSA-N 383.249 3.749 30 40 GHEB CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 4814191 IFDXGFWVRBGZMY-INIZCTEOSA-N 399.476 3.956 30 40 GHEB COc1cc2nc(SCC#N)n3nc(-c4ccccc4)nc3c2cc1OC 5005771 GGDXLNJBJISIHZ-UHFFFAOYSA-N 377.429 3.577 30 40 GHEB C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(C)cc1 6477854 KKIGYXVRFZKVKO-UHFFFAOYSA-N 385.518 3.935 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 6643278 BGEREDZDOHFSPV-UHFFFAOYSA-N 396.255 3.800 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 12406614 MFRYMJJQBFMPGP-SSDVNMTOSA-N 395.337 3.906 30 40 GHEB C=CCOc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2CC)cc1OC 17905352 UVWZVZFWAJDZNP-UHFFFAOYSA-N 382.460 3.533 30 40 GHEB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4cccc(C#N)c4)cc3c2C1 32945367 YTXDTDHYODQLKO-AWEZNQCLSA-N 387.439 3.960 30 40 GHEB C=C1c2ccccc2C(=O)N1CC(=O)Nc1sc2c(c1C#N)CCCCC2 95348418 SDKUVSPNJIKZPU-UHFFFAOYSA-N 377.469 3.954 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102926751 PNNLDRIIJCCLAT-NHFXJNLRSA-N 388.398 3.843 30 40 GHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224790569 DZMIXRCEQDNYJY-UHFFFAOYSA-N 388.445 3.849 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(C)(=O)=O 408549041 VZODTOCJZSJAHT-UHFFFAOYSA-N 378.881 3.853 30 40 GHEB N#Cc1ccnc(Nc2nc(C3CCN(Cc4ccccn4)CC3)cs2)c1 585295328 VMMALMHHZQHTGT-UHFFFAOYSA-N 376.489 3.928 30 40 GHEB COc1ccccc1C(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccccc1 2316318 XHZHPTPSXNGEOO-UHFFFAOYSA-N 375.432 3.632 30 40 GHEB CNC(=S)N/N=C/c1cccc(OCCSc2ccc(Cl)cc2)c1 4511163 DWLJYPSZTWPALS-UDWIEESQSA-N 379.938 3.939 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](C)CC2=O)N1 5206889 VUYMYSMXORJRCB-LRTDBIEQSA-N 389.455 3.640 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)[C@@H](C)CC)C2=O)cc1 5373791 XLYAZCBAYVUAAM-UNFISKBPSA-N 391.514 3.952 30 40 GHEB CC1CCC(N2C(=O)C(O)=C(C(=O)C3CC3)[C@@H]2c2ccc(C(=O)O)cc2)CC1 12539434 VZQHTJYCCUWTFG-JIJFEZTESA-N 383.444 3.638 30 40 GHEB COc1cccc(-n2c(SCCC#N)nc3sc4c(c3c2=O)CCC4)c1 12764831 JIACEQOQILZSBR-UHFFFAOYSA-N 383.498 3.950 30 40 GHEB O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCCS/C1=N\c1ccccc1 12856220 SZIZCSMXQQNAEW-DQRAZIAOSA-N 393.468 3.607 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nc2ccc(Br)cc2[nH]1 20765306 ZHLVMMRHIPWHNC-UHFFFAOYSA-N 387.262 3.928 30 40 GHEB CN(c1nc(N)c(C#N)c(CC#N)c1C#N)C(c1ccccc1)c1ccccc1 25425899 XPTDZIQCLZGXDV-UHFFFAOYSA-N 378.439 3.699 30 40 GHEB CC(C)c1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2=O)c1 31432985 OCMHMQQOXNNAKB-OXJNMPFZSA-N 375.472 3.912 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)Cc1ccccc1Cl 40112032 QFZAEWJSSLYFMD-ZDUSSCGKSA-N 395.894 3.551 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C#N)Cc2ccc(C)cc2)nc1 54169693 FFODWEXLJOMHLL-QGZVFWFLSA-N 389.546 3.648 30 40 GHEB C=CCc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])cc(OC)c1OCC(=O)O 59678244 IQZYYPROZYGCKE-SRZZPIQSSA-N 384.388 3.854 30 40 GHEB CC/N=C1/S[C@@H](C(=O)Nc2ccccc2)CC(=O)N1CCc1ccccc1 100203670 DWGWIEUCKWHKSG-KHOFPDMRSA-N 381.501 3.578 30 40 GHEB Cc1cccc(Nc2nc3nonc3[nH]c2=N/N=C/c2c(C)[nH]c3ccccc23)c1 408720423 OESBLITYIIEBAG-SSDVNMTOSA-N 398.430 3.722 30 40 GHEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)S2)cc1 408753612 JULKOBPPVAFFPI-PDGQHHTCSA-N 396.468 3.692 30 40 GHEB N#CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409406319 XGENYXTUSPWGRI-UHFFFAOYSA-N 380.407 3.848 30 40 GHEB Cn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 879566 YPZULNPRILJHAQ-NSHDSACASA-N 389.550 3.630 30 40 GHEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C/c2cccc(O)c2)C1=O 1002769 TYUXEDOZBNGPBT-SFQUDFHCSA-N 397.452 3.944 30 40 GHEB CC(=O)OC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)N(c2ccccn2)C1=O 1477139 QQCYMOCFUBXRAU-OAQYLSRUSA-N 398.418 3.870 30 40 GHEB O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c(/C=N/n2cnnc2)c1 3669053 QMDNRLGGGJMMGT-UFWORHAWSA-N 382.430 3.829 30 40 GHEB CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2cccs2)C(=S)SC1(C)C 4794971 WAWJRBSCPZJQOD-VAKHEIKFSA-N 386.568 3.721 30 40 GHEB C=CC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1ccncc1 5858583 XCGYRQUXNDLVNF-IILZJKCVSA-N 394.500 3.988 30 40 GHEB O=C1N/C(=N\N=C\c2cccnc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 6251488 MDZXZLAUBVXCAV-YVJZOELXSA-N 392.456 3.561 30 40 GHEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 9483327 AVQRHMCMOGSKBO-OAQYLSRUSA-N 379.460 3.642 30 40 GHEB COc1cc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)cc(OC)c1OC 12858558 FESZDLDGLBQFNO-IUXPMGMMSA-N 396.395 3.644 30 40 GHEB biogenic COc1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc(Br)c1O 14198956 RECIMLADFYBQIF-DUXPYHPUSA-N 375.218 3.994 30 40 GHEB CCCc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(CC)cc2)cc1 17081101 VLHBFOAREZCQPX-HAHDFKILSA-N 396.516 3.904 30 40 GHEB C=CCN(C(=O)c1ccc(=O)n(CCCC)n1)c1nc(-c2ccccc2)cs1 22916229 SALOYIOJEVTMPL-UHFFFAOYSA-N 394.500 4.000 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nc(-c2cccs2)no1 23329026 IOONGCLYLGYKJG-UHFFFAOYSA-N 380.385 3.719 30 40 GHEB N#Cc1ccccc1N1CCCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 51371648 JUDPOPMIOZLRGO-FQEVSTJZSA-N 389.421 3.823 30 40 GHEB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2SCCC#N)C1=O 95953515 PSOBSMQLONICLI-HNNXBMFYSA-N 395.484 3.835 30 40 GHEB COP(=O)(OC)C(C)(C)C/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 98086602 NAOINMCRMAKRGH-XNTDXEJSSA-N 388.317 3.945 30 40 GHEB C(#Cc1cnn2cc(-c3ccccc3)cnc12)c1cccc([C@H]2CCCNC2)n1 1615526000 MHNLGSDGZNFUSL-IBGZPJMESA-N 379.467 3.658 30 40 GHEB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@H]3C2=O)c1 852718 ITOCMGJMMLKZTN-FGEXJBCWSA-N 393.442 3.745 30 40 GHEB biogenic CCOC(=O)c1c(C)oc(NC(=O)COc2ccc(Cl)cc2Cl)c1C#N 3413313 LLARMTDMLVTRHN-UHFFFAOYSA-N 397.214 3.961 30 40 GHEB CCOC(=O)[C@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@@H]1c1ccc(Cl)cc1 4566120 NCCZHVZRRIMXQV-WCCBULMPSA-N 397.858 3.603 30 40 GHEB C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=N/NC(N)=S 5725893 PJQOMBSTWZENFR-LPYMAVHISA-N 389.908 3.693 30 40 GHEB COC(=O)c1ccc(/C=N/OCCOc2ccc(Br)cc2)cc1 6638034 PIWDGYIWXCUBMU-XDHOZWIPSA-N 378.222 3.665 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20438429 DVDPJVLXKDRKAQ-LDVJMBRRSA-N 391.430 3.879 30 40 GHEB Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 22608739 CDCRZEFVPPZHRS-DJJJIMSYSA-N 391.387 3.503 30 40 GHEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1cc(Br)cn1 28230974 RKLKWKSKQVVYNE-SECBINFHSA-N 379.283 3.657 30 40 GHEB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 55160347 FUCWYNLQBQGNQN-LJQANCHMSA-N 392.455 3.553 30 40 GHEB CC(C)n1cnnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 95953352 JOSWKBZYXRKYGV-ZDUSSCGKSA-N 375.523 3.984 30 40 GHEB C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918474 MJDYUFYIOGAURV-PKITUDMBSA-N 385.504 3.771 30 40 GHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218573109 RGWGKRYTQJXCPT-FHWLQOOXSA-N 393.867 3.965 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1 225778731 HNZOEJLACSCNLN-UHFFFAOYSA-N 397.544 3.570 30 40 GHEB COc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c(OC)c1 408849973 BYLBATQQGSJZBQ-ZDLGFXPLSA-N 384.457 3.912 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(OC)c1 1287873 SLHDNIDGJASXKC-UHFFFAOYSA-N 397.456 3.526 30 40 GHEB Cc1cccc2[nH]c3c(=O)n(/N=C/c4cc(Br)ccc4O)cnc3c12 2449332 MACXRXOWJAURKA-ODCIPOBUSA-N 397.232 3.537 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 5304657 FRUPJEIUUFIJQW-HXUWFJFHSA-N 384.457 3.519 30 40 GHEB C/C(=N/NC(=S)Nc1ccc(C(=O)O)cc1C)c1ccc2ccccc2n1 6484533 RPCVVXSECUNNOE-QRVIBDJDSA-N 378.457 3.952 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(-c4cccc(O)c4)nn32)cc1 6732504 NVYRELADKXNHTB-HXUWFJFHSA-N 388.427 3.681 30 40 GHEB C=CCN(Cc1ccc(Br)s1)C(=O)COc1ccccc1C#N 8036796 DECBSYAWZBRZOD-UHFFFAOYSA-N 391.290 3.976 30 40 GHEB CCOc1ccc(N2CSc3nc(-c4ccccc4)c(C#N)c(=O)n3C2)cc1 9420313 IDOJUKOYQBJFRO-UHFFFAOYSA-N 390.468 3.708 30 40 GHEB O=C(C[C@@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc2ccccc2c1 12995498 KTFZVVOAPACQGP-KRWDZBQOSA-N 379.441 3.549 30 40 GHEB CCCCN1C(=O)c2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2C1=O 14595929 BESPWCMPVUUQGJ-UHFFFAOYSA-N 381.457 3.885 30 40 GHEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc2c(c1C#N)CCCC2 15228382 LRABMGKJNZLZNZ-UHFFFAOYSA-N 377.447 3.516 30 40 GHEB O=C(O)c1ccc(C/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59678509 WZXPFAGUCQVFHJ-YBFXNURJSA-N 377.238 3.960 30 40 GHEB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(Cc2ccccc2C#N)c1=O 90610245 WOUFNLBBODNBRY-UHFFFAOYSA-N 391.427 3.581 30 40 GHEB C=CCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(NC(C)=O)ccc21 100874911 KNYVBZKVUYOXQE-NZXQABLRSA-N 377.469 3.988 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(C(=O)OC)ccc21 100875128 MTKBEPOQELZKJJ-VZCXRCSSSA-N 384.844 3.517 30 40 GHEB COc1ccc2nc(/C=C3\S/C(=N/c4nccs4)N(C)C3=O)ccc2c1 102744030 CTRNCOVSXAIXMD-IWULQAATSA-N 382.470 3.934 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(C)(=O)=O 113936363 PFXNNRVFTGYALJ-KRWDZBQOSA-N 386.517 3.746 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]2C=O)cc1 242548864 LXHDBWNEWCSUIY-GVDBMIGSSA-N 379.275 3.512 30 40 GHEB N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 78743270 MNWRFBDVSIBCDG-UHFFFAOYSA-N 394.761 3.765 30 40 GHEB Cc1cc(C)cc(OCCN(C)C/C(O)=N/c2nnc(-c3ccccc3)o2)c1 26908992 RTMMAAJBURAALR-UHFFFAOYSA-N 380.448 3.952 30 40 GHEB CCOC(=O)[C@H](C(C)=O)C(=O)/C=C/c1ccc(OC)c(OCc2ccccc2)c1 100206758 LWMLWOUYFFAIGS-RSNBEDGSSA-N 396.439 3.625 30 40 GHEB COC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182598 PGCHPUUWYSZBFA-GRSHGNNSSA-N 377.396 3.655 30 40 GHEB N#Cc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cccc(F)c4)c32)cc1 49544784 GWWBKHSCGCQTAK-MRXNPFEDSA-N 375.359 3.660 30 40 GHEB CCOc1ccc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)cc1OCC 5353464 UIDMDMZUFGQPPM-JXAWBTAJSA-N 397.471 3.871 30 40 GHEB biogenic C=CCOc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 6911020 OPLDMTKUYFEFAH-UHFFFAOYSA-N 381.501 3.744 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OC)cc1 16737255 SPXFQKRDVIZUQL-HXUWFJFHSA-N 393.439 3.858 30 40 GHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)S2)c(C)c1 28605550 KOICUAZBSHIYBD-IDUWFGFVSA-N 397.412 3.832 30 40 GHEB COc1ccc(/C=C2/C(=O)ON=C2c2ccc(Br)cc2)cc1OC 63539492 MHEQZGILOSVPBZ-NTEUORMPSA-N 388.217 3.811 30 40 GHEB Cn1cc(/C=C2\SC(=Nc3ccc([N+](=O)[O-])cc3)NC2=O)c2ccccc21 408813274 OZXZZUJUEIFMME-YVLHZVERSA-N 378.413 3.978 30 40 GHEB CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)cc1 224732381 XRTDCXYRTFFEQB-UHFFFAOYSA-N 379.279 3.730 30 40 GHEB Cc1ccc(-c2nnc(S)n2N=Cc2cc(Br)ccc2O)cc1 253617003 SASLVJQXVYKIMV-UHFFFAOYSA-N 389.278 3.893 30 40 GHEB CCc1ccccc1NC(=O)C[C@H]1S/C(=N\c2nccs2)N(CC)C1=O 13116585 JQORUSSEOMDZBX-WVCJAJDESA-N 388.518 3.686 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O 6514158 NOPHJSGSARQREJ-UHFFFAOYSA-N 385.876 3.967 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 102798580 XOYOQMQZCWWGJI-NHFXJNLRSA-N 379.456 3.762 30 40 GHEB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCCN(c2ccccc2C#N)CC1 52801417 FDDSUDWOSMMJEV-GOSISDBHSA-N 399.498 3.646 30 40 GHEB CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cccc2ccccc12 979575 UWXWHZBSRPLXBG-YDZHTSKRSA-N 393.468 3.625 30 40 GHEB CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccco1 4861112 WRNYYFPUMYYJIG-UHFFFAOYSA-N 387.490 3.839 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)C1CCCCC1 6678360 RENKPPBNQIMUCT-UHFFFAOYSA-N 385.464 3.849 30 40 GHEB O=[N+]([O-])c1cccc(/C=N/OCc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 8040451 AEYPJEVDBBNWED-KGENOOAVSA-N 396.424 3.978 30 40 GHEB C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)S/C1=N/c1nccs1 9489422 NEXCNMAROXTTMD-NLWDWDMTSA-N 382.470 3.564 30 40 GHEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 12438252 LFYCOCXDMCLGLI-FEGCFHEDSA-N 396.877 3.614 30 40 GHEB Nc1nc(N2CCCCC2)nc2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 13637486 YDAAOEKSYJTWER-KRWDZBQOSA-N 375.476 3.614 30 40 GHEB CC(C)CN1C[C@@H](C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)CC1=O 84544233 IOVVPRHDRMNUCB-HNNXBMFYSA-N 393.512 3.828 30 40 GHEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O 100972689 CJUUMZWWQRRIIL-QFPXGYFVSA-N 384.498 3.557 30 40 GHEB CC(=O)Oc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405819 VTYWBUQXCXEKIU-UHFFFAOYSA-N 383.407 3.871 30 40 GHEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](CCOCC4CCCC4)CCO3)C2)c1 575402412 AHJPQODZGOPPOV-SFHVURJKSA-N 382.504 3.776 30 40 GHEB N#Cc1c(NC(=O)c2ccccc2I)sc2c1CCC2 1093012 AJGADBUCIGQWNV-UHFFFAOYSA-N 394.237 3.965 30 40 GHEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 2284770 ZUDJOPLDERZQBH-KRWDZBQOSA-N 379.508 3.946 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2)cc1 5408987 CCIDWYOPTCCWDO-UGSOOPFHSA-N 385.847 3.608 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 5457868 UHHZVELHQSJJAH-CQSZACIVSA-N 381.350 3.560 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccccc1 5799450 SVNODLVFCCAJGE-YDJIHCHBSA-N 396.462 3.589 30 40 GHEB C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C(=O)O 9419915 SDDQGOVAIPDBAV-SYEOYNTFSA-N 389.201 3.917 30 40 GHEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1cccc(C(=O)O)c1 35669236 VZOQUWPULKMBOR-SUZTUZHYSA-N 396.424 3.737 30 40 GHEB CCOC(=O)CS[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(OC)cc1 100995289 FWLIYCREWDSSQO-NYXAKURHSA-N 399.468 3.889 30 40 GHEB COc1ccc(/C=N/N2CC(O)=C(c3nc4ccccc4s3)C2=N)cc1O 102727657 YOUVTKCQUAQQLV-QFGMBERTSA-N 380.429 3.607 30 40 GHEB C=CCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC 408705741 MPJJOOZZIZADFG-YRNVUSSQSA-N 376.500 3.895 30 40 GHEB COc1cc(OC)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(OC)c1 409213622 UQNNKJNOXCKSAH-MVLGTPAKSA-N 378.494 3.802 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1nccs1 12378241 FQOCROWPZDEFGR-DCKJRJMFSA-N 386.502 3.598 30 40 GHEB N#C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2c3ccccc3C=CN21 2420091 DVDPJVLXKDRKAQ-WBADGQHESA-N 391.430 3.879 30 40 GHEB CC(C)[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 11092934 XERUHGKXFTXUJQ-VFNWGFHPSA-N 379.460 3.643 30 40 GHEB C=CCNC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 3456154 KPOROHJEKFWTES-UHFFFAOYSA-N 378.350 3.908 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 3449873 DYVIJEYMGPHOKY-AWEZNQCLSA-N 390.468 3.573 30 40 GHEB COCCn1c(C)cc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)c1C 3432645 YDFYTPJFPDBVLU-RGVLZGJSSA-N 389.912 3.834 30 40 GHEB CC1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CCCCC2)CC1 4328609 SMCSWMQYXDMEQN-SFHVURJKSA-N 391.519 3.922 30 40 GHEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(C)cc1 4741677 KKLRCVULVVFXGE-UHFFFAOYSA-N 389.484 3.968 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)CCOc2ccccc21 8244055 SJHFIEHROGLOBP-UHFFFAOYSA-N 390.892 3.732 30 40 GHEB C=CCn1c(C)cc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c1C 9448447 LOMPXFVELGAWRA-KRWDZBQOSA-N 379.460 3.639 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1 408765701 XGTPTVYGWHTPBX-IZBZYRJBSA-N 385.876 3.723 30 40 GHEB C=C(C)COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 1878378 QBDFATXJHXCPJA-WIYYLYMNSA-N 392.455 3.820 30 40 GHEB biogenic Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]2C#N)cc1 242522403 IQUCXSAAPCXLAT-GVDBMIGSSA-N 376.275 3.837 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)COc3ncnc4ccccc34)c2C#N)C1 3266492 GFQRAQKPEQPVPC-GFCCVEGCSA-N 378.457 3.705 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1 25230115 XQRDOGFRHZVEHW-INIZCTEOSA-N 376.909 3.895 30 40 GHEB C=CCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 57124092 WMSGMMPGQSTACS-UHFFFAOYSA-N 398.278 3.823 30 40 GHEB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H](C)Oc2ccccc2C#N)C1 36398559 RECVXAWEOQRRLQ-RTBURBONSA-N 391.515 3.874 30 40 GHEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)cc1 6050417 DUOQJCSRDIHELE-HXUWFJFHSA-N 394.496 3.788 30 40 GHEB O=S(=O)(N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccccc1 408728619 PXOZQDYVWXOXEA-VXLYETTFSA-N 380.256 3.854 30 40 GHEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1OC 6409370 UTMIWRDYUSIGBX-HYARGMPZSA-N 397.456 3.650 30 40 GHEB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 5776138 XELDMBRBBKIKDA-WQRHYEAKSA-N 383.450 3.924 30 40 GHEB COc1cc(/C=N/Nc2ccccn2)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 7156609 LQPIFUSNJRHUEL-BLHGMKRPSA-N 396.491 3.705 30 40 GHEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c(OC)c1 5520004 PFGRRHVYQRYQFU-WQRHYEAKSA-N 383.473 3.661 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)no1 102862461 VMLAGBCKJPVBSH-GROYHEBESA-N 395.802 3.658 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1004068 MPGNXXICZUZCLO-UHFFFAOYSA-N 390.892 3.955 30 40 GHEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 4626431 VSSAUAPBRXWTHR-IFXJQAMLSA-N 375.465 3.902 30 40 GHEB O=[N+]([O-])c1cc(/N=C/c2cccc(O)c2O)ccc1/N=C/c1cccc(O)c1O 4719330 OIGFCWABERUINT-OIEABDAFSA-N 393.355 3.918 30 40 GHEB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1OC 6053251 MXHURLNZNWWOHU-SFHVURJKSA-N 386.835 3.868 30 40 GHEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4C)CC3)o2)c1 12418343 BGCPXOQOLLDVJZ-UHFFFAOYSA-N 386.455 3.793 30 40 GHEB COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1OC 15015944 BHVCUNORKZKSTE-GDNBJRDFSA-N 388.420 3.743 30 40 GHEB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)c1 15026915 PHOZSAKHRMDSQU-LJQANCHMSA-N 385.508 3.526 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2ccccc2C#N)c1 32891475 ZYXGBUPDCMVWSM-UHFFFAOYSA-N 377.469 3.995 30 40 GHEB C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nnc1-c1ccoc1C 32915346 WNBBSJUNIZAHHX-AWEZNQCLSA-N 393.476 3.862 30 40 GHEB COC(=O)C(C(=O)CSc1c(F)cc(F)cc1F)=C1Nc2ccccc2N1 102141193 PUJYJTZSTCTTMU-UHFFFAOYSA-N 394.374 3.687 30 40 GHEB C/C(CC(=O)c1ccccc1)=N\CC(O)C/N=C(\C)CC(=O)c1ccccc1 103060130 KAMQOUPMANBAAZ-WZGDJCGDSA-N 378.472 3.815 30 40 GHEB CC(C)Oc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409407565 UPKJLTOQBNSOBK-GVAFMPQTSA-N 393.270 3.922 30 40 GHEB C=CCc1cccc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc12 4930339 KCENVQBSVJBPBE-UHFFFAOYSA-N 392.430 3.623 30 40 GHEB Cc1cc(C(=O)CSc2nc(N)cc(N)c2C#N)c(C)n1-c1cccc(F)c1 48264758 KQUZDBQKDAQSMI-UHFFFAOYSA-N 395.463 3.639 30 40 GHEB C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)c1 58230365 QEXUPLXTZWHZIA-OAQYLSRUSA-N 384.435 3.770 30 40 GHEB Cc1cc(N2CCCC2)c(F)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 107892222 UKLQIQHQAJMQHR-RGVLZGJSSA-N 387.371 3.997 30 40 GHEB COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435965 ACFMAPKNFKWXQC-BFUOFWGJSA-N 378.457 3.764 30 40 GHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(N(C)C)cc1 5931272 DTPVECSAUYDXJB-MRXNPFEDSA-N 396.516 3.512 30 40 GHEB N#Cc1cccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 67258338 MEKPSZFSQRGYDT-UHFFFAOYSA-N 393.855 3.787 30 40 GHEB N#Cc1ccccc1CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 7005942 DPSISVRAHAUSLW-XMMPIXPASA-N 381.435 3.748 30 40 GHEB COc1cccc(OC)c1CN/C(N)=N\c1nc(-c2ccc(F)cc2)cs1 43133346 OCKRSMQHUABNKG-UHFFFAOYSA-N 386.452 3.702 30 40 GHEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(=O)N1C 408850309 LCKYBCPNCWJPOB-XFGDDMJQSA-N 384.461 3.843 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)c1 225647226 NVKOYZFWIMLLPV-UHFFFAOYSA-N 381.501 3.865 30 40 GHEB COc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1OC 46084706 GNWWDVCDIHZFQD-HKWRFOASSA-N 381.215 3.736 30 40 GHEB CCOC(=O)/C(=C/Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(C)=O 584653936 VVRHSMZZIVVRGO-XDJHFCHBSA-N 375.428 3.987 30 40 GHEB COc1cc([N+](=O)[O-])cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c1O 13546744 VYEMTOFMJGLKBC-OVCLIPMQSA-N 385.401 3.509 30 40 GHEB N#Cc1cccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1 3349646 MRYCQNMWDGZFDO-UHFFFAOYSA-N 384.391 3.978 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 5079577 ZZTZREOFIYHOCK-ONOODXEBSA-N 376.412 3.707 30 40 GHEB COc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)c1 18284083 GZFJDUANXHCMMA-OAHLLOKOSA-N 389.864 3.597 30 40 GHEB C=CCc1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc(OC)c1OC 95459646 MSAHFMMKBZLEHD-UHFFFAOYSA-N 382.416 3.852 30 40 GHEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1O 408931586 NOHRGDZVNJVKGA-UDWIEESQSA-N 391.265 3.751 30 40 GHEB Cc1ccnc(S/C=C/C(=O)c2ccc(I)cc2)n1 1041313 VJZLNECEYXRMBE-VQHVLOKHSA-N 382.226 3.878 30 40 GHEB COCCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 5660830 KELLSZLJJLWZMZ-HZMNMXHTSA-N 393.468 3.839 30 40 GHEB O=C1C(=O)N(c2ncccn2)[C@H](c2cccc(Cl)c2)/C1=C(\O)c1ccccc1 102498151 ZKNXCFAOEQFUFO-GROYHEBESA-N 391.814 3.756 30 40 GHEB O=c1oc2ccccc2cc1-c1c[nH]/c(=N\N=C\c2cccc([N+](=O)[O-])c2)s1 4673543 DRPQITGHMDGDSB-UFFVCSGVSA-N 392.396 3.693 30 40 GHEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccn3)c2C#N)C1 6063280 DKFQSTYBELABQS-CYBMUJFWSA-N 397.500 3.961 30 40 GHEB COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 6855402 IJXSVYGTUIOZKG-NRFANRHFSA-N 390.439 3.704 30 40 GHEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccccc3)c2c1 8023484 KQVKVRLVKBUPMH-OAQYLSRUSA-N 390.439 3.704 30 40 GHEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1Br)OCO2 8710463 LVLZFQAIZFICAH-KRWDZBQOSA-N 387.233 3.930 30 40 GHEB C=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 22275659 DDKICSJBKBVDDX-UHFFFAOYSA-N 386.517 3.616 30 40 GHEB N#Cc1cc2c(nc1SCc1cc([N+](=O)[O-])cc3c1OCOC3)CCCC2=O 40039643 SWUGTXFTAUAUCY-UHFFFAOYSA-N 397.412 3.539 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 102886727 OVZKBEBEFSPUNV-YDJIHCHBSA-N 395.455 3.542 30 40 GHEB CCOC(=O)C1=C(C)N=C(SCC#N)N[C@H]1c1cccc(Br)c1 107696120 LZVMUSWUBUVOCI-AWEZNQCLSA-N 394.294 3.543 30 40 GHEB Cc1ccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)c(C)c1 113480580 YIASWORGHZNMSU-KRWDZBQOSA-N 378.457 3.618 30 40 GHEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(SC)cc1 224993295 XXAGNZOCZAVFIW-UHFFFAOYSA-N 391.514 3.967 30 40 GHEB N#Cc1c(/C=C\c2ccc(Cl)cc2)c(C(=O)O)nn(-c2ccccc2)c1=O 409206538 KSULUACYPTWWRY-FLIBITNWSA-N 377.787 3.626 30 40 GHEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 409349972 SDTIFPTWBSDPKJ-UHFFFAOYSA-N 376.391 3.531 30 40 GHEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=S)NCc1ccccc1 666161 VNJSNJIBTCGAPL-LPYMAVHISA-N 383.908 3.832 30 40 GHEB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC#N)cc1 4126561 ABHRUFOXDMWNRC-UHFFFAOYSA-N 398.517 3.591 30 40 GHEB COc1cccc2cc(C(=O)Nc3cccc(Cl)c3)/c(=N/OC(C)=O)oc12 67350828 SZEAKQLYNMSZMV-QOCHGBHMSA-N 386.791 3.726 30 40 GHEB C=CCNC(=O)[C@@H](C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 7179195 GWQXYVRONPTOBN-SNVBAGLBSA-N 389.477 3.574 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)c1C 5414286 YVKAMRGRWKUQJT-UHFFFAOYSA-N 381.505 3.858 30 40 GHEB COc1ccccc1[C@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1cc(C)on1 102804288 XWRLFZXZWCGFOB-WOOAAIBNSA-N 390.395 3.618 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc2c1=O 3334668 IFMBUHVYNUHZRK-HNNXBMFYSA-N 379.485 3.552 30 40 GHEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 4812794 AKLKCXZKXPXZTG-UHFFFAOYSA-N 381.439 3.837 30 40 GHEB COc1ccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)cc1 5659286 AUGPWKLOJNJSOY-UHFFFAOYSA-N 377.469 3.844 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 5864599 WEEJEADAYPXFQV-HNNXBMFYSA-N 394.500 3.644 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 6628308 IBNBJPHTCZKWHD-OUKQBFOZSA-N 379.428 3.891 30 40 GHEB Cc1nc(SC(F)F)nc(C)c1CCC(=O)OCc1ccc(C#N)cc1 7853500 MPRSVDUYOFSASP-UHFFFAOYSA-N 377.416 3.956 30 40 GHEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)c1ccncc1)Cc1ccccc1O2 12365577 OTLKECJWWBWLEE-HSZRJFAPSA-N 377.488 3.527 30 40 GHEB C=CCOc1ccccc1C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 12913095 IREFACFUFWHTJG-GASCZTMLSA-N 387.505 3.569 30 40 GHEB CN(C)c1ccc(/C=C2/C[N+](C)(C)C/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 18062290 BYHUEJIXMCUORK-KBNZVFGVSA-N 390.551 3.945 30 40 GHEB C[C@@H]1C(=NO)[C@@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 33887583 XIEVXBGRBVCJHK-NEYQJUBMSA-N 384.392 3.991 30 40 GHEB C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccs2)C(C)(C)C)c1 40155371 DWYAUIRXNPMMOS-QGZVFWFLSA-N 392.546 3.730 30 40 GHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224998850 LHFAPZXTZJCJKC-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccc(I)cc2F)c(F)c1 408620542 HFSCQQNQDXDFCU-UHFFFAOYSA-N 384.123 3.693 30 40 GHEB C=CCN1C(=O)COc2ccc(NC(=O)c3ccccc3Br)cc21 12160504 VOCVAMZSPZHOHO-UHFFFAOYSA-N 387.233 3.613 30 40 GHEB COc1ccccc1/C=N/n1c(-c2ccccc2OC)nc2ccccc2c1=O 726813 YGXBVXNVTRBMQJ-BUVRLJJBSA-N 385.423 3.963 30 40 GHEB COc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccccc2)ccc1O 4541146 OJPPNVZAWJCEPA-LJQANCHMSA-N 395.455 3.912 30 40 GHEB Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccc([N+](=O)[O-])cc3)ncn2)n1 4952795 QISXWPDDRXOZPW-ZMOGYAJESA-N 399.414 3.992 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 7979001 ZVGGHKCVPVPWQN-MSXUNZPYSA-N 383.419 3.824 30 40 GHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1C 8078817 NXOROGNAQPIECK-JXMROGBWSA-N 382.460 3.541 30 40 GHEB Oc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409044770 PABVYNLLRMDNAJ-RMOCHZDMSA-N 383.061 3.869 30 40 GHEB C=CCN(C(=O)Cc1cc(OCC)c(OCC)cc1Br)C1CC1 95459038 PXOMJFKAKPRSTM-UHFFFAOYSA-N 382.298 3.966 30 40 GHEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408988055 QFFAJGVCLXYZCE-BOPFTXTBSA-N 396.830 3.880 30 40 GHEB O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccc(F)cc1 16754354 SEPSKUAIUAJEKI-DFMHBSKISA-N 381.432 3.685 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 1060753 YFZFZTMSOIYRNK-NFJKTXFASA-N 397.405 3.575 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 2644715 HWAZTTXZRGCJRZ-FQEVSTJZSA-N 395.488 3.674 30 40 GHEB COc1ccc(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)cc1OC 3355850 LXLPBCCGGHDVNX-UHFFFAOYSA-N 395.440 3.716 30 40 GHEB CC(=O)N1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)c2cc(Br)ccc21 4482647 WYNWXFXABQXTGK-LZYBPNLTSA-N 387.189 3.948 30 40 GHEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502363 VPZCMALSGWXYSO-VLIAUNLRSA-N 376.416 3.604 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccccc1 5799473 SVNODLVFCCAJGE-NHFXJNLRSA-N 396.462 3.589 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)COC(=O)c1c(F)cccc1Cl 6898533 PBTHFDANXRTRJP-UHFFFAOYSA-N 390.798 3.591 30 40 GHEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc2ccccc12 7267755 DVUDIYCKFKIRNU-INIZCTEOSA-N 386.455 3.609 30 40 GHEB Cc1ccc(S(=O)(=O)N(C)C)cc1N/C(S)=N\[C@@H]1CCC[C@H](C)[C@@H]1C 8687984 HBPCLWDVOVVJRO-DUVNUKRYSA-N 383.583 3.768 30 40 GHEB O=C1/C(=C/c2cc3ccccc3o2)Oc2c1ccc(O)c2CN1CCOCC1 9576684 IAKZSFSSUFGZQJ-NDENLUEZSA-N 377.396 3.587 30 40 GHEB biogenic CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 18204267 IFPFTCBABLLVRJ-FOIQADDNSA-N 379.456 3.769 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccnc2)cc1 85409690 VDSJFFFNSDHLAH-HXUWFJFHSA-N 394.471 3.783 30 40 GHEB N#Cc1cc2c(nc1N1CCC[C@H](c3nnc4n3CCCCC4)C1)CCCC2 95348646 CVSHCZTUSQOTEP-KRWDZBQOSA-N 376.508 3.534 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/S(=O)(=O)c1ccccc1 100895762 IHYZYWUABLDPBD-SWTGTHOSSA-N 390.461 3.507 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 102801170 KYCDPNWRRZWGBT-WOOAAIBNSA-N 383.419 3.592 30 40 GHEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(C)cc2)cc1OC 902774 AFSARLXTYVHTDZ-OAQYLSRUSA-N 395.455 3.539 30 40 GHEB COc1cc(C#N)ccc1OCc1nnc(C(=O)Nc2ccc(C)cc2)s1 12752626 ZRHOTBANYFPQQM-UHFFFAOYSA-N 380.429 3.558 30 40 GHEB O=C(CO/N=C/c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 2652763 AQKHOYCVVHFMMK-HZHRSRAPSA-N 389.411 3.851 30 40 GHEB C=CCN(C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1nc2c(s1)CCCC2 12929700 XZTGUAGAFWZZTL-HNNXBMFYSA-N 399.516 3.686 30 40 GHEB C=CCn1c(=O)c(C(=O)Nc2ccccc2Br)c(O)c2ccccc21 5444044 BHDGHQDGOBFXCY-UHFFFAOYSA-N 399.244 3.908 30 40 GHEB COC(=O)c1cc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)ccc1Cl 409014139 PCIBZYGECFYQQF-JYQBEENSSA-N 391.807 3.738 30 40 GHEB N#Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 17191824 QGTWUBPQAQHETQ-UHFFFAOYSA-N 385.452 3.999 30 40 GHEB Cc1ccc(COc2ccccc2C=Nn2c(O)nc3ccccc3c2=O)cc1 409340693 AKAYNNTVVZDOJV-UHFFFAOYSA-N 385.423 3.872 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)c2C)c1 408589534 LPRGNECHHPORGB-XCFNILFGSA-N 387.483 3.934 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(O)c1)c1ccccc1 66088163 ILGYIZYSHZGJDQ-HXUWFJFHSA-N 387.391 3.881 30 40 GHEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(Cl)cc1 224714234 JDXARHRRAPSGMN-UHFFFAOYSA-N 379.865 3.816 30 40 GHEB CO[C@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)[C@H]1CCOC1 598815825 WLRBPGNZRNLVRI-PXNSSMCTSA-N 384.863 3.796 30 40 GHEB C#CCN1C(=O)S/C(=C\c2cccn2-c2ccc(Br)cc2)C1=O 1166596 SFQLLIYPHFQZEX-PTNGSMBKSA-N 387.258 3.909 30 40 GHEB O=C1CSC(=S)N1/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 3229325 UDBYJJNINJLKGE-GIJQJNRQSA-N 384.511 3.795 30 40 GHEB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)cc1C 19928055 DKCZWSMDEXHHRE-UHFFFAOYSA-N 394.456 3.868 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C3CCCCC3)cc21 9171328 HQMRDAURDSJIPY-UHFFFAOYSA-N 392.521 3.699 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nncs2)n(-c2cccc(F)c2)c1C 8528650 IQMVBWQLINJITC-UHFFFAOYSA-N 387.465 3.687 30 40 GHEB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C=O)(c4ccccc43)[C@@H]2C1=O 852717 PBIOYGUVAXOEOW-VUUXHMSQSA-N 393.442 3.745 30 40 GHEB biogenic CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 2345420 CJQUPRHTJFIGLB-CQSZACIVSA-N 381.350 3.560 30 40 GHEB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)ccc1OCC#N 3471033 UWXYXTUSNOBVEZ-AYAUWGRQSA-N 379.412 3.734 30 40 GHEB CN(C)C(=O)Oc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 5586255 TTZCZXCDAPFYJD-UHFFFAOYSA-N 396.410 3.540 30 40 GHEB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2sccc2C#N)cc1 5643740 OGBANYMAEOYFAA-UHFFFAOYSA-N 379.441 3.823 30 40 GHEB CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)cc1 5799214 IFPFTCBABLLVRJ-YWZLYKJASA-N 379.456 3.769 30 40 GHEB O=[N+]([O-])c1cccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c1 12523966 GAXDZNVYKKLCPC-UHFFFAOYSA-N 381.413 3.842 30 40 GHEB C[C@@H]1/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@]1(C(=O)O)c1ccccc1 13638422 GZBLEGZPSIEDSO-PWBPWBSGSA-N 398.375 3.723 30 40 GHEB COCC/N=C(/S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 13685293 MIMKRMQQSUSCMZ-SFHVURJKSA-N 392.546 3.645 30 40 GHEB C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(C)cc1 14082424 FXDKHNUJUQICOS-UHFFFAOYSA-N 392.528 3.891 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3C(C)C)C(=O)NC2=S)cc1 100201943 QHORFMDPEIHYQS-ORWNMUSCSA-N 379.485 3.885 30 40 GHEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409317875 SLEZGSJONNDJLW-UHFFFAOYSA-N 385.265 3.779 30 40 GHEB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 827134 RAGIFWXCWCNFAE-NSHDSACASA-N 385.514 3.880 30 40 GHEB CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2623103 MQWWWQIFEUTDKF-UHFFFAOYSA-N 395.463 3.538 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)Nc3nc4c(s3)CCCCC4)CC2)nc1 12830085 LQOCNCQFGGHPBS-UHFFFAOYSA-N 381.505 3.534 30 40 GHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@H]3[C@@H](C)C=C(C)C[C@H]3C)c(O)nc12 16977299 HSDNTQVKHHCNKZ-ZWJZFAQRSA-N 380.448 3.664 30 40 GHEB O=C1N/C(=N\N=C\c2ccccn2)S[C@H]1Cc1cccc(SC(F)F)c1 17015591 CIZCEUDVSNCUDP-MNUWJXFPSA-N 392.456 3.561 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2C1=O 25538088 BJECWTDZWIBHRX-IBGZPJMESA-N 378.403 3.585 30 40 GHEB C[C@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C[C@H](C)O1 30001663 ZZCYROWALPADNF-HOTGVXAUSA-N 380.448 3.688 30 40 GHEB N#C[C@](N)(C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 31820270 YQDBZDIMYUIBPM-GOSISDBHSA-N 376.243 3.659 30 40 GHEB O=C(O)c1nn(-c2ccc(Br)cc2)cc1/C=N/Nc1ccccc1 72238888 SXQCECFINTYMOR-VXLYETTFSA-N 385.221 3.779 30 40 GHEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)N2C)cc1 213168267 YTRYCGCCANNHKS-OUYOUGTCSA-N 382.441 3.692 30 40 GHEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)cc1 409091430 UHGXRCBLMQZITO-CIAFOILYSA-N 393.359 3.923 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@@H]2c1ccccc1 1431778 CUYCJFPTSKHURM-SIFCLUCFSA-N 395.480 3.542 30 40 GHEB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccnc(Cl)c1 95468053 NAVYRBPBZCPQOW-CMDGGOBGSA-N 381.819 3.994 30 40 GHEB CC(=O)C1=C(c2ccc(F)cc2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 9712847 UKCYOSLGQPXNBQ-UHFFFAOYSA-N 394.431 3.632 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)[C@H](C)Oc1ccc(Cl)cc1)NCC2 5429273 UHNXCSKBFZCLPD-CYUIRQCWSA-N 387.863 3.880 30 40 GHEB N#Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1Cl 4934413 MIXOCNBEZUQROZ-UHFFFAOYSA-N 384.848 3.916 30 40 GHEB COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N/C2CCCC2)NC1=O 7850560 DIRXEIVGJHYXAR-OAHLLOKOSA-N 395.912 3.516 30 40 GHEB Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3)n2)cc1 7995180 DYCDXPIATALWMN-UHFFFAOYSA-N 376.441 3.760 30 40 GHEB O=C1CCCC2=C1[C@H](c1cc([N+](=O)[O-])ccc1O)C1=C(N2)c2ccccc2C1=O 17966886 CDUYZPLDZUEFFR-SFHVURJKSA-N 388.379 3.602 30 40 GHEB COc1cccc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c1O[C@@H](C)C(=O)O 409232685 BHIWHYIFGZTKAO-ZFKRWFGPSA-N 377.780 3.649 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccn5)CC4)[C@H]3C[C@@H]12 12653178 QMEJGQOTWQAANE-IZBDVAQHSA-N 395.547 3.518 30 40 GHEB biogenic COc1cc(OC)c(OC)cc1/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O 15012537 MCVVKYBDKUEFCH-VCHYOVAHSA-N 384.457 3.912 30 40 GHEB O/C(CN1CCC[C@@H](COc2ccccc2F)C1)=N\c1nnc(C2CC2)s1 19658596 FALYDNIXPSMCBK-CYBMUJFWSA-N 390.484 3.934 30 40 GHEB COC(=O)/C(=C/C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 100249058 CYOKBDAXCWIVFW-GDNBJRDFSA-N 394.305 3.965 30 40 GHEB COc1ccc(/C(C)=N/OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 5112193 QRFNCSHKZFCAJA-YDZHTSKRSA-N 383.473 3.886 30 40 GHEB C=CCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 12204226 XFFOXPQYTMZIJL-UHFFFAOYSA-N 379.382 3.984 30 40 GHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(C(=O)O)c1 13143437 DUEWEVXFMNFKQJ-FBHDLOMBSA-N 379.376 3.542 30 40 GHEB COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 18056923 IJXSVYGTUIOZKG-OAQYLSRUSA-N 390.439 3.704 30 40 GHEB COc1ccc(CC/N=C2\NN=C(c3c[nH]c4ccccc34)CS2)cc1OC 21323509 PKHUZPIBTSNENB-UHFFFAOYSA-N 394.500 3.824 30 40 GHEB O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(F)cc1)c1ccc2ccccc2c1 32575669 VJZWBUYWJSEYJP-QRVIBDJDSA-N 394.431 3.681 30 40 GHEB Cc1ccc(-c2nc(CO/N=C(/N)c3cccnc3N3CCCCC3)cs2)o1 58498112 REVKZICOPZQNRU-UHFFFAOYSA-N 397.504 3.934 30 40 GHEB N/C(=N/OCc1nnc(-c2ccccc2C(F)(F)F)o1)c1ccc(F)c(F)c1 65205219 FQLKYOIIZZVVCI-UHFFFAOYSA-N 398.291 3.871 30 40 GHEB C=CCCO[C@H](C)C(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 66319812 MEMRTZIWYVZAMA-QZTJIDSGSA-N 382.545 3.852 30 40 GHEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1C(=O)N1CCCCC1 101423209 SUTMAUCYNKOGJX-HIXSDJFHSA-N 389.459 3.503 30 40 GHEB C#CCOc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931443 LRLMNTURDCCRJP-HZHRSRAPSA-N 384.863 3.948 30 40 GHEB Cc1cc(N(CCC#N)CCC#N)ccc1C[C@@H]1N=C(c2ccccc2)OC1=O 1626596 CAXCBLIMJGHOFX-NRFANRHFSA-N 386.455 3.543 30 40 GHEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1 4849000 QAYVRUPPVKRQSH-UHFFFAOYSA-N 391.452 3.917 30 40 GHEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 8559667 MHADLGQQSSFPPR-LBPRGKRZSA-N 381.350 3.850 30 40 GHEB C#CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OCC 107809920 UBDTZZBMBZCHIR-UHFFFAOYSA-N 394.540 3.591 30 40 GHEB O/C(=N\c1nnc(CCN2CCCCC2)s1)c1ccccc1Br 51325982 KLWLQDIAMDSRJQ-UHFFFAOYSA-N 395.326 3.965 30 40 GHEB O=C(/C=C/N1CCN(Cc2ccccc2F)CC1)c1ccc(OC(F)F)cc1 35679283 APDNMYRVPSDZTI-MDZDMXLPSA-N 390.405 3.941 30 40 GHEB CC1=C/C(=N/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)CC(C)(C)C1 13140517 GWPPJMWKLYZPKC-VBHMAFOESA-N 384.505 3.725 30 40 GHEB CCOc1ccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)cc1OC 5959764 SKRDAGVFOZMNCY-UDWIEESQSA-N 384.461 3.906 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 9691538 OJTODCQPHJFBKQ-UHFFFAOYSA-N 379.504 3.752 30 40 GHEB C=CCO[C@H](C)C(=O)Nc1ccccc1[C@@H](NC(=O)[C@@H](C)OCC=C)C(C)C 95443743 BOLLVIMQUOHYLV-HLIPFELVSA-N 388.508 3.621 30 40 GHEB CC(C)Oc1cc(CN(CC(=O)Nc2cc(Cl)ccc2C#N)C2CC2)ccn1 89887977 YYLUREOGEKYXOI-UHFFFAOYSA-N 398.894 3.997 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccccc3Cl)c(C#N)c2=O)cc1 409200313 KRDWTGNIFDNQPO-FLIBITNWSA-N 391.814 3.935 30 40 GHEB O=C(Cn1cc(/C=N\c2ccc3ncccc3c2)c2ccccc21)N1CCOCC1 408859070 VTMZVBYMYATRQH-YSMPRRRNSA-N 398.466 3.799 30 40 GHEB C=CCN(Cc1ccc(C(=O)N[C@H](C)CC)cc1)S(=O)(=O)c1ccccc1 260561262 BAZIBJRTJCBYLE-QGZVFWFLSA-N 386.517 3.592 30 40 GHEB CC(C)C(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F 5481667 VISPEFMAVYIQRR-GZMMTYOYSA-N 378.288 3.552 30 40 GHEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 5377153 KLMRJEAUFFHLGG-KUHUBIRLSA-N 377.835 3.742 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)cc1OC 102494393 FJYBCWDKODRYGV-NHFXJNLRSA-N 395.455 3.926 30 40 GHEB COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1Cl 408850319 LGTDPUGJQIMCDK-DNTJNYDQSA-N 382.199 3.994 30 40 GHEB CN(c1ccsc1C(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccccc1 48986820 UHOIASCBXMAZNY-UHFFFAOYSA-N 397.481 3.697 30 40 GHEB Cc1cccc(C(=O)N2CCN(c3oc(-c4ccc(F)cc4)nc3C#N)CC2)c1 12418294 ANIOZJSRAVNHMF-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)cc2)ccc1O 20403684 LMUCPVNWHCLVHK-UHFFFAOYSA-N 385.427 3.872 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 102568879 SWDLSFDZRQJSTL-WOOAAIBNSA-N 381.428 3.623 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102881016 DMRFWWZCEWVZSA-NHFXJNLRSA-N 389.407 3.910 30 40 GHEB N#Cc1cccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)c1 3318655 MPEMCZMDHUYDPG-UHFFFAOYSA-N 379.441 3.673 30 40 GHEB N#Cc1ccccc1OCC(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 6226870 YYKBDXUCOWJFQX-UHFFFAOYSA-N 398.503 3.974 30 40 GHEB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1cccc(C#N)c1 7329155 VKJCVKIKGLTEHT-UHFFFAOYSA-N 377.227 3.680 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC(O)(c3ccccc3C)CC2)cc1OC 12290327 ASVDHYYXXOJCKY-UHFFFAOYSA-N 381.472 3.692 30 40 GHEB C#CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 15013183 DACKALFWGRDKPE-GZTJUZNOSA-N 396.830 3.848 30 40 GHEB C=CCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1nc(-c2ccccc2)cs1 23078504 YTGUYMGAEFUTFD-OXJNMPFZSA-N 399.541 3.783 30 40 GHEB CC(C)[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCCO2 57383298 GNQGMECXKNOAEN-LJQANCHMSA-N 385.489 3.706 30 40 GHEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224895907 SSNOZYSCYZZNEA-UHFFFAOYSA-N 378.881 3.988 30 40 GHEB COc1cc(/C=C2\Cc3ccccc3C2=O)cc(I)c1O 409368700 ILTQIZLQTIQWGQ-WUXMJOGZSA-N 392.192 3.828 30 40 GHEB N#C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 596736958 UKQAPWIMQPLRFT-QFBILLFUSA-N 397.500 3.864 30 40 GHEB CC(=O)c1sc(NC(=O)COc2ccc(C#N)cc2)nc1-c1ccccc1 6235389 GOYCTNYNMPNLJM-UHFFFAOYSA-N 377.425 3.902 30 40 GHEB COc1cc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc(OC)c1O 3294906 RDHMSJSMVYTAHY-ZVBGSRNCSA-N 399.394 3.749 30 40 GHEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCCCC2)c1ccc([N+](=O)[O-])cc1 3212759 GCMSMMNKYDDASW-UHFFFAOYSA-N 376.436 3.960 30 40 GHEB N#Cc1c(N)n(-c2ccc(Br)cc2F)c2nc3ccccc3nc12 3300016 FKNKOMRALAUYEF-UHFFFAOYSA-N 382.196 3.929 30 40 GHEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 2331221 SBXPPTLIBVNPQD-HTIXJGPSSA-N 397.500 3.948 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1O)c1c(O)n[nH]c1N2 18196969 LGZNPSPXOMMPHM-HWPZZCPQSA-N 379.441 3.841 30 40 GHEB CN(C(=O)CN1CCn2cccc2[C@@H]1c1ccccc1)C1(C#N)CCCCC1 12950963 FISPZIBTDPUCDW-QFIPXVFZSA-N 376.504 3.578 30 40 GHEB Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18200628 WHGCJJNTZUDZDV-DIFFPNOSSA-N 381.823 3.522 30 40 GHEB CN(C)c1nc(N/N=C/c2ccccc2Cl)nc(Nc2ccc(F)cc2)n1 4474703 FZRCHQPFVGWVBL-SRZZPIQSSA-N 385.834 3.920 30 40 GHEB CN(C)c1nc(N/N=C/c2ccc(Cl)cc2)nc(Nc2ccc(F)cc2)n1 4474096 KOKIEPNQSUOWCH-SRZZPIQSSA-N 385.834 3.920 30 40 GHEB CN(C(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C1(C#N)CCCCC1 5448077 ANERFKVYPIFQGR-JXMROGBWSA-N 394.393 3.947 30 40 GHEB CCOc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408771281 FLHKFFAFXJHRMG-KGENOOAVSA-N 384.457 3.907 30 40 GHEB COc1ccc(/C=N/N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 973307 RBCXMCMXZFGMET-XAJBPTSZSA-N 384.482 3.939 30 40 GHEB C=CCOc1ccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 5023717 KSBQVHUJCKXUPQ-YHBROIRLSA-N 388.427 3.760 30 40 GHEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1 40283536 XHHXQOAZAOCSSC-XIKOKIGWSA-N 378.388 3.651 30 40 GHEB O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 4489355 KLWOPKUHQXGYOU-QGOAFFKASA-N 393.490 3.972 30 40 GHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@@H]3[C@@H](C)CC(C)=C[C@H]3C)c(O)nc12 5026826 HSDNTQVKHHCNKZ-NJWRWQAQSA-N 380.448 3.664 30 40 GHEB C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 6105741 ZWJMPZCJJSOYBR-ZDUSSCGKSA-N 390.472 3.616 30 40 GHEB COc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165040 ZTLBWIYVBPTPTQ-RFAUZJTJSA-N 378.354 3.574 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c(OC)c1 18196803 BQMVPZQYGMXLPL-OAQYLSRUSA-N 379.412 3.997 30 40 GHEB C=C(C)Cn1nc(C)c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C 19577977 WCZLWRJHEDGQAR-PGRDOPGGSA-N 392.551 3.728 30 40 GHEB CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)cc(Cl)c1OC 20196533 AUOFXHFKZNPFGD-WSDLNYQXSA-N 378.856 3.888 30 40 GHEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3CN(C)C)C1=O)cn2C 20647461 KNOHSJZKBFUZQM-AWQFTUOYSA-N 378.428 3.570 30 40 GHEB COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 40128524 CMMYCIDLWGOOOH-UHFFFAOYSA-N 393.395 3.746 30 40 GHEB Cc1ccc(-n2nc(C)c(C(=O)Nc3sc4c(c3C#N)CCC4)n2)c(C)c1 58988311 KXLBQDHRFQZGOI-UHFFFAOYSA-N 377.473 3.867 30 40 GHEB Brc1cc(/C=N/c2cccnc2)oc1I 408951283 INWZKAHIGSXLKN-MKMNVTDBSA-N 376.979 3.792 30 40 GHEB Cc1cccc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1C 409403540 AAYZKKCJUBCTEL-YHDSQAASSA-N 387.483 3.852 30 40 GHEB CC/N=C(/S)N1CCN(c2nc(CC)nc3sc4c(c23)CCCC4)CC1 1378886 KFJQYKWOBRSTTA-UHFFFAOYSA-N 389.594 3.560 30 40 GHEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccc([N+](=O)[O-])cc1 3206289 JFLJJMAMOJTNFX-KRWDZBQOSA-N 385.445 3.614 30 40 GHEB C#CCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033478 KFAIRRMYSRRRHG-AWEZNQCLSA-N 394.272 3.953 30 40 GHEB CS/C(S)=N\N=C(\C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 5831001 XMMVECJQUUJIMV-AQTBWJFISA-N 393.559 3.885 30 40 GHEB CN(C)/C=C(\C(=O)c1cccc(Cl)c1)c1nnnn1-c1ccc(Cl)cc1 6176733 OOTMWYCQBRVWMZ-LFIBNONCSA-N 388.258 3.755 30 40 GHEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 7564505 HOXMSQXRMOGYKE-AWEZNQCLSA-N 389.411 3.757 30 40 GHEB N#Cc1c(COC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)cn2ccccc12 84606662 OVNPWLBNPMBKEI-OAHLLOKOSA-N 385.832 3.762 30 40 GHEB O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccs1)c1ccccc1 96294913 PTMXAZBFBZCHPT-GOSISDBHSA-N 393.468 3.613 30 40 GHEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408855214 DIMKCJYQAAIKBB-JJFYIABZSA-N 378.384 3.947 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(C)cc2c1=O 784832 NKXIBAXCICBSGT-UHFFFAOYSA-N 385.514 3.992 30 40 GHEB CCCCCCCC[C@@H](C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O 1685781 YWJNGQZJZZJQAS-INIZCTEOSA-N 381.494 3.513 30 40 GHEB COc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 1835942 ZXEXAQOVWFJYQO-UHFFFAOYSA-N 395.484 3.848 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3F)nnc12 5277510 ZUCSPNWFNGBFQV-UHFFFAOYSA-N 396.447 3.540 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1cccs1 6813514 IBQLGDRAJAHHDK-WMLDXEAASA-N 387.432 3.645 30 40 GHEB Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCCCCC1 6839712 OWGVDYGRHGYRLX-UHFFFAOYSA-N 397.500 3.684 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 7978997 ZVGGHKCVPVPWQN-XNWJVHIKSA-N 383.419 3.824 30 40 GHEB C=CCn1c(N2CCC(C(=O)NCc3ccccc3F)CC2)nc2ccccc21 12116479 GRPDXXLLJGOGIA-UHFFFAOYSA-N 392.478 3.894 30 40 GHEB Cc1cc(C)cc(-n2c(=O)c3ccccc3n3c(SCCC#N)nnc23)c1 15243798 YIRHQQXVHYRMHH-UHFFFAOYSA-N 375.457 3.656 30 40 GHEB N#Cc1ccc(/C=C/C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 69381887 LDPJDRRKKOJOOU-SOFGYWHQSA-N 381.426 3.630 30 40 GHEB COc1ccccc1OCC#CCNC(=O)CCC(=O)c1ccc(Cl)cc1 90610338 NAJDRRJOWBAEIZ-UHFFFAOYSA-N 385.847 3.510 30 40 GHEB Clc1cc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)ncn1 95455287 HFISGKXSZFBKOC-BHGWPJFGSA-N 375.823 3.824 30 40 GHEB N#Cc1ccc([C@H]2SCC(O)=Nc3c2cnn3-c2ccc(C(=O)O)cc2)cc1 95476962 SQQLGLKIQDYHNS-GOSISDBHSA-N 390.424 3.866 30 40 GHEB C=CCc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(OCC)c1OCC 409144786 GRBNIMNXSXRZKV-GHRIWEEISA-N 391.489 3.895 30 40 GHEB N#Cc1ccc(N=c2cnc([C@@H]3CCCN3Cc3cccc4[nH]ccc34)c[nH]2)cn1 585294579 SANQCDMISUKVQX-QFIPXVFZSA-N 395.470 3.727 30 40 GHEB CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 598800202 NRNYCMQVFLBUBH-CRAIPNDOSA-N 393.472 3.614 30 40 GHEB CCOc1ccc2nc(SCC(=O)Nc3nnc(CC)s3)c(C#N)cc2c1 4125413 YTBYWBXHZKSPCG-UHFFFAOYSA-N 399.501 3.650 30 40 GHEB C[C@H]1CCCN(Cc2ccccc2CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 105638051 DEDYJYPVTMTKQQ-OALUTQOASA-N 391.515 3.874 30 40 GHEB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N(CCC#N)c1ccccc1 2626554 ZUZNLEUYAZJRPD-UHFFFAOYSA-N 386.835 3.517 30 40 GHEB C=CCOC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 4747384 CPRUJUKBOMHGAD-UHFFFAOYSA-N 380.396 3.885 30 40 GHEB C(=N\N=C(N/N=C\c1cccs1)N/N=C\c1cccs1)\c1cccs1 73057802 QDSXVYQCPUYZEZ-QTRKZGFCSA-N 386.531 3.808 30 40 GHEB COc1cccc(OCc2nc(SCc3ccccc3F)nc(N)c2C#N)c1 223693062 MGDNIHJSERFAPN-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB CO[C@H](C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)[C@@H]1CCOC1 598815827 WLRBPGNZRNLVRI-XLIONFOSSA-N 384.863 3.796 30 40 GHEB CN(C)c1nc(N/N=C/c2c[nH]c3ccccc23)nc(Nc2ccc(F)cc2)n1 15228196 IDOLDFPUHYEXJF-FSJBWODESA-N 390.426 3.748 30 40 GHEB CN(C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)C1(C#N)CCCCC1 6063120 XVVXGUBVVMWBAN-UHFFFAOYSA-N 386.467 3.866 30 40 GHEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 27025328 FYANSVDHXSDKNZ-INIZCTEOSA-N 390.892 3.541 30 40 GHEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Oc3ccccc3F)c(F)c2)C(=O)O1 103908770 BGUZVLXDHJYGEL-IEJURRBGSA-N 384.334 3.985 30 40 GHEB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1cccc(C#N)c1 28682361 QCQNWMXCOHHNRL-LLVKDONJSA-N 379.470 3.935 30 40 GHEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 408536667 SKTSXFUTUMSZTJ-HNNXBMFYSA-N 390.226 3.903 30 40 GHEB CCN(CC)c1ncc(C#N)c(NC(=O)CSc2nc3ccccc3s2)n1 19796947 BNWMUFBPBHXWFK-UHFFFAOYSA-N 398.517 3.535 30 40 GHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccc(N(C)C)cc2)cc1 4909413 TYYYDUMAIAMRJT-VSCUPUTBSA-N 396.516 3.615 30 40 GHEB C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 71797496 BDUKKNKEHSWAGJ-HNNXBMFYSA-N 398.956 3.799 30 40 GHEB CN(C)/C=C/C(=O)C1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 72233831 SDYSZYJGXMZDFC-JLHYYAGUSA-N 376.472 3.739 30 40 GHEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3C)CC2)s1 224400063 RQVUBLOVCJTARP-UHFFFAOYSA-N 388.562 3.975 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccsc2c1=O 9691182 QTWQJQMLPVTGAB-CYBMUJFWSA-N 385.514 3.614 30 40 GHEB CC1(C)CC(OS(=O)(=O)c2ccc(Br)cc2)CC(C)(C)N1O 1872312 UYZDJOBBXHJELH-UHFFFAOYSA-N 392.315 3.565 30 40 GHEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)c1 2174430 ABAPENOOLUFBBJ-GPLLRDDGSA-N 382.441 3.739 30 40 GHEB Nc1c(Cl)cc2c(c1C#CC(=O)c1ccccc1)C(=O)c1ccccc1C2=O 4689521 CWNJPPPEODICTP-UHFFFAOYSA-N 385.806 3.932 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc2c(c1)OCO2 5249594 XSUPNJPATATKPY-UKWGHVSLSA-N 387.347 3.646 30 40 GHEB COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 18137723 RZMYTWGOWMUCRL-KRWDZBQOSA-N 383.473 3.560 30 40 GHEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1cc(Br)cn1 28230970 RKLKWKSKQVVYNE-VIFPVBQESA-N 379.283 3.657 30 40 GHEB CN(CCOc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95954495 JCOGFZTXCVNGBR-PKOBYXMFSA-N 377.271 3.834 30 40 GHEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224244200 HHRDAHMQRUATEQ-UHFFFAOYSA-N 399.299 3.734 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 409043589 RTDPIEJOMXZKMY-ISBUKZAHSA-N 398.462 3.653 30 40 GHEB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C#N)c2)cc1 3342106 NLFBSTKFLLHWAD-UHFFFAOYSA-N 392.488 3.607 30 40 GHEB COc1ccc(CCn2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1OC 6760568 ATZHIMQJLSQBKU-UHFFFAOYSA-N 399.516 3.783 30 40 GHEB C=CCn1c(S[C@@H](CC)C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 12862103 IWVUIMCELPNWOZ-ZDUSSCGKSA-N 392.546 3.957 30 40 GHEB COc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608751 PAGITFBEFQFJOD-VLIAUNLRSA-N 376.416 3.604 30 40 GHEB O=C1CCC(/C(O)=N/c2nnc(-c3ccccc3)s2)=NN1Cc1ccccc1 40131195 SXDRDCFAXJGGLS-UHFFFAOYSA-N 391.456 3.972 30 40 GHEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 46849725 ZJPKMHMHPUYZGR-UHFFFAOYSA-N 389.377 3.809 30 40 GHEB Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 59489975 GZQWMPMNMWAOCA-UDWIEESQSA-N 396.476 3.735 30 40 GHEB CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 100253349 GBOVEFLGZHBXFK-HYARGMPZSA-N 380.473 3.699 30 40 GHEB CCOC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218406652 UBBKURRLBHUXDA-QYZOEREBSA-N 375.877 3.826 30 40 GHEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 223733177 QXPFSRFYINTFRQ-UHFFFAOYSA-N 381.881 3.734 30 40 GHEB C=CCN(Cc1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224468194 HSHKRDGGGNUTBX-UHFFFAOYSA-N 398.528 3.690 30 40 GHEB Cc1ccc(/N=C\c2ccc(O)c(I)c2)cc1[N+](=O)[O-] 408904832 PFHULPTZRSJTIB-PXNMLYILSA-N 382.157 3.964 30 40 GHEB N#Cc1ccc(OCC(=O)/N=c2\sccn2Cc2ccccc2Cl)cc1 6646777 KUBIODNVHROBPM-QOCHGBHMSA-N 383.860 3.629 30 40 GHEB N#Cc1ccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)cc1 6781264 BBNAJCMTUCAZJC-UHFFFAOYSA-N 391.434 3.826 30 40 GHEB Sc1nnc(-c2[nH]nc3c2CCC3)n1/N=C/c1ccc(-c2ccccc2)cc1 6786140 YFSPFXIYIGOKQB-LPYMAVHISA-N 386.484 3.995 30 40 GHEB C=CCOc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1OC 10100717 ZKLJFXJLXGGUOU-UHFFFAOYSA-N 380.488 3.786 30 40 GHEB C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C1CC1 14228339 WFCMNJWIGHRDMZ-AWEZNQCLSA-N 379.485 3.817 30 40 GHEB COc1ccc(CN/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1OC 20196166 FSLCEADIPOBQTP-YDZHTSKRSA-N 380.400 3.786 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)nc1 102948052 UKVQWEAYZWLGKF-JIJUWICJSA-N 376.526 3.502 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409051970 PCDREVGDPVWFBB-RGEXLXHISA-N 397.427 3.953 30 40 GHEB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=S)Nc1ccccc1 409095874 IVTICTOTMCJENL-STZFKDTASA-N 384.505 3.625 30 40 GHEB O=[N+]([O-])c1cccnc1N/N=C/c1cccn1-c1cccc(Br)c1 409096094 JGZOZRLDYFNSPE-YBFXNURJSA-N 386.209 3.989 30 40 GHEB COc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1O[C@H](C)C(=O)O 409242506 OBPNPTFBPYUIPK-XTTRTJGBSA-N 378.768 3.859 30 40 GHEB N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3311174 OTOLTBWMWRKBOK-UHFFFAOYSA-N 387.443 3.561 30 40 GHEB Cc1c(C(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 4689382 HKHLRZQVCIGLIQ-UHFFFAOYSA-N 382.203 3.882 30 40 GHEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 6315304 DKIQCKJTARKUJO-UHFFFAOYSA-N 377.425 3.611 30 40 GHEB CC(C)Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2ccccc2c1=O 8230320 BBBKRFPDCIGMHA-UHFFFAOYSA-N 392.484 3.655 30 40 GHEB C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C(=O)O 9419682 NPVAOXSGEDEGJQ-NUEDXCKTSA-N 389.201 3.917 30 40 GHEB C[N+](C)(C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 16957511 XWWQIGFMXIYJTA-IDUDEYGOSA-N 389.519 3.661 30 40 GHEB N#Cc1ccc(COC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1 32860280 CIDFWJLGAXDDHT-UHFFFAOYSA-N 398.478 3.853 30 40 GHEB CC(C)[C@@H](CC#N)OC(=O)CCc1nc(-c2cc(Br)cs2)no1 72310783 XRSJZBCFVCKKIJ-LLVKDONJSA-N 398.282 3.975 30 40 GHEB N#CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CCCCCC1 84498040 AOKCZKGMLTXELA-UHFFFAOYSA-N 396.535 3.846 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)s1 139053892 VCLDJYJBFCTQBI-FOCIWHPXSA-N 375.475 3.536 30 40 GHEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081118 ITKGNWUQWZLGSU-UHFFFAOYSA-N 376.434 3.602 30 40 GHEB COc1cccc2ccc(/C=C3\S/C(=N/c4nnc(C)s4)N(C)C3=O)nc12 256055781 SWGHNLFICHGFBG-UNQHAAFXSA-N 397.485 3.637 30 40 GHEB Cc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)c1 408741025 JIEQZEXJDJKTOD-SBUZPKSBSA-N 385.876 3.723 30 40 GHEB COC(=O)c1ccc(C)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 409101472 UFJKGXMDVGKUIY-QGMBQPNBSA-N 393.193 3.909 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(F)c1)OCCO3 1355036 DZWRVZZTKUNRPY-UHFFFAOYSA-N 395.415 3.748 30 40 GHEB N#Cc1cn2c(nc1NC(=O)c1cccc(Br)c1)nc1ccccc12 629577 BZRLSHLJCOUMKR-UHFFFAOYSA-N 392.216 3.769 30 40 GHEB C=CCn1c(SCC(=O)NCC)nnc1-c1cc2c(s1)CC[C@H](CC)C2 3382635 LCGIPPCNDCDHCJ-ZDUSSCGKSA-N 390.578 3.936 30 40 GHEB Cc1nc2ccccc2nc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]nc(O)c21 18200369 TYPKYOFQIHMDFH-MRXNPFEDSA-N 375.432 3.568 30 40 GHEB CCc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)s2)cc1 6559199 QMDYTQWBLOAMIV-GOSISDBHSA-N 387.534 3.745 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)c1 17862661 CPJNYUICFVMMPT-HXUWFJFHSA-N 396.487 3.735 30 40 GHEB CCCc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1 95373426 PQDPCYSKAKKZOY-CQSZACIVSA-N 392.443 3.559 30 40 GHEB C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 98076116 HBCNIZDYTBHFFW-UHFFFAOYSA-N 384.929 3.553 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C/c3cc4c(cc3Cl)OCO4)S2)cc1 408890630 WUDBSTFETYGOAU-APSNUPSMSA-N 388.832 3.969 30 40 GHEB Cc1cc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ccn1 598601307 SWCSGGUBFUOFRC-LJQANCHMSA-N 385.309 3.535 30 40 GHEB C=CCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1OC 12344702 CPIWGUFOLOWHEC-UHFFFAOYSA-N 397.515 3.925 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nccs1 85409849 YKQQLOYQXCHMOU-HNNXBMFYSA-N 382.397 3.528 30 40 GHEB CCCC/N=C1/S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC 100918858 JUMQOMBRFKELOX-UAFUQJIBSA-N 391.537 3.924 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1nonc1N2 12409604 DIEFAULJNDTFRJ-PIGZYNQJSA-N 380.429 3.816 30 40 GHEB C/C(=N/OC[C@@H](O)CNCCSCc1ccccc1)c1ccccc1Cl 5566164 OWCXOARYKZIWND-PAJXCOJRSA-N 392.952 3.965 30 40 GHEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)s1 6295165 PJBNHBGFTATDNH-MRXNPFEDSA-N 395.440 3.526 30 40 GHEB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 6881141 BSELFICZQGNKQW-HNNXBMFYSA-N 393.468 3.904 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)cc1C 6909808 GLOCEXINWWZXKF-UHFFFAOYSA-N 381.299 3.574 30 40 GHEB Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1C 7990243 DWXIWJCMYNBPKR-UHFFFAOYSA-N 399.451 3.562 30 40 GHEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cccnc1 9109483 XCJQXNCJKYYAPY-IBGZPJMESA-N 387.443 3.978 30 40 GHEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 12348559 DCEYYFFUADBUEV-LJQANCHMSA-N 387.439 3.739 30 40 GHEB COc1ccc(C2=C(N3CCN(c4ccccn4)CC3)c3ccccc3C2=O)cc1 20248183 ITJOGFANNLOXOO-UHFFFAOYSA-N 397.478 3.977 30 40 GHEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102798966 GLOSQQFJCRLFEQ-UYTDBDHRSA-N 380.400 3.909 30 40 GHEB N#Cc1ccc(-c2csc(NC(=O)C3(C(F)(F)F)CCOCC3)n2)cc1 598800191 NIYUAWWOJSFXPN-UHFFFAOYSA-N 381.379 3.979 30 40 GHEB C=CCn1c(=N)c(-c2nc3ccccc3s2)cc2c(=O)n3ccccc3nc21 100706964 DJCOMGLWIHHORA-UHFFFAOYSA-N 385.452 3.591 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c1 6299667 PBKASPZRBGZBPY-UFWORHAWSA-N 384.339 3.640 30 40 GHEB COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 18195063 IHYVQSWPWBQSQL-OAQYLSRUSA-N 389.455 3.697 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@H]4[C@H](C)C=C(C)C[C@H]4C)c(O)nc3c2c1 8743468 VJKINILCVSZAGY-PIJNHVNMSA-N 380.448 3.664 30 40 GHEB Cc1ccc(S(=O)(=O)OC[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cc1 22065663 LYVSPZZHZZMALL-PXNSSMCTSA-N 377.481 3.575 30 40 GHEB in-vitro O=C1C(Cl)=C(N2CCN(C/C=C\c3ccccc3)CC2)C(=O)c2ccccc21 20469948 ZQHIIOYUWWNYQL-TWGQIWQCSA-N 392.886 3.847 30 40 GHEB CCC(=O)N1CCN(c2c(Cl)ccc3sc(NN=C(C)C)nc23)CC1 72230160 MMZQHARMIOLNTC-UHFFFAOYSA-N 379.917 3.816 30 40 GHEB COc1ccc(Cl)cc1NC(=O)NCC1CCN(c2ncccc2C#N)CC1 70929543 KJZQLIVZZGZVNE-UHFFFAOYSA-N 399.882 3.653 30 40 GHEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccco1 33957640 CEKYERBLOISCOV-YBFXNURJSA-N 396.315 3.761 30 40 GHEB N#Cc1ccccc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 25286998 BVMDJIPPBHHFLA-UHFFFAOYSA-N 392.484 3.676 30 40 GHEB CC(C)CCc1nnc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)s1 599803045 AQJULTBGYWFWNJ-UHFFFAOYSA-N 399.520 3.826 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2)o1 1529337408 IUVVCKYNMGDRRT-HBJARIJESA-N 392.842 3.987 30 40 GHEB Cc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)cc1C#N 1549162802 WGMQDJNBEKSKEX-UHFFFAOYSA-N 375.472 3.565 30 40 GHEB CN(C)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 6366933 XYORPZBPJHUYQD-OVCLIPMQSA-N 398.528 3.823 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1 12418247 IKZCBUFHOCRGPR-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(F)cc1 4943487 XITWXPBGWGQVJX-UHFFFAOYSA-N 397.406 3.721 30 40 GHEB CCOCCCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 6058195 BXTSYIZFZIAIQB-UHFFFAOYSA-N 379.485 3.987 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1cccc(-c2csc(C)n2)c1 7784352 IGWVCGWQJCFCGG-UHFFFAOYSA-N 385.518 3.935 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 18197362 KKCYZGXWRJZQED-KZULUSFZSA-N 393.428 3.664 30 40 GHEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(C)cc1 32776991 LMHNSHZWFDDIQC-UHFFFAOYSA-N 399.564 3.532 30 40 GHEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(O)cc1 33615757 MPRKSJBINFVNCF-AWEZNQCLSA-N 382.489 3.687 30 40 GHEB CN(C[C@@H]1COc2ccccc2O1)/C(O)=N/c1nnc(-c2ccsc2)s1 52496430 WIXIMBNJZOBUDV-GFCCVEGCSA-N 388.474 3.584 30 40 GHEB N#Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCCCCC2)cc1 57710800 SKZOLTHIWBTQAL-JOCHJYFZSA-N 386.503 3.753 30 40 GHEB Cc1cc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 80346618 RNBCSAXPAKIKTK-UHFFFAOYSA-N 382.203 3.882 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C#N)[C@@H]2c2ccc(Br)cc2)cc1 218225916 IQUCXSAAPCXLAT-ULQDDVLXSA-N 376.275 3.837 30 40 GHEB CCCCCCCCNC(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 408721232 FQJQUJGUUJGKQJ-UHFFFAOYSA-N 379.460 3.973 30 40 GHEB O=C(O)c1cc(/N=C\c2cc(Br)c(Br)o2)ccc1O 408950948 GYIBVLHANGMIST-WCSRMQSCSA-N 388.999 3.959 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1OCc1ccccc1F 409401627 BNYNCCUXJLIRNJ-LATRNWQMSA-N 390.414 3.546 30 40 GHEB COCc1ccc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)o1 585294391 QNLHHCVAQGDFRV-SFHVURJKSA-N 395.488 3.652 30 40 GHEB CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CCCC2 2792341 LPPVJMBZNYTVSV-UHFFFAOYSA-N 379.283 3.730 30 40 GHEB N#C[C@@H](C(=O)CCC(=O)NCCc1ccccc1)c1nc2ccccc2s1 1613961 DDILFQVJQVUPOH-INIZCTEOSA-N 377.469 3.612 30 40 GHEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1cccc(OC(F)F)c1 7016470 VASGPYIUWGRQSJ-UHFFFAOYSA-N 386.310 3.701 30 40 GHEB COc1cc(C#N)ccc1OCc1csc(CC(=O)Nc2ccccc2)n1 58177856 LBUVETAYLFSWEG-UHFFFAOYSA-N 379.441 3.784 30 40 GHEB COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C)cc1 13714758 QMORSIQLIJBOBO-YBLIXAOFSA-N 383.473 3.662 30 40 GHEB N#CCc1ccc(NC(=O)COC(=O)c2cc(F)c(Cl)cc2Cl)cc1 7554240 DFYOHAJANSHWKA-UHFFFAOYSA-N 381.190 3.994 30 40 GHEB C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccccc1OC 16695950 KTKZSBITXBTYMM-GSGORFQQSA-N 397.475 3.897 30 40 GHEB N#Cc1c(N)nc(SCC(=O)Nc2ccccc2)c(C#N)c1-c1cccs1 19852228 MSPPIOVXDIBSHP-UHFFFAOYSA-N 391.481 3.866 30 40 GHEB O=C1/C(=C\c2cnc(N3CCCC3)nc2)CC/C1=C\c1cccc([N+](=O)[O-])c1 71798844 NIILLLQHEVOGNF-VJTUXUFQSA-N 376.416 3.815 30 40 GHEB CCOC(=O)CC[C@@H]1CCCCN1C(=O)CCCCOc1cccc(C#N)c1 95437640 YYZWNIQDKRWTSN-IBGZPJMESA-N 386.492 3.832 30 40 GHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218405781 UDMMOBAGWUVIBG-FHWLQOOXSA-N 375.877 3.826 30 40 GHEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)cc1 224871899 GFKHFQWGONQLMA-UHFFFAOYSA-N 397.880 3.747 30 40 GHEB CC/C(=N/OC/C=C/Cl)C1=C(O)C[C@H](C[C@H](C)S(=O)(=O)CC)CC1=O 1569999064 GLOKEOJMCXNRJB-OZLMMQDQSA-N 391.917 3.526 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F 5027659 FZEFJKSBQQFTPR-MRXNPFEDSA-N 375.421 3.502 30 40 GHEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)O[C@@]2(C)C(C(C)=O)=CC[C@H]32)C1 5217700 RZDJJWQUCPCDTP-AOGMSAAYSA-N 388.504 3.992 30 40 GHEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC)C1 19498474 BFJFZRGFJKEXMP-DEOSSOPVSA-N 394.490 3.966 30 40 GHEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C(=O)O)cc1 35669338 ZDPGCURPUAQFCM-OUYOUGTCSA-N 398.440 3.723 30 40 GHEB CC[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 4940441 FFNJZZGPBUHMTG-AVBHYHMMSA-N 382.445 3.839 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1cccs1 625964 ARUASAPCMDUTAY-XHDPSFHLSA-N 375.471 3.567 30 40 GHEB O=C1c2ccccc2C(=O)N1/N=C/c1cccn1-c1ccc(Br)cc1 1102935 FSBDOCIHQPSISV-CIAFOILYSA-N 394.228 3.870 30 40 GHEB C=CCNC(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C 3839945 YBWUDGKRCMLWRB-XVFCTPOOSA-N 389.521 3.704 30 40 GHEB biogenic,in-vitro N#Cc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 4351084 XOBNGWXWRVNRGY-UHFFFAOYSA-N 384.391 3.585 30 40 GHEB C[C@@H](C#N)OC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 5882709 YTPZUHXQBSPEDA-ZDUSSCGKSA-N 382.420 3.621 30 40 GHEB C=CCOc1ccc(/C=N/NC2=NC(=O)[C@H](Cc3ccc(CC)cc3)S2)cc1 6450566 UQGYBHVMHMDBHC-VRMLFSPKSA-N 393.512 3.978 30 40 GHEB CCc1cccc(CC)c1/N=C1\NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1 12995508 MHNXHTCNCUCJEI-GOSISDBHSA-N 395.528 3.737 30 40 GHEB CC1(C)Cc2c(C#N)c(SCc3ccccc3)nc(N3CCNCC3)c2CO1 13682639 GHQBROWSFGQTSB-UHFFFAOYSA-N 394.544 3.506 30 40 GHEB C#CCOc1ccccc1/C=C1/NC(=S)N(Cc2ccccc2Cl)C1=O 14189123 UGMAVXTYEJLGFT-SFQUDFHCSA-N 382.872 3.610 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccc(O)cc2O)c([N+](=O)[O-])c1 16953758 MLHGXLBSSVHOAR-VZCXRCSSSA-N 394.343 3.779 30 40 GHEB CC(=O)c1cc(C#N)c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc1C 32741625 ASXHFSHCKBTFTF-LJQANCHMSA-N 379.485 3.920 30 40 GHEB CS(=O)(=O)N(Cc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 32899459 PTRVDWXUIZBNOW-UHFFFAOYSA-N 387.848 3.833 30 40 GHEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1 46084758 BMYALJJBGKWKEB-VZCXRCSSSA-N 383.404 3.889 30 40 GHEB C#CCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CCCCC1 58434797 VOYDAWLQRJYUKB-UHFFFAOYSA-N 385.485 3.662 30 40 GHEB Cc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c([N+](=O)[O-])c1 59250062 RIIUNOHNHRMABH-VCHYOVAHSA-N 394.225 3.846 30 40 GHEB COc1cc(Br)cc(/C=N\N=C(/S)Nc2ccccc2)c1O 83312457 DYJYZJWQAJGFTB-MFOYZWKCSA-N 380.267 3.895 30 40 GHEB CCCCCCCNS(=O)(=O)c1ccc(I)cc1 226855377 XMMMQRMMXGUCRE-UHFFFAOYSA-N 381.279 3.540 30 40 GHEB COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408731029 KBLKVFHXLFYQCA-NRFANRHFSA-N 380.444 3.833 30 40 GHEB Oc1cc(Cl)ccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408813128 FHBRKYKMNQIEGA-NVMNQCDNSA-N 385.645 3.988 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(C)cc2)C1=O 409053302 OEGFMUVHLZMJOU-LGMDPLHJSA-N 393.464 3.857 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)cc1C 409198028 UYNOJTQVSGWTHB-POHAHGRESA-N 389.386 3.729 30 40 GHEB CC1(C)OB(c2cn(COCC[Si](C)(C)C)c3ncc(F)cc23)OC1(C)C 613822605 XDEOYSOGIPAEEN-UHFFFAOYSA-N 392.356 3.787 30 40 GHEB COc1cc(/C=N/c2ccc(I)cc2)ccc1OC(C)=O 3191860 BJJZUNBGNPYDHK-VCHYOVAHSA-N 395.196 3.976 30 40 GHEB COc1cc(/C=N/n2cnnc2)ccc1OCCSc1ccc(Cl)cc1 4590405 ZDAXWAYDSZPLTF-SSDVNMTOSA-N 388.880 3.993 30 40 GHEB C=CCOc1ccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 5023721 KSBQVHUJCKXUPQ-OSZJIOELSA-N 388.427 3.760 30 40 GHEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Oc2ncn3nc(C)nc3c21 5347950 XOWSXIIWDQEUJG-KRWDZBQOSA-N 390.443 3.609 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCCC[C@H]1C 5476049 SGRBLLYRTVPNNU-IUODEOHRSA-N 395.297 3.793 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2ccccc2OCC)C1=O 7332316 NUFBLTVISISHSP-JXAWBTAJSA-N 379.412 3.912 30 40 GHEB CCCCCOc1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 9243936 HJPPRGHIXLSNGD-FYJGNVAPSA-N 396.520 3.897 30 40 GHEB COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 10039394 YZOZMIFRLMLHLS-LLVKDONJSA-N 385.514 3.880 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnc(N3CCCC3)n2C2CC2)c1C 11376886 VRDQDVHONBANNU-UHFFFAOYSA-N 385.537 3.793 30 40 GHEB C#CCOc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OCC 12330658 JKAYAXLDCXVVCK-UHFFFAOYSA-N 379.500 3.889 30 40 GHEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 20028888 MNGJLQLONYJMGD-QFIPXVFZSA-N 393.531 3.733 30 40 GHEB C=CCN(Cc1cccs1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 24569529 STFSLFWADSRDGL-UHFFFAOYSA-N 395.532 3.715 30 40 GHEB N#CC1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 57994668 PRQFMASTHMSYSY-UHFFFAOYSA-N 376.298 3.816 30 40 GHEB N#Cc1cccnc1Oc1ccc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1 61720268 MGCMHHSGXZZDRV-NZQKXSOJSA-N 382.423 3.670 30 40 GHEB COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)cc1OC 62001284 RYRKAFQPDPGELV-AWQFTUOYSA-N 393.439 3.943 30 40 GHEB biogenic N#Cc1cccc(CN2CC[C@]3(CCCN(CCOc4ccccc4)C3)C2)c1 96216285 MDKIETUKFRKCKZ-DEOSSOPVSA-N 375.516 3.925 30 40 GHEB CC/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 102960648 IKAKWXLLJSHSCL-KNZXMQTDSA-N 383.448 3.930 30 40 GHEB Cc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C 408740332 FPARMHFWTYAFHX-LKKXKRCMSA-N 385.876 3.723 30 40 GHEB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)cc1 409176046 XLNLVLBNTZEJFT-LICLKQGHSA-N 377.425 3.542 30 40 GHEB CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ncc21 953057895 WTJDRMFEKUBMKV-UHFFFAOYSA-N 378.665 3.772 30 40 GHEB CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(C)cc1 1857847 FIJSMUZTCZXTBY-UHFFFAOYSA-N 399.925 3.898 30 40 GHEB CCCCCCCC[C@H](C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O 104377859 YWJNGQZJZZJQAS-MRXNPFEDSA-N 381.494 3.513 30 40 GHEB N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12560993 ULYCXKZXCOLUSG-UHFFFAOYSA-N 384.486 3.569 30 40 GHEB CCCN1C(=O)/C(=N\OCC(=O)Nc2ccc(C(C)C)cc2)c2ccccc21 3317566 JBOHQOHXFDCETK-FLFQWRMESA-N 379.460 3.926 30 40 GHEB O=S(=O)(NNc1c(F)c(F)cc(F)c1F)c1cccc(C(F)(F)F)c1 3360612 IZJDYUXXNDMSRZ-UHFFFAOYSA-N 388.264 3.567 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 12846864 OCYKQKDYDNLOGC-UHFFFAOYSA-N 399.863 3.640 30 40 GHEB N#Cc1cc(C#N)c(S[C@@H](C(=O)NC2CCCCC2)c2ccccc2)nc1N 30831893 ZBWFDXBUGHMOHV-GOSISDBHSA-N 391.500 3.689 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)no1 5800489 JKXFAMAFOMJDIO-GOSISDBHSA-N 394.358 3.611 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCC=C)cc1 2503515 HCJIHNHRTVQHTI-IBGZPJMESA-N 398.484 3.631 30 40 GHEB CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1OC 4062103 LZMWNUDCDTUNNQ-HXUWFJFHSA-N 385.460 3.625 30 40 GHEB CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC)c2)o1 6954121 RLXHBICZDSASTE-KEBDBYFISA-N 379.869 3.595 30 40 GHEB Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)n2C)c(C#N)c1C 8332687 ULPACGVKBJVZOR-UHFFFAOYSA-N 383.502 3.763 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c1 8468002 CKLZDNGVTJCSKP-FQEVSTJZSA-N 396.462 3.582 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1 9013405 OOSMORQNNYHMDY-JBCNATCCSA-N 392.499 3.759 30 40 GHEB C=CCn1c(Cc2csc(NC(=O)c3cccc(F)c3)n2)n[nH]c1=S 12823864 REHZEYZEABAYQT-UHFFFAOYSA-N 375.454 3.565 30 40 GHEB CCOc1ccc(Br)cc1/C=N/NCc1ccc(OC)c(OC)c1 20196345 JQFAZIHBMBGTJI-CIAFOILYSA-N 393.281 3.989 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1C#N 32729918 WMAWNJIBWRJBRS-IBGZPJMESA-N 398.507 3.724 30 40 GHEB Cc1cc2nc(C)c(CCC(=O)Nc3sc4c(c3C#N)CCC4)c(C)n2n1 60949491 BDSBOEVQMLJYDL-UHFFFAOYSA-N 379.489 3.648 30 40 GHEB CCCCCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(C)ccc1=O 98045195 YXNIOYWSGWGRAT-FQEVSTJZSA-N 386.467 3.806 30 40 GHEB COc1cc(/C=N\O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100250200 YKHOIIFXCIILGF-IUXPMGMMSA-N 381.182 3.753 30 40 GHEB N#Cc1ccc(S(=O)(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 219358494 DJXZFGAUWJPIAU-GOSISDBHSA-N 394.468 3.705 30 40 GHEB N#C[C@]1(C(=O)O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242390147 AAMLPQFULJKIJD-UXLLHSPISA-N 396.251 3.528 30 40 GHEB CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732421 RFFOAMWOLDQIHK-MRXNPFEDSA-N 391.836 3.890 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1 5800529 XKEXMFBTIDBTKE-KRWDZBQOSA-N 396.424 3.836 30 40 GHEB O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\O)[C@H](O)c1ccc(Cl)cc1Cl 8653586 FTSMJSLJKOUTRA-IKMPRTQCSA-N 398.633 3.795 30 40 GHEB Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cc2ccccc2o1 10228045 ZEVJLPMTIDZCRN-UHFFFAOYSA-N 389.440 3.831 30 40 GHEB CCc1ccccc1/N=C1/S/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)N1C 18173756 IFPNHEKBMUGBPB-QLHXNQQISA-N 396.468 3.946 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)c1C#N 26985628 HAWLMNHOAIGZHW-CYBMUJFWSA-N 389.521 3.743 30 40 GHEB O=S(=O)(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1ccccc1 59417085 QIVGJEVLJHDPAU-KGENOOAVSA-N 392.440 3.777 30 40 GHEB CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(C(=O)O)cc1 138483734 KVIAADCXWKVPCJ-PXJVAEEZSA-N 383.385 3.527 30 40 GHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409295231 NTMRMNLCEQBLDZ-UHFFFAOYSA-N 385.265 3.734 30 40 GHEB Cc1nc2c([nH]c3ccc(Br)cc32)c(=O)n1/N=C/c1ccc(F)cc1 2223290 HILOPDYFFWIRPJ-ZVBGSRNCSA-N 399.223 3.970 30 40 GHEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 2352092 HEQLQHNMWPJCQT-JIIKEMMSSA-N 397.500 3.948 30 40 GHEB C#CCOc1ccc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1OCC 6960588 DNKZEZRUGQJCEM-QGZVFWFLSA-N 377.531 3.525 30 40 GHEB N#CCC(=O)Nc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 9613960 SHZSRQWGEDSZHU-UHFFFAOYSA-N 388.427 3.700 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2C)nc2ccsc2c1=O 9691191 KNEIFVUBKPOJAB-CQSZACIVSA-N 399.541 3.922 30 40 GHEB Oc1ccc(-c2cs/c(=N\C[C@H]3CCCO3)n2N=C2CCCCC2)c(O)c1 14489816 OVRGXKZKXYCNLL-MODMUFLJSA-N 387.505 3.876 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20391606 PIOOFMCNGNKFNN-LDVJMBRRSA-N 391.430 3.879 30 40 GHEB CC(C)[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)cc1 32795311 KNGFESKFOHDEBC-FQEVSTJZSA-N 397.910 3.836 30 40 GHEB N/C(=N\O)c1ccc2oc(/C=C/c3cc4cc(/C(N)=N/O)ccc4o3)cc2c1 33647706 IXRPBLVKQSXSGP-ONEGZZNKSA-N 376.372 3.538 30 40 GHEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1 46084754 FMEUSLOMRCAYQL-VZCXRCSSSA-N 383.404 3.745 30 40 GHEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)C1=Cc2cc(Cl)ccc2OC1 58150281 MBXVRLYJVIUCNL-UHFFFAOYSA-N 399.255 3.651 30 40 GHEB CCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 100004618 SMLACPIDZCZTCI-DEDYPNTBSA-N 385.445 3.933 30 40 GHEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102930414 ZPHUDLBFHYEPSW-HVESIFNPSA-N 391.814 3.756 30 40 GHEB O=C1CCCC2=C1C(c1cc(Br)ccc1O)C1=C(CCCC1=O)N2 409031186 GQEWJMUABIZVGW-UHFFFAOYSA-N 388.261 3.856 30 40 GHEB CCOc1ccccc1/C=C/C(=O)c1cc(Br)ccc(=O)c1O 4667475 ZASHVNBBZIKTAZ-VQHVLOKHSA-N 375.218 3.810 30 40 GHEB CC1=C/C(=N/N2CCOCC2)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 5160563 MTTBFVUQPVUQHG-QNEYSMKTSA-N 388.352 3.523 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccccc1OC 7759178 ZPMCDRHCJNFDLK-UHFFFAOYSA-N 393.443 3.511 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(-c2ccc(F)cc2)c1C 12627466 HCPYCMFWPWOMFB-UHFFFAOYSA-N 383.452 3.569 30 40 GHEB Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cn1 12847780 VXIKMVPTLWFXQP-UHFFFAOYSA-N 380.448 3.591 30 40 GHEB C=CCn1c(SCc2nc(CCC)no2)nc2sc3c(c2c1=O)CCC3 13002318 FGRVDFLUCJRZOY-UHFFFAOYSA-N 388.518 3.761 30 40 GHEB Cc1ccc2cc(C#N)c(NCCNC(=O)c3c(F)cccc3F)nc2c1C 35291928 ZCRTUMFGAQVBKD-UHFFFAOYSA-N 380.398 3.843 30 40 GHEB CN(C[C@H]1COc2ccccc2O1)/C(O)=N/c1nnc(-c2ccsc2)s1 52496431 WIXIMBNJZOBUDV-LBPRGKRZSA-N 388.474 3.584 30 40 GHEB Cc1[nH]c2cc([N+](=O)[O-])ccc2c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100506327 AXEDWNGCEPEHAB-CAOOACKPSA-N 384.308 3.647 30 40 GHEB O=C(C[n+]1csc2ccccc21)c1ccc(I)cc1 1595230 BDOVKIYRVPMZIP-UHFFFAOYSA-N 380.230 3.676 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccccn1 2265626 BQYCPYTWBXKPIO-UHFFFAOYSA-N 395.488 3.656 30 40 GHEB CC1=C/C(=C(\c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)O)C=CC1=O 4589716 DYXFNDRXWAWZBN-LTGZKZEYSA-N 382.437 3.834 30 40 GHEB N/C(=N\C(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 4601467 HJWUAQNNFVSXBJ-UHFFFAOYSA-N 389.299 3.643 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2cc1OC 4857875 HLKMFXHISAPSDL-BBRMVZONSA-N 399.516 3.911 30 40 GHEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1ccc(N(C)C)cc1 4889385 NHBUHMQPMQFPJT-JQVZWICHSA-N 380.517 3.915 30 40 GHEB O=C1C(O)=C(c2ccc(I)cc2)C(=O)c2ccccc21 5729647 XVKKNUBFBZVRRP-UHFFFAOYSA-N 376.149 3.640 30 40 GHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 5900963 PROWUKAGOLHNHA-WHJAWBAWSA-N 392.407 3.952 30 40 GHEB biogenic Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1-c1ccccc1 6110344 TXFBLJJADDODRY-UHFFFAOYSA-N 383.864 3.832 30 40 GHEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1F 7172104 DPSYXIVSFKZLMP-VIFPVBQESA-N 399.289 3.793 30 40 GHEB COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1 7939543 TYKONXHTYNLLIL-FPYGCLRLSA-N 376.792 3.717 30 40 GHEB Oc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c(O)c1 12468007 ACKDJCSJMWXJBQ-WSVATBPTSA-N 381.244 3.834 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC 19089049 YJIWEUQATQMWNQ-IBGZPJMESA-N 395.455 3.867 30 40 GHEB Cc1ccc(-n2nc(C)c3c(-c4ccc(O)c(O)c4)c(C#N)c(N)nc32)cc1C 20403690 VJDDUFADNSOPAU-UHFFFAOYSA-N 385.427 3.878 30 40 GHEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OCC(=O)O)c2)C(=O)N1C 38361079 NZRPZDJLQZMAIY-WBCKRXDOSA-N 396.468 3.946 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(O)cc1)c1cccs1 85409826 QCDKLAZDBFWRGU-AWEZNQCLSA-N 384.438 3.693 30 40 GHEB CC(C)(O)C#Cc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 100763731 OEMIUYBQDQEKRL-GOTSBHOMSA-N 393.502 3.963 30 40 GHEB C[C@H](NC(=O)CSc1nc2ccccc2n1CCC#N)[C@H]1C[C@H]2CC[C@H]1C2 104007785 CUOGOHMWFJWFDC-LUKYLMHMSA-N 382.533 3.983 30 40 GHEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)nc1 409092801 ZCWYWCMEXKHIID-KEBDBYFISA-N 380.320 3.531 30 40 GHEB CCOc1ccc2cc(/C=N/N3C(=O)[C@@H]4C=CC=C[C@@H]4N=C3C)c(Cl)nc2c1 1500786 XFXHYVCAKLRVTI-ZRNXJCNUSA-N 394.862 3.992 30 40 GHEB C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 6009080 MSUHZZIRIIPFGJ-MRXNPFEDSA-N 395.484 3.621 30 40 GHEB COc1ccccc1NC(=O)Cc1nc(COc2ccccc2C#N)cs1 6582602 HOMWUTABKCLIHD-UHFFFAOYSA-N 379.441 3.784 30 40 GHEB CCCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6937337 PENHJNMIMXLVNU-NSHDSACASA-N 389.550 3.785 30 40 GHEB C=CCn1c(C)nnc1SCCS(=O)(=O)c1cc(Cl)ccc1Cl 11382342 HJXFVHKZEHDNIR-UHFFFAOYSA-N 392.333 3.645 30 40 GHEB C#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 12862815 WJLOYXYKCBZEAZ-UHFFFAOYSA-N 384.414 3.649 30 40 GHEB O[C@]1(c2ccc(OC(F)F)cc2)CS/C(=N/c2cccnc2)N1C1CC1 13144918 XOWCQYKBGSEVFU-VJWQYWRGSA-N 377.416 3.727 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccccc1 17138066 NVKACLISHJFLBN-HXUWFJFHSA-N 395.455 3.618 30 40 GHEB Cc1cc(C)c2nc3c(cc2c1)CN(CCCO)/C(=N/C[C@@H]1CCCO1)S3 35314479 KPVCUSPESICMSO-ZREAOVPFSA-N 385.533 3.677 30 40 GHEB COCCCCN1C(=O)[C@H](Oc2ccc(C)cc2C)[C@H]1c1ccc(C#N)cc1 58157179 PBCORXPKOBXWSJ-FGZHOGPDSA-N 378.472 3.933 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 224977286 LOIQETFQBYTNHE-UHFFFAOYSA-N 391.514 3.967 30 40 GHEB COc1cc2c(cc1/C=N/c1ccccc1I)OCO2 409065715 KRJKTQOTIJRBAK-CAOOACKPSA-N 381.169 3.779 30 40 GHEB N#Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)c1N 65487473 BTRBITNBATXKRV-DLBZAZTESA-N 377.835 3.722 30 40 GHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)Cc1ccc(C(F)(F)F)cc1 6755798 KMXUAFJGYXFXGV-MFOYZWKCSA-N 375.346 3.733 30 40 GHEB C=CCn1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1ccncc1 6907627 SSPIOOKMEDZOKE-UHFFFAOYSA-N 376.485 3.990 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1c(Cl)cccc1Cl 7778704 USRHCCBANCLOBM-MRXNPFEDSA-N 389.304 3.683 30 40 GHEB COc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OC(F)F 36611495 QBPCAJRMYTWWPE-DJKKODMXSA-N 380.376 3.752 30 40 GHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 225092727 VBUPVJXZXZKCSQ-UHFFFAOYSA-N 388.445 3.849 30 40 GHEB COC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242548682 LTJKCXNQXUJMGF-IPMKNSEASA-N 375.877 3.745 30 40 GHEB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)c1 22121914 MWXNGHWTHLQLAT-ZDUSSCGKSA-N 397.500 3.887 30 40 GHEB CN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C1(C#N)CCCCC1 101028111 HDNMYBXCLDIVJZ-JZFKGDSASA-N 392.927 3.792 30 40 GHEB COc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)c([N+](=O)[O-])c1 4082492 RPAUNKYIKYUOGW-VXLYETTFSA-N 383.320 3.613 30 40 GHEB O=[N+]([O-])c1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(Br)c1 4380143 YWDHPRMYWVQDGB-OMCISZLKSA-N 394.137 3.745 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 5089782 WRNPLXMJVKUEFY-UHFFFAOYSA-N 395.415 3.750 30 40 GHEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1O[C@@H](C)C(=O)O 9260192 WOKIMBQUJQYNMW-PFRBSUFTSA-N 398.459 3.524 30 40 GHEB C[C@H]1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 13843657 ISDOPGIWFLNRHI-UZMFJHSZSA-N 386.907 3.615 30 40 GHEB COc1ccc(CN/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1OC 20195880 YMVGANCXMZORFQ-YDZHTSKRSA-N 380.400 3.786 30 40 GHEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 49006981 XBTWTVZSNUGQOY-UHFFFAOYSA-N 378.819 3.995 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C#N 58975162 KTQJFVFSAWAQMG-UHFFFAOYSA-N 384.480 3.688 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(Cl)ccc21 100875241 PICXPVMKGZFYAC-VZCXRCSSSA-N 384.844 3.502 30 40 GHEB CCOc1cc2c(cc1/C=C1/S/C(=N/c3ccc(F)cc3)NC1=O)OCO2 104107429 ZZGIUHSSBNNMOW-CAOOACKPSA-N 386.404 3.845 30 40 GHEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc(O)cc1 408754512 VORYVADPSBDWND-VGOFMYFVSA-N 375.793 3.845 30 40 GHEB C=CCn1c(SCC(=O)N(CC)c2ccccc2)nnc1-c1cccnc1 8471362 AEYQSZYAXWMOAD-UHFFFAOYSA-N 379.489 3.671 30 40 GHEB CC(=O)Oc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1 57531518 GVOUDAHRNIJOCW-LJQANCHMSA-N 398.484 3.631 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1cccnc1 35655252 GCWCMCMKHRDJNZ-UHFFFAOYSA-N 383.452 3.704 30 40 GHEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 53841402 LEZWIOIVILVRLT-MRXNPFEDSA-N 393.516 3.729 30 40 GHEB C=CCOc1ccccc1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 12913089 IREFACFUFWHTJG-HUUCEWRRSA-N 387.505 3.569 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)c2C)cc1 408589638 MIORZZAOSQQVJQ-JDBUDTDXSA-N 399.494 3.790 30 40 GHEB COc1cc(C#N)ccc1OCc1cc2c(cc1Br)OCCO2 6552771 BNKFTODONYORDS-UHFFFAOYSA-N 376.206 3.680 30 40 GHEB C/C(=N/c1cc(C)cc(C)c1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1 5749757 PBFNOSDIIXWECH-JWGURIENSA-N 393.940 3.917 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3cccs3)c(C#N)c2=O)cc1Cl 409193434 CMNNQUBDUOZARG-VOTSOKGWSA-N 397.843 3.996 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1cc(C)on1 8740963 IEXPPDQZYJHXTM-QGZVFWFLSA-N 396.424 3.836 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccccc1O 409147721 YTLBLKIQDXNCGW-WBIPWDCSSA-N 394.430 3.618 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1Cl 66088157 NMXGKHFFLFPTPA-HNNXBMFYSA-N 396.226 3.811 30 40 GHEB CC1CCN(C(=O)[C@@H]2CCCN(c3oc(-c4cccs4)nc3C#N)C2)CC1 41157771 CKEIXDYJAOQSAB-OAHLLOKOSA-N 384.505 3.750 30 40 GHEB CCOC(=O)/C(=C\n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1 5734028 GPYTZPJCWZTLOR-KAMYIIQDSA-N 397.412 3.894 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c1C 12599624 OUHHATXXNPUFGC-AWEZNQCLSA-N 392.550 3.708 30 40 GHEB C#CCOc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1 13994538 MXJJYPQIELANDL-OAQYLSRUSA-N 379.456 3.609 30 40 GHEB CC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O 16995617 ZUYSETILOAOKGJ-FDJFIASXSA-N 397.500 3.948 30 40 GHEB CCCC/N=C1\S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C(=O)N1CCCC 5552269 DZJQVTMCLDWIIP-BJVJUIIASA-N 399.516 3.822 30 40 GHEB CCOc1cc(C#N)cc(I)c1OCc1cccnc1 226321590 URKBTORYXRMVHA-UHFFFAOYSA-N 380.185 3.536 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccsc2c1=O 9691181 QTWQJQMLPVTGAB-ZDUSSCGKSA-N 385.514 3.614 30 40 GHEB N#Cc1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCCCC2 4079300 JZGLPYMRNVHTMO-UHFFFAOYSA-N 393.468 3.794 30 40 GHEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 820499 USAWICYEKMTHDM-FQEVSTJZSA-N 397.471 3.971 30 40 GHEB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 899112 WHRIDBHMFHMOQG-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB N#CCCN(C(=O)COC(=O)c1ccc(Br)cc1)c1ccccc1 3302565 DINRLZFEXOVLIY-UHFFFAOYSA-N 387.233 3.553 30 40 GHEB Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1 4287262 PEDVTQUWQTWTHQ-UHFFFAOYSA-N 389.893 3.799 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 5457863 UHHZVELHQSJJAH-AWEZNQCLSA-N 381.350 3.560 30 40 GHEB Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccs2)n(C[C@@H]2CCCO2)c1C 14124016 QFYBYPHVXBRGTB-ZBFHGGJFSA-N 386.521 3.506 30 40 GHEB Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccccc1F 47991977 GIGZTWDEUJEQLJ-UHFFFAOYSA-N 383.404 3.994 30 40 GHEB C=CCOc1ccc(CN2[C@H]3CC[C@H]2[C@@]2(C3)NC(=O)c3ccccc3N2)cc1 253376827 VCGNMNHCPNYYHN-JWNTYJGQSA-N 375.472 3.540 30 40 GHEB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2/C=[N+](\[O-])c2ccccc2)cc1 255187208 BWQLXAABUWXVAX-ZHZULCJRSA-N 398.396 3.623 30 40 GHEB CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2C#N)cc1 3324859 MMLGBJSZQRTNMT-UHFFFAOYSA-N 396.468 3.941 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)c1ccc2ncsc2c1 3417490 VMCBPHVOULWRGS-UHFFFAOYSA-N 383.454 3.707 30 40 GHEB CCOc1ccc2cc(/C=N/N3C(=O)[C@H]4C=CC=C[C@H]4N=C3C)c(Cl)nc2c1 4031491 XFXHYVCAKLRVTI-VXQPMKGYSA-N 394.862 3.992 30 40 GHEB N#Cc1ccc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc1 4193495 QPEALVTYTLMHHM-UHFFFAOYSA-N 377.407 3.631 30 40 GHEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccccc1 4717924 CUYCJFPTSKHURM-AUSJPIAWSA-N 395.480 3.542 30 40 GHEB COc1ccc2c(C)nc(NC(=N)/N=C(\C)c3ccccc3C(=O)O)nc2c1 4808254 JDXKSYFSSITHDY-SSDVNMTOSA-N 377.404 3.501 30 40 GHEB Cc1cccc(NC(=O)c2nc[nH]c2N/N=C(C#N)\C(O)=N\c2ccccc2)c1 5885421 XGKCYHGBECRAJD-QQXSKIMKSA-N 387.403 3.550 30 40 GHEB O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)c1ccccc1 6589532 RLCJUCGRSRHMSA-ZHACJKMWSA-N 377.318 3.783 30 40 GHEB C=CCOc1ccc(CN(C)[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 7266525 NWMJXKMQBRQNBX-MRXNPFEDSA-N 384.476 3.686 30 40 GHEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7307023 VLBGZUPUNCTUIO-HNNXBMFYSA-N 383.498 3.736 30 40 GHEB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2cccc(C#N)c2)N(C)C(=O)N1C 10353527 BNFPMXRCNUOEER-IBGZPJMESA-N 396.397 3.787 30 40 GHEB C=CCN1CCC[C@]2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc1O2 12365580 SRPPWEKQBOWFQF-QHCPKHFHSA-N 377.488 3.527 30 40 GHEB CC[C@H]1CO[C@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 12950927 QRPLSNGRSOEHCR-CABCVRRESA-N 375.538 3.717 30 40 GHEB C=CCn1c(SCc2nc(C(C)C)no2)nc2sc3c(c2c1=O)CCC3 12998871 DYGYIZZPWLTXPH-UHFFFAOYSA-N 388.518 3.931 30 40 GHEB CCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3OC)S2)cc1 17084640 RHYHQOLHFPQCAR-KRWDZBQOSA-N 383.473 3.506 30 40 GHEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC(=O)N1CCCC1 58245229 OAXYZGZVJSTPSU-OAHLLOKOSA-N 378.432 3.592 30 40 GHEB CCOc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OC(F)F 96400368 YBPJYOARZQHDQR-LCYFTJDESA-N 394.395 3.740 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cccc(OC)c21 100910412 ULAPPRRDOSTJTP-DQRAZIAOSA-N 380.469 3.873 30 40 GHEB CC1=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C(C)C1=O 101028282 RUAFNDYYSNQGJI-XTQSDGFTSA-N 378.453 3.738 30 40 GHEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccnc2)n2ncc(C#N)c2N1 101491803 GHNZBTKSWLJHEW-GOSISDBHSA-N 390.834 3.731 30 40 GHEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Br)cc1 224726287 GLKKCQRXLTXVCR-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1Cc1cccc(F)c1 225871058 FBIZGHQLHJEWFA-UHFFFAOYSA-N 393.441 3.595 30 40 GHEB N#C[C@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1 2438969 XUGUBUZSAXOTHX-SFHVURJKSA-N 386.455 3.971 30 40 GHEB CC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(CCCC(=O)O)[C@@H]1c1ccccc1 4190321 ZNWLLGJBWJPVMD-JOCHJYFZSA-N 392.455 3.698 30 40 GHEB COc1ccc2oc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)c(C)c2c1 4319253 IXMAYEJBPAQZHO-UHFFFAOYSA-N 384.432 3.592 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2C1=O 7987676 QIMCAUWDTWYYDF-UHFFFAOYSA-N 399.402 3.662 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 8837596 ACWBIOXSBZBGAL-CRAIPNDOSA-N 399.468 3.514 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(F)cc2)cc1 9332102 JRXPFABARVPBAL-YCRPNKLZSA-N 390.418 3.842 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccco1 19973784 YUDQKQQDBKCEPG-HXUWFJFHSA-N 396.487 3.898 30 40 GHEB C=CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 23081403 TXTARMFSJHKALD-QFIPXVFZSA-N 380.488 3.827 30 40 GHEB C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2c(s1)CCCC2 23174838 ZYVUYONINQSVGN-CQSZACIVSA-N 399.491 3.733 30 40 GHEB C=CCc1ccccc1OCc1ccc(C(=O)NCc2c(C)nn(C)c2C)o1 28239029 FNZCAZJBVLIHQR-UHFFFAOYSA-N 379.460 3.867 30 40 GHEB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 29206859 WCBORRGJJVMTNN-UHFFFAOYSA-N 381.478 3.804 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc([N+](=O)[O-])c1O 32831754 CAJQMQCFSSSXKB-RUDMXATFSA-N 399.403 3.735 30 40 GHEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)c1 409012433 KALGVFCBXCFYKB-JYQBEENSSA-N 391.807 3.738 30 40 GHEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4c(Cl)cccc4s3)C[C@H]2C1 2086867492 SAICAJGNXMJEBL-OKILXGFUSA-N 381.892 3.789 30 40 GHEB N#CCCN(C(=O)CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 2623594 JVQFIQZXVDVTGN-UHFFFAOYSA-N 388.449 3.976 30 40 GHEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c1C#N 5127554 CXOLTILXKGIIKD-KSEXSDGBSA-N 390.399 3.812 30 40 GHEB CCC1(CC)CC[C@H](C(=O)OC)/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5431681 QCBDMLPVBNZKRR-OGAOFSLMSA-N 378.385 3.660 30 40 GHEB Cc1nn(CC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)c(=O)c(C#N)c1C 7359751 XDRHOUISGDVKPL-UHFFFAOYSA-N 396.450 3.773 30 40 GHEB Cc1nn(CC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c(=O)c(C#N)c1C 7384742 XNTGPLYGYPMDIE-KRWDZBQOSA-N 388.471 3.642 30 40 GHEB C=CCN1CCC[C@]2(CC1)CN(C(=O)c1ccncc1)Cc1ccccc1O2 12365578 OTLKECJWWBWLEE-QHCPKHFHSA-N 377.488 3.527 30 40 GHEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)c1 12418362 UQVNQJZPQDYWQG-UHFFFAOYSA-N 378.457 3.546 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 20188617 QEVQEMAPMJNXQT-OAQYLSRUSA-N 392.499 3.997 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCCc2ccccc21 25098681 IYUWEZKVYUUNNS-OAQYLSRUSA-N 387.487 3.686 30 40 GHEB N#Cc1cnn(-c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)c1N 32932447 JFQFNSJJLYVPGJ-UHFFFAOYSA-N 396.454 3.939 30 40 GHEB CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1 35392845 OKYBKYYXQLERRF-LJQANCHMSA-N 399.516 3.680 30 40 GHEB Cc1oc(-c2cccs2)nc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 84053072 XNKGSDHVQQOITM-OAHLLOKOSA-N 393.424 3.546 30 40 GHEB Cn1c(N/N=C/c2ccccc2I)nc2ccccc21 408660451 PZORRODQPORFOR-LICLKQGHSA-N 376.201 3.624 30 40 GHEB CCCCN(CC)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 511635830 JLSNZXRKARPPOW-UHFFFAOYSA-N 391.519 3.542 30 40 GHEB C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2sc(C)c(C)c2c1=O 3222919 DCKQFQZQINRKIF-UHFFFAOYSA-N 393.578 3.998 30 40 GHEB Cc1nnc(Sc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)c(C#N)c1C 12528027 RKYBDVLNEJCJON-QMMMGPOBSA-N 382.518 3.828 30 40 GHEB C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O 100975218 HSMNPLTXEDGFTO-YFUPBZDXSA-N 386.926 3.681 30 40 GHEB Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCC2)c1 2428586 GDJMDNKIUMOLIR-IBGZPJMESA-N 392.484 3.577 30 40 GHEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1 65590004 UUFAFQZLGCEDGO-UHFFFAOYSA-N 386.498 3.759 30 40 GHEB COc1ccc(CN/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 20195876 PUKGNDCTZULFCG-LPYMAVHISA-N 381.388 3.996 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(F)c(Cl)c3)C(=O)NC2=S)cc1 408756308 RGNMXGMEWLYTGH-OGTYSZTOSA-N 389.839 3.554 30 40 GHEB CCc1ccc(-c2nnc(N3Cc4ccc(C#N)cc4C3)n2C[C@H]2CCOC2)cc1 594480836 VRDLSIGQCVJLMY-LJQANCHMSA-N 399.498 3.936 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N/c1cccc(F)c1 100263312 RCBOCJCXFBQIMZ-GALDBLJUSA-N 375.400 3.555 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](CCC)C(=O)O)C1=O 5373751 NFSZRSHHXQDTKQ-WZMONFQBSA-N 377.487 3.706 30 40 GHEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 100918862 MSSPDEHKDPSLJC-UNEBPCJRSA-N 391.537 3.924 30 40 GHEB COc1ccccc1N/N=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4175356 BSAHWMPMSRLFOB-OEAKJJBVSA-N 378.413 3.887 30 40 GHEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 4488255 LGGXSBPTFSUJCZ-JEOXALJRSA-N 382.370 3.873 30 40 GHEB CCOc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 4503586 YTCJXQAWLNDTPR-SSDVNMTOSA-N 383.473 3.626 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)c1ccco1 5388064 NIGWSYWFSLZJBT-OCKHKDLRSA-N 376.320 3.844 30 40 GHEB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=S)NC(C)C 6279784 QDZMAQGVIREULQ-UFWORHAWSA-N 384.336 3.753 30 40 GHEB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1 14233884 VIMKOXNDFGQIRM-UHFFFAOYSA-N 376.441 3.570 30 40 GHEB CCn1cc(/C=C2\Oc3cc(OCC(=O)OC)ccc3C2=O)c2ccccc21 28182585 MYGIBUVOJKCJOB-JMIUGGIZSA-N 377.396 3.829 30 40 GHEB Cc1cc(N/N=C\c2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 30718997 HZCUSYUUMGSVCS-GRSHGNNSSA-N 385.269 3.796 30 40 GHEB Cc1ccc(-c2nnc(CCC(=O)N[C@H](C#N)c3ccc(F)cc3F)o2)cc1 68401893 FZPWXMOWYXTJCK-QGZVFWFLSA-N 382.370 3.637 30 40 GHEB C[C@H](/C(O)=N/c1ccccc1OC(F)F)N(C)CC(=O)Nc1ccc(F)cc1 82108695 UEGFCQAEGFCASL-GFCCVEGCSA-N 395.381 3.974 30 40 GHEB COC(=O)[C@@H](c1cccc(Br)c1)c1ccc([N+](=O)[O-])c(C#N)c1 169800430 PGHVZJVXPJEJTK-HNNXBMFYSA-N 375.178 3.534 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)OCCCC)C1=O 408527436 DMKIYNKAVWUMNC-VBKFSLOCSA-N 375.446 3.631 30 40 GHEB C/N=C1/S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)N1C 408929040 GOZREVYJSCMWKC-FYQLEFRXSA-N 397.500 3.721 30 40 GHEB N#CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 1093931 RAKWDQWMBUADHW-ZQFKLAOWSA-N 390.442 3.757 30 40 GHEB N#Cc1c(-c2ccccc2Cl)c(-c2ccccc2Cl)nn(CCO)c1=O 1585092 OBHKGLRTZUIUQY-UHFFFAOYSA-N 386.238 3.748 30 40 GHEB CNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc12 4545041 LZUWMNUDDIZVHD-WSDLNYQXSA-N 394.456 3.755 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(O)c(/N=C/c2ccc3ncccc3c2)c1 4869049 MTEZDCJDDHQSRX-HYARGMPZSA-N 383.473 3.722 30 40 GHEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(-c2cccs2)o1 4961295 GOCOVMQHMUYFCO-UHFFFAOYSA-N 392.487 3.782 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C2/Nc3ccccc3[C@H](c3ccccc3)N2)cc1 5588012 QYNUTHJHYAGNCD-FQEVSTJZSA-N 377.469 3.844 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 6167875 RZBONVFTQSIPER-SXFBWKAHSA-N 398.509 3.842 30 40 GHEB CCCN[C@H](c1ccc(/C=N/C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 6380521 IVFCNXGJTASRQM-WPZNHYQYSA-N 395.758 3.650 30 40 GHEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2sccc2C#N)n1 7988255 SJUHGOHJMNOHSD-UHFFFAOYSA-N 382.392 3.944 30 40 GHEB O=S(=O)(c1ccccc1)N1CCC[C@H](/C(O)=N/c2cccc3ncccc23)C1 9341959 HBLXNQMPDSMODH-INIZCTEOSA-N 395.484 3.924 30 40 GHEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCCC3)cc1 13685900 NFSIEAUVEIRYMY-UHFFFAOYSA-N 377.464 3.679 30 40 GHEB COC1=C[C@]23C[C@H](C[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]2C)OC3=CC1=O 16942866 JXWKCIXVIBYKKR-IRJBIMHASA-N 386.444 3.608 30 40 GHEB biogenic C=CCc1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccc(C)cc2)CC1 23212018 KZGLPIZNAHLYQO-HSZRJFAPSA-N 380.532 3.594 30 40 GHEB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)cc1 24865956 SEBONRMHEFEYQM-UHFFFAOYSA-N 378.453 3.962 30 40 GHEB CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)c1ccc(C)s1)=C2 48529210 BJDFRDFCWRKIEW-UHFFFAOYSA-N 379.459 3.576 30 40 GHEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(C2CCCCC2)C1=O 100975070 NUGIAONNPNZEHS-VRTBNJGNSA-N 380.535 3.726 30 40 GHEB C=CCc1cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1OC 216945614 OFWIYYIHBHJYIT-UHFFFAOYSA-N 394.515 3.827 30 40 GHEB C=CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224064509 PLYGSFQZUXBNLQ-UHFFFAOYSA-N 385.272 3.710 30 40 GHEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677581 JSEQIHISIGZCRU-UHFFFAOYSA-N 393.399 3.842 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 408962334 HMPJFBUVBDLYDP-HDTIWSQQSA-N 399.428 3.551 30 40 GHEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2nc(C)cs2)cc1 409061217 YBEBGHBDVBHZQS-YBFXNURJSA-N 387.486 3.974 30 40 GHEB C=CCOC(=O)c1c(N)n(-c2ccccc2OCC)c2nc3ccccc3nc12 2219884 UELFZZAPQSNUGK-UHFFFAOYSA-N 388.427 3.897 30 40 GHEB N#CCCN(CCC#N)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1 3183193 AWOYWMQESODUTR-UHFFFAOYSA-N 396.497 3.781 30 40 GHEB CCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(OC)cc2)cc1 4871809 XVWDBFQDANSBSI-KJPDKSBHSA-N 383.473 3.559 30 40 GHEB N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)sc2c(O)cc(=O)[nH]c12 4945437 DVVHFDLZYUCAFG-UHFFFAOYSA-N 391.861 3.551 30 40 GHEB C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)NC1(C#N)CCCCC1 9023184 NXINSCRLYBGHNJ-INIZCTEOSA-N 395.459 3.780 30 40 GHEB COc1ccccc1/C=C1\Oc2c(ccc3c2CN(C[C@@H]2CCCO2)CO3)C1=O 13691785 REIFKPCIKBPVCS-SJJOQSKNSA-N 393.439 3.642 30 40 GHEB CCC(CC)c1nc(C#N)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1 27460158 QDNOLEQARCEYJP-UHFFFAOYSA-N 382.464 3.501 30 40 GHEB Cc1cnn(CCN(Cc2ccc(C#N)cc2F)Cc2ccc(C#N)cc2F)c1 70011637 DVDDSCZLKMYYCE-UHFFFAOYSA-N 391.425 3.915 30 40 GHEB CN(Cc1ccccc1)[C@H]1COC2(CCN(Cc3cccc(C#N)c3)CC2)C1 96220985 IRUQVQMZOFHXQJ-HSZRJFAPSA-N 375.516 3.814 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2ccc(F)cc2)no1 102802820 HFWWQJGIZOMCOZ-HVESIFNPSA-N 382.347 3.650 30 40 GHEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)s1 223091700 HFRNMNOSJZKDLG-UHFFFAOYSA-N 392.525 3.806 30 40 GHEB COc1cccc(CN2CCC[C@]3(COCCN(c4cccc(C#N)c4)C3)C2)c1 1203822093 DIXASNGJRYUYEN-DEOSSOPVSA-N 391.515 3.686 30 40 GHEB COc1cccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)c1 933873 IHEOMWUVMRKSLJ-UHFFFAOYSA-N 379.441 3.854 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(O)=NC1=S 1203181 AZEKNKLBSDLZJZ-XNTDXEJSSA-N 397.412 3.816 30 40 GHEB O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)CO/N=C/c1ccccc1 3170795 ZJERHAURSIOVLG-BUVRLJJBSA-N 388.423 3.969 30 40 GHEB O=C1C=C(/C=C/c2cccs2)C[C@H](c2cccs2)[C@H]1n1nnc([N+](=O)[O-])n1 4473771 XXWORPTXWIPYSW-GBYQGRNTSA-N 399.457 3.642 30 40 GHEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccccc1)NC(=O)C[C@H]2c1ccsc1 4742205 FKCXGFICNWZYQF-GQIGUUNPSA-N 395.480 3.542 30 40 GHEB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 5616264 DYRFGEGLLBVUKQ-CYBMUJFWSA-N 384.819 3.745 30 40 GHEB Cc1ccc(N2C(=O)CC[C@H](C(=O)/N=C3\NCCS3)[C@@H]2c2cccs2)cc1 69482989 ISQZEHZRHRAVEC-MAUKXSAKSA-N 399.541 3.760 30 40 GHEB CC[C@H](CO)NC(Cc1cccc2ccccc12)=C1C(=O)CC(C)(C)CC1=O 100138430 BFRRJQJJLJNTGE-GOSISDBHSA-N 379.500 3.955 30 40 GHEB Cn1nnnc1N/N=C(/N=N/c1ccc(Br)cc1)c1ccccc1 101063719 JAYRCKZFASWRGP-HRAPWWCTSA-N 385.229 3.530 30 40 GHEB C[C@@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2)C[C@H]2[C@@]3(C)CC[C@@]2([C@@H](C)C(=O)O)C(=O)[C@@H]13 104200108 AWVZNWWDGGUAQE-QJFGWICXSA-N 399.447 3.725 30 40 GHEB Cc1cc2c(cc1/C=C1/S/C(=N\c3cccc(C(=O)O)c3)N(C)C1=O)OCO2 409061351 DGIMUOVWKDREJZ-SUZTUZHYSA-N 396.424 3.656 30 40 GHEB N#C[C@@]1(F)CCN(C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)C1 615591790 KMDNOIBKSIJASW-NRFANRHFSA-N 387.405 3.766 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C2=CC[C@@H]3C[C@@H]2C3(C)C)nc1 102948050 UKVQWEAYZWLGKF-LLAWBURQSA-N 376.526 3.502 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccc(-c2ccc(Cl)cc2)o1 100201466 BNGCXIRZEOVYLM-HUUVAAMKSA-N 392.842 3.987 30 40 GHEB CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc(OC)c(OC)c1 2260918 DQEKOZLEFRHNAC-SDLDRHLBSA-N 382.551 3.872 30 40 GHEB C=CCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 2247224 VGWFORNVARHFJP-UHFFFAOYSA-N 391.862 3.936 30 40 GHEB CC(C)[C@H]1SC(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)=NC1=O 3671387 COFYSWDZSXSLNO-NMONLQQWSA-N 385.464 3.982 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 5619015 RPBPQMNABUSJAR-CQSZACIVSA-N 395.484 3.748 30 40 GHEB C=CCn1c(SCC(=O)NC[C@H](C)c2ccccc2)nnc1-c1ccncc1 6907651 NJAARAMFCUOSDM-INIZCTEOSA-N 393.516 3.538 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1sccc1C 409297777 XLUBCUVJKATUTO-UHFFFAOYSA-N 376.279 3.974 30 40 GHEB COc1ccc(/N=C2\NC(=S)N(C)C23C2CC4CC(C2)CC3C4)cc1OC 35622316 ATPDVCPDKOIFCC-UHFFFAOYSA-N 385.533 3.749 30 40 GHEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 32503445 BOTZEMOULBPEAR-YTLYVFJMSA-N 394.562 3.602 30 40 GHEB N#Cc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 35425734 XZOBVBRVZLABLD-IBGZPJMESA-N 397.442 3.526 30 40 GHEB biogenic,in-vitro C(=N\NC(=N/N=C/c1cccs1)N/N=C/c1cccs1)\c1cccs1 73057811 QDSXVYQCPUYZEZ-VOAROJNQSA-N 386.531 3.808 30 40 GHEB CC(=O)C(C(C)=O)=C1SC2=C(C(=O)c3ccccc3C2=O)N1c1ccccc1 68571769 OJXSNGKWBWQYHJ-UHFFFAOYSA-N 389.432 3.920 30 40 GHEB biogenic C=CCOc1c(CN2CCC(O)(c3ccccc3OC)CC2)cccc1OC 12344870 UZTGKXXMTMGVQZ-UHFFFAOYSA-N 383.488 3.752 30 40 GHEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1ccnc1 169804816 VSDKHPMOMCKIHR-UHFFFAOYSA-N 394.140 3.971 30 40 GHEB N#Cc1cnc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c(Cl)c1 1889125126 CLPFURPPYKUKBB-IUODEOHRSA-N 393.800 3.736 30 40 GHEB COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc(C#N)cc3)sc2c1 16851072 UMWBTQLUXQGBQE-UHFFFAOYSA-N 389.440 3.923 30 40 GHEB CC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C 6588627 ADHLLQPUDJNBOZ-UHFFFAOYSA-N 398.469 3.912 30 40 GHEB Oc1ccc(Br)cc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 945582 FMEGNWHPMLOVAM-UDWIEESQSA-N 394.700 3.964 30 40 GHEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3298581 KIMRNAPUQLRVRW-UHFFFAOYSA-N 380.385 3.607 30 40 GHEB C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CO[C@@](C)(CC)C4 2295248 NTICGVCKUQRSCL-SFHVURJKSA-N 390.534 3.552 30 40 GHEB N#Cc1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2c1CCCC2 5973127 JGGHEQGVQYEWLJ-UHFFFAOYSA-N 378.457 3.620 30 40 GHEB COc1ccc(Cc2nnc(/N=C(\O)c3cc(=O)[nH]c4ccccc34)s2)cc1 31807003 DWCMKRIEORCXRR-UHFFFAOYSA-N 392.440 3.615 30 40 GHEB C=CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cccc(C)c21 100909586 BYVUDGMIXINWAG-DQRAZIAOSA-N 398.484 3.964 30 40 GHEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccc(Cl)cc2)n1 4595449 OPVNTKKKFBRBOW-LPYMAVHISA-N 381.871 3.649 30 40 GHEB N#Cc1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1 4778850 IDEDFQLTIRMLRN-UHFFFAOYSA-N 385.423 3.878 30 40 GHEB C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 9938747 MTRSYOOTOIGMPJ-MRXNPFEDSA-N 391.450 3.929 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCO)Cc4ccccc4)[C@H]3C[C@@H]12 12653642 CCZWGDIGLXBWNJ-KQWJERSKSA-N 383.532 3.795 30 40 GHEB biogenic O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(C#Cc2cccs2)c1 13002910 AFDGXUQQXOKPSB-UHFFFAOYSA-N 399.475 3.956 30 40 GHEB COc1cccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1OC 16039489 IJYGJKUWMLXRCG-BHDDXSALSA-N 399.450 3.694 30 40 GHEB CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1Br 20196704 VRPHWSZWYJERTB-RGVLZGJSSA-N 393.281 3.989 30 40 GHEB C=CCn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1ccc(O)cc1 20731315 WPFZZIGUALRILC-SFHVURJKSA-N 392.484 3.882 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1 102804133 NZMJWTIECLRVGJ-LFVOPCPISA-N 390.395 3.623 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1O 1531385302 VJQFWRMHPYKGDY-LPYMAVHISA-N 386.367 3.560 30 40 GHEB N#Cc1cnc(N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)c(Cl)c1 1889125125 CLPFURPPYKUKBB-DOMZBBRYSA-N 393.800 3.736 30 40 GHEB C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 4848499 FZYKDIBQGZDWPI-INIZCTEOSA-N 384.863 3.574 30 40 GHEB COCCn1c(SCc2cccc(C#N)c2)nc2sc3c(c2c1=O)CCC3 5430053 HRLCBOLZBJWBLQ-UHFFFAOYSA-N 397.525 3.757 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 9110441 RILIGZFBHDHGEB-HXUWFJFHSA-N 393.439 3.777 30 40 GHEB C#CCOc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)c1 12329033 XSUCPPCXDCXLES-SVGJNIJCSA-N 377.484 3.722 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3cccc4ccccc34)C(=O)NC2=S)cc1 16292816 VSNJYYYCZCJXAQ-QRAWFLTRSA-N 387.464 3.915 30 40 GHEB N#Cc1ccc(CN(Cn2nc3ccccn3c2=S)CC(F)(F)F)cc1 40118699 SMTRDQNGKHMJQS-UHFFFAOYSA-N 377.395 3.759 30 40 GHEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1 59186161 OZAILTWKKCPTEU-BOPFTXTBSA-N 399.428 3.894 30 40 GHEB COc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 62580324 USYQJDLTVUVLSK-SFHVURJKSA-N 383.879 3.866 30 40 GHEB CC(C)N(CCCSCC#N)C[C@H]1CCCN(CCCSCC#N)C1 95979976 XNRUGOYRQCCMBK-IBGZPJMESA-N 382.643 3.703 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)cc1C 197609727 VVBJENCHXOZIPJ-IBGZPJMESA-N 375.424 3.745 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224875982 LTLRJNJUYNXHNM-INIZCTEOSA-N 378.472 3.887 30 40 GHEB COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548840 LVVBPJUYLQELHU-KZNAEPCWSA-N 379.840 3.575 30 40 GHEB N#Cc1cccc(CN2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)c1 306142449 WZLRZRWTRXWEHQ-YADHBBJMSA-N 381.483 3.732 30 40 GHEB C=CCOc1cc(Br)c(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929620 LTKRXUVEFODRQF-XUVFPMAOSA-N 397.294 3.554 30 40 GHEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)C1CC1 4677151 YRVXRHUPNZTFTN-LLVKDONJSA-N 378.288 3.552 30 40 GHEB C=CCN(C(=O)c1ccco1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 9112825 YIWASEXHGRFUKR-UHFFFAOYSA-N 388.470 3.639 30 40 GHEB C[C@@H]1CC[C@H]2[C@@H](CN3CCc4ccccc4C3)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13 12862226 LDYXBXJFQRMXDU-BKAUZXKHSA-N 381.516 3.570 30 40 GHEB biogenic C=CCN(Cc1cccs1)C(=O)NCCNC(=O)c1ccc(Cl)cc1 40071913 ZOICDBYNZJNSEU-UHFFFAOYSA-N 377.897 3.529 30 40 GHEB N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 79105279 HBKUVIQFFLAMHI-UHFFFAOYSA-N 380.448 3.900 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(O)cc1 100298750 ORHZVQQGVBNWOZ-MBOBHEEDSA-N 381.457 3.539 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)S2)cc1 408999212 TWNDHDASMICPFK-BOPFTXTBSA-N 398.444 3.561 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C)s1 409286592 YYYBQSRATIALMW-UHFFFAOYSA-N 376.279 3.974 30 40 GHEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)c1 409333616 UTOAMWJHWPYRND-XDUBLRSXSA-N 375.446 3.629 30 40 GHEB CCCCc1ccc(-c2csc(NC(=O)[C@@H](C)n3cnc(C#N)n3)n2)cc1 538403874 FWUPKLHBIGRLRU-CYBMUJFWSA-N 380.477 3.816 30 40 GHEB O=C1Oc2ccccc2C(=O)/C1=C\NCCCCCc1nc2ccccc2[nH]1 1547200950 PFVDOTDVWGZLHZ-JQIJEIRASA-N 375.428 3.551 30 40 GHEB N#Cc1ccnc(OCC2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)c1 1775996289 QSNVTXAYUXYRRM-UHFFFAOYSA-N 387.842 3.606 30 40 GHEB CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)ccc1O 796533 KZNQGSYITKTACO-IBGZPJMESA-N 391.423 3.532 30 40 GHEB C=CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2sc(CC)cc2c1=O 3364072 HEJLRXRCEDMRIK-ZDUSSCGKSA-N 391.562 3.557 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 4606970 STQJJBNIZAJSGG-SFHVURJKSA-N 390.351 3.971 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2F)cc1 5446200 XLGBDACGNAXWRX-OXJNMPFZSA-N 395.430 3.891 30 40 GHEB O=C1C(=O)N(c2ccccn2)[C@H](c2cccnc2)/C1=C(O)/C=C/c1ccccc1 6813824 IPAYMLVTMYUGJD-WAXHHCKPSA-N 383.407 3.659 30 40 GHEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1 6869732 ZROLUVMKUYBPQV-PDGQHHTCSA-N 383.473 3.836 30 40 GHEB CCN(Cc1ccc(Br)s1)C(=O)COc1ccccc1C#N 14236466 FVTPUJPSXDNTHL-UHFFFAOYSA-N 379.279 3.810 30 40 GHEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cncc(Br)c1 23881474 DLRAMPASPMPOOO-UHFFFAOYSA-N 378.229 3.891 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)ccc2c1=O 105872818 WGCWDHCPEJNUCK-WSMBLCCSSA-N 383.517 3.800 30 40 GHEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1Cl 408537533 WAYKIXMLBAJHAH-JOXOIDLHSA-N 394.258 3.579 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2sc(C)cc2c1=O 784839 BDABKDBONFFICR-UHFFFAOYSA-N 389.477 3.822 30 40 GHEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCc2ccccc21)OCO3 1355126 DYBBVSFOLRVOLI-UHFFFAOYSA-N 389.436 3.517 30 40 GHEB C[C@]1(Cl)C(=O)C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)[C@@]1(C)Cl 103974605 KIIBTDLCWOAIKI-MZUABYDGSA-N 380.680 3.517 30 40 GHEB O/C(CN1CCN(c2ccccc2)CC1)=N\c1nnc(-c2ccccc2)s1 20142499 IEZNQTVXNKLGKY-UHFFFAOYSA-N 379.489 3.615 30 40 GHEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(O)cc1 12649911 HYRRFLKWLZUUPI-HNRAKDTKSA-N 375.400 3.936 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N/c1nccs1 100971759 GITRFHPWQHJOKI-SHUBJWRZSA-N 375.450 3.673 30 40 GHEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 3374320 LMBTXMSDHIYDHF-CYBMUJFWSA-N 377.425 3.866 30 40 GHEB N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1 3346469 XGIQZXRCOKTXRC-UHFFFAOYSA-N 392.436 3.994 30 40 GHEB CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 59772075 RVJREFVRUZMQBQ-BJMVGYQFSA-N 390.848 3.589 30 40 GHEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408719575 WXRPQEREGZQUCX-SFHVURJKSA-N 397.412 3.704 30 40 GHEB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1C#N 408820147 UGZSSYFVKIESSG-ZDLGFXPLSA-N 380.425 3.812 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(C)c1 4663804 MEWXSJQHTOBADI-IBGZPJMESA-N 375.424 3.745 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408938801 RPNBGDDFPIHCPP-BOPFTXTBSA-N 382.803 3.571 30 40 GHEB C=CCCO[C@H](C)C(=O)N1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 66319813 MEMRTZIWYVZAMA-MSOLQXFVSA-N 382.545 3.852 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)c2C)c1 408589532 LPRGNECHHPORGB-DXKXHECNSA-N 387.483 3.934 30 40 GHEB C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 8654654 AAZMTRDZSYCAIM-LBPRGKRZSA-N 394.431 3.567 30 40 GHEB CN(Cc1cc(Br)cs1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 83862036 WUQIKIATYXNALM-INIZCTEOSA-N 390.306 3.620 30 40 GHEB C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[S@](=O)C1 556788483 HLSKDXJPSBRAJN-RXAIFQJESA-N 383.473 3.583 30 40 GHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223200924 PTEPNIOTDHORRH-OAQYLSRUSA-N 382.479 3.724 30 40 GHEB N#Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)c1N 65487475 BTRBITNBATXKRV-IAGOWNOFSA-N 377.835 3.722 30 40 GHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)c(C)n1 5674709 CMUXDONAGCQZSA-PEDMWEOFSA-N 385.537 3.974 30 40 GHEB C=CCOc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(OC)nn1 32104157 ZZNDMSIJSLOAHD-OAHLLOKOSA-N 391.431 3.668 30 40 GHEB N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 663302 ZUNCVCXRYKEVJB-UHFFFAOYSA-N 380.498 3.595 30 40 GHEB aggregator N#Cc1c(C(F)(F)F)cc(Cc2ccccc2)nc1SCC(=O)NC1CC1 664847 IXCLKPXQOMNKAS-UHFFFAOYSA-N 391.418 3.934 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@@]1(C)Oc1ccccc12 2137289 IBEMTEADOXCYPF-GREBRCKQSA-N 376.456 3.860 30 40 GHEB biogenic Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)O)cc1 5446321 QOTFBGHLMQGEAQ-GHNGSUTGSA-N 399.830 3.545 30 40 GHEB COc1ccccc1CCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 7429263 BJHAQAHXDQGLGI-UHFFFAOYSA-N 398.484 3.622 30 40 GHEB COc1ccc(CCN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OC 30778835 RRAZCTLMCGYNBI-UHFFFAOYSA-N 393.443 3.582 30 40 GHEB CC(C)(C)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 40134270 JVHWVKKZAWRPGA-HXUWFJFHSA-N 398.528 3.767 30 40 GHEB C[C@@H](O/N=C(/N)c1ccc(N2CCCCC2)nc1)c1nnc(-c2ccccc2)o1 72311205 QZBQNGLJPCSWMU-OAHLLOKOSA-N 392.463 3.520 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2ccccc2F)no1 102535562 LFURUGFXUXAXQS-GROYHEBESA-N 382.347 3.650 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)CSc3nnc4ccccn34)c2C#N)C1 710249 NJPMXJOVPCOQJK-NSHDSACASA-N 383.502 3.518 30 40 GHEB Cc1ccccc1OCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N 871983 GIZVKBWVBTZSLY-UHFFFAOYSA-N 397.500 3.880 30 40 GHEB COc1ccc2c(c1)c(/C=C1\S/C(=N\c3cccnc3)NC1=O)c(C)n2C 8990517 ZIDYJZDPEXSHJJ-ZDLGFXPLSA-N 378.457 3.782 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)c2C)cc1 408585990 ACRUSCYKDYSMTL-OFMHDUHASA-N 387.483 3.934 30 40 GHEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn23)c(O)c([N+](=O)[O-])c1 408721129 LBFUZRYZHMEMRR-VXLYETTFSA-N 393.315 3.867 30 40 GHEB N#C[C@@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cn1 48829834 IREHUEXOFZBXNZ-CQSZACIVSA-N 375.306 3.547 30 40 GHEB O=[N+]([O-])c1cccc(O/C(O)=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)c1 68569565 QFHYMIMIMABBIF-UHFFFAOYSA-N 382.672 3.689 30 40 GHEB biogenic C=CCc1cccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1O 19016136 GSMLUUQUTSQDJF-GHTZIAJQSA-N 376.504 3.773 30 40 GHEB O=[N+]([O-])c1cccc(-n2cccc2/C=N/c2ccc(N3CCOCC3)cc2)c1 5338072 QUFVPHFNUULABA-CJLVFECKSA-N 376.416 3.973 30 40 GHEB O=S(=O)(c1ccc(N/N=C/c2cccc3ccccc23)nc1)N1CCCCC1 6787120 VQPXRSCESOAICC-HZHRSRAPSA-N 394.500 3.855 30 40 GHEB COCCNc1nc(Nc2ccccc2OC)c(C#N)c2c1COC(C)(C)C2 20649070 AYWCOTARUOFEKM-UHFFFAOYSA-N 382.464 3.615 30 40 GHEB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 847276 YAHNWFREONALKD-LJQANCHMSA-N 385.460 3.568 30 40 GHEB COc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c1OC 12662794 KSVUQCSOFNHEBI-GRSHGNNSSA-N 398.411 3.650 30 40 GHEB biogenic C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(F)cc1 2428660 AHEMGHIBKSTEQP-BRJLIKDPSA-N 398.401 3.502 30 40 GHEB C=CCOC(=O)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 4340106 UDVMGXRICNZHCQ-UHFFFAOYSA-N 380.396 3.885 30 40 GHEB biogenic CN(C)CCCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 6719330 FAOKLJHROQZYIZ-UHFFFAOYSA-N 379.508 3.912 30 40 GHEB COc1ccccc1/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408867968 MQLBHCQOQXAKSA-YDZHTSKRSA-N 391.427 3.602 30 40 GHEB Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200641 BTHWJZMYYVXPRQ-DIFFPNOSSA-N 397.891 3.991 30 40 GHEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1O 408943996 TVXVJAGUIQWFIY-IUXPMGMMSA-N 380.744 3.707 30 40 GHEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1)N1CCOCC1 409233508 KXAOVZPBAFHUAU-UUYOSTAYSA-N 393.270 3.982 30 40 GHEB O=S(=O)(/N=C(\O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 42249509 IGWSCKOFFVXOOD-UHFFFAOYSA-N 376.453 3.505 30 40 GHEB C=C(C)CN1CCN(c2nc(CCCC)c3c(c2C#N)CC(C)(C)OC3)CC1 95473221 QWHYGFVSGIUNIQ-UHFFFAOYSA-N 382.552 3.845 30 40 GHEB N#C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 596736959 UKQAPWIMQPLRFT-VQIMIIECSA-N 397.500 3.864 30 40 GHEB CCc1ccccc1/N=C(\O)CN(C)C(=O)[C@H](C)N1CCC[C@H](C(F)(F)F)C1 82071312 AVYMPTCQCIXQNK-HOCLYGCPSA-N 399.457 3.958 30 40 GHEB C#CCOc1cccc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)c1 12220561 CXVBAXARDVCPHT-UHFFFAOYSA-N 391.515 3.676 30 40 GHEB NC(=O)[C@@]1(c2nc(-c3ccc(Br)cc3)cs2)OC12CCCCC2 12250613 QQUODICXJJQMFA-KRWDZBQOSA-N 393.306 3.986 30 40 GHEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F 3589518 UFASEKIARGLUCE-XGIGFIBQSA-N 383.448 3.948 30 40 GHEB COc1ccc([C@H]2C=C(c3ccc(Br)cc3)NC(=O)[C@@H]2C#N)cc1 1775968627 HWFXJIHUAJCXDA-IAGOWNOFSA-N 383.245 3.852 30 40 GHEB CC(C)Nc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828638 HAKVIJAJVIRWNA-KRWDZBQOSA-N 384.436 3.628 30 40 GHEB S=C(NC[C@H]1CCCO1)N/N=C/c1sc(Nc2ccccc2)nc1Cl 3314494 RPLZEOBEJIAAPZ-AINDZBIGSA-N 395.941 3.517 30 40 GHEB C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1 4812596 QNNXJGVOSXPZJY-SJLPKXTDSA-N 391.519 3.922 30 40 GHEB COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 6167238 FPQPJVULYNCIEC-XTBHVRTMSA-N 398.411 3.569 30 40 GHEB biogenic C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(OC)cc1 9328134 RKCLLZCPPIPBMO-UHFFFAOYSA-N 390.468 3.986 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(c4ccccc4OC)CC3=O)n2)cc1 9422551 VNXZMYRTEJDUCC-UHFFFAOYSA-N 393.468 3.544 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccc(C)c4)CC3)o2)cc1 12418233 HDCXFMLOQKBAAV-UHFFFAOYSA-N 386.455 3.793 30 40 GHEB C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C 14594408 MRRHZTMSIVTFSK-ZTHZXAOBSA-N 386.444 3.774 30 40 GHEB biogenic,in-vitro CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccnc1 24672165 XYELHIOIOITMQJ-FQEVSTJZSA-N 387.524 3.658 30 40 GHEB COC(=O)c1ccc(OCCOc2ccc(C#N)cc2)c(Br)c1 24837558 NLIAETLXSALUSX-UHFFFAOYSA-N 376.206 3.565 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225108459 WZJVPHLSNMCRPG-UHFFFAOYSA-N 385.844 3.878 30 40 GHEB O=C1C(=Cc2ccc(CC3CCNCC3)c([N+](=O)[O-])c2)C(=O)c2ccccc21 227149308 UDKHGMWWJKCKSC-UHFFFAOYSA-N 376.412 3.600 30 40 GHEB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1cc(C)ncc1C#N)CC2 576746828 PMNXBELWRFCDQN-FQEVSTJZSA-N 380.517 3.731 30 40 GHEB Cc1nc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c(C#N)c(C)c1Cl 2298194316 AZYTVHWGYFYVDB-CQSZACIVSA-N 396.869 3.698 30 40 GHEB CS(=O)(=O)c1ccc(N/N=C2/C(=O)Nc3ccc(-c4ccccc4)cc32)cc1 43957652 GLDDACQTFJAKBO-UHFFFAOYSA-N 391.452 3.525 30 40 GHEB N#Cc1ccc(Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)nc1 12824028 LOMUCTFXMATWIG-UHFFFAOYSA-N 390.516 3.730 30 40 GHEB N/C(=N\C(=O)c1ccccc1NC(=O)c1ccccc1)Nc1nc2ccccc2o1 13110642 MENJFEGVUWBRSC-UHFFFAOYSA-N 399.410 3.647 30 40 GHEB aggregator COC(=O)COc1ccccc1/C=C1/S/C(=N/c2ccc(C)c(C)c2)NC1=O 4723702 JXSDESQBTXAGTE-WOJGMQOQSA-N 396.468 3.747 30 40 GHEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1c(OC)cccc1OC 4943735 VZFFQMNEUWMHID-UHFFFAOYSA-N 393.443 3.891 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)sc2c1CCC2 7980570 WMRCTAYRFFWVIT-UHFFFAOYSA-N 396.255 3.606 30 40 GHEB N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 38653582 UHCJWCYKHPKAJX-UHFFFAOYSA-N 388.446 3.778 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N/c1cccc(F)c1 100263316 RCBOCJCXFBQIMZ-OBAOGOGRSA-N 375.400 3.555 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)cc1 5079591 TUBRPNBRHDFVJX-WSYSLRRZSA-N 381.428 3.844 30 40 GHEB O=C1N[C@@H](c2ccc(Cl)cc2)C(C(=O)c2ccc(Br)cc2)=C1O 5446508 OUHJTUCTHFZAKE-AWEZNQCLSA-N 392.636 3.968 30 40 GHEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(Br)cc1)CCCC3 3206482 KWROBLCQHGBNQW-AWQFTUOYSA-N 388.290 3.982 30 40 GHEB N#CCCN(C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 3253792 XEBHCDBHWRRSLX-UHFFFAOYSA-N 390.361 3.738 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1)c1cccs1 4538238 IBYKWVBTWXQRNB-GOSISDBHSA-N 376.437 3.922 30 40 GHEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCC(=O)O 4660197 ZZZNQWQCNOZEAD-UHFFFAOYSA-N 386.787 3.665 30 40 GHEB C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 5381359 VBVBUSKUGSIATA-KQWNVCNZSA-N 399.516 3.908 30 40 GHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 5444124 JEKGHTQOOIBEPK-HXUWFJFHSA-N 378.472 3.987 30 40 GHEB CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)c(F)c1 12911264 WTVWUQVQGVROKN-UHFFFAOYSA-N 375.444 3.847 30 40 GHEB COc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1 16676492 ITRCLLHXCFKONG-MEGCXXLRSA-N 381.501 3.983 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnc(/N=C(\O)OCC)s2)c1C 32891736 CSVXQQMIHMDMBG-UHFFFAOYSA-N 380.495 3.699 30 40 GHEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccccc1OC 96936300 MSVIJWXBWHBVFS-QCLNCQLRSA-N 397.500 3.984 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)no1 102803959 RRIWIRZHFVYHKC-UYTDBDHRSA-N 384.775 3.856 30 40 GHEB COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242548681 LTJKCXNQXUJMGF-GUDVDZBRSA-N 375.877 3.745 30 40 GHEB O=C(Cn1cc(/C=N/c2cccc(Cl)c2)c2ccccc21)N1CCOCC1 408962418 RRNSEGGLBDJCGQ-YDZHTSKRSA-N 381.863 3.904 30 40 GHEB N#Cc1nc(COc2ccccc2F)oc1N1CCN(c2ccccc2)CC1 934561 SVRUOZWDGDCCHD-UHFFFAOYSA-N 378.407 3.591 30 40 GHEB N#Cc1ccccc1COc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl 4696486 DFEAHZLQIJJUEN-VIZOYTHASA-N 388.210 3.624 30 40 GHEB O=C(O)c1cccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)c1 6223169 HNPJNKYHPUKNCC-LPYMAVHISA-N 379.441 3.643 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccsc2c1=O 8878889 GNRPGUFEEQTEOG-UHFFFAOYSA-N 399.497 3.577 30 40 GHEB C=C(C)Cn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccncc1 16788595 FSBPMTIKLKWUKP-UHFFFAOYSA-N 395.488 3.656 30 40 GHEB CSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 18219468 QVCNHDLCRGUFFA-OAHLLOKOSA-N 385.449 3.566 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 18227754 RZBONVFTQSIPER-RABLAQOOSA-N 398.509 3.842 30 40 GHEB Cc1cc(C)cc(C(=O)N2CCC[C@@H](/C(O)=N/c3nc(C(F)(F)F)n[nH]3)C2)c1 40153410 PERQVYOONLXHRG-GFCCVEGCSA-N 395.385 3.581 30 40 GHEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccc(OC)cc1)C2 100765805 JBYKPYZVLDVKCA-SFTDATJTSA-N 377.484 3.722 30 40 GHEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c[nH]c2ccccc12 409306581 PNBOJRVZFCTCPH-UHFFFAOYSA-N 381.233 3.831 30 40 GHEB N#Cc1cn(Cc2ccccc2)c2cc(N3CCSCC3)c(F)cc2c1=O 1775967403 QJUKBLZEVYGLCQ-UHFFFAOYSA-N 379.460 3.614 30 40 GHEB COCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)S/C1=N\c1ccccc1 2777124 DKDYQWHCYQHJRB-IECUCWQJSA-N 398.484 3.954 30 40 GHEB O=[N+]([O-])c1cc(/C=N/n2cnnc2)ccc1Sc1nc2ccccc2s1 3094711 VSSKTYUWPCSCEB-UFWORHAWSA-N 382.430 3.829 30 40 GHEB COC(=O)N[C@@H](Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F 3212572 LRXXUCICTKQDFM-VIFPVBQESA-N 381.219 3.919 30 40 GHEB CCSC1=N[C@@H](c2ccc(NC(C)=O)cc2)[C@]2(C#N)C(N)=NC(SCC)=C12 4727231 XEJJXOARHAGLFI-HNAYVOBHSA-N 399.545 3.697 30 40 GHEB C=CCc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc12 5043331 MDZIAWQCHYAAKF-UHFFFAOYSA-N 393.439 3.511 30 40 GHEB biogenic O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(O)ccc21 6101999 XDANMVGBNRBXPG-WCSRMQSCSA-N 375.174 3.637 30 40 GHEB CN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 18155069 ZTVAMYMOVFQCDS-OAHLLOKOSA-N 391.855 3.751 30 40 GHEB Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19959934 JWUZKUKDUYMMJY-BTYIYWSLSA-N 389.459 3.661 30 40 GHEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(C[C@@H](C)CC2=O)N1 20059192 VTJWJIFDCLPSOY-LRTDBIEQSA-N 388.471 3.638 30 40 GHEB C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cccc(Br)c1 32934573 CWFYAEUNXCGFNC-GOSISDBHSA-N 390.302 3.761 30 40 GHEB COc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C)c3n2)cc1 36615878 HJDPTISUMSEHAX-UHFFFAOYSA-N 397.438 3.962 30 40 GHEB C#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)c1 58230362 QEXUPLXTZWHZIA-NRFANRHFSA-N 384.435 3.770 30 40 GHEB C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 100975553 ISDOPGIWFLNRHI-UYSITSMJSA-N 386.907 3.615 30 40 GHEB COC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218548991 LVVBPJUYLQELHU-SQNIBIBYSA-N 379.840 3.575 30 40 GHEB C=CCN(Cc1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224467844 IOVQDNJVZUINNT-UHFFFAOYSA-N 398.528 3.736 30 40 GHEB CCOc1cc(OCC)c(/C=C2/S/C(=N/C)N(C)C2=O)cc1Br 408929571 LBNAOVPDJUFAEP-XUVFPMAOSA-N 399.310 3.778 30 40 GHEB CCCc1ccc(C#N)c(S[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)n1 778149 YLENZCFTHVOHOB-SFHVURJKSA-N 395.484 3.729 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3OC)cc21 8959584 AANHGOLRTUIBSN-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB CCOc1ccc(CCC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 10675669 HKWIKQZWRUQAOT-UHFFFAOYSA-N 398.528 3.990 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)n(C[C@H]2CCCO2)c1C 12681710 VYHNSEOHRIBXOP-XUVXKRRUSA-N 398.551 3.606 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 14137216 LMPZHFAHPZSZEE-UHFFFAOYSA-N 392.406 3.977 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccc(F)c(Br)c1)c1c(O)n[nH]c1N2 18199335 WTRIMLAEMHNWLA-LBPRGKRZSA-N 378.201 3.581 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)c(Cl)c1 19804837 AWGJTPJNDKAZIV-QGZVFWFLSA-N 381.815 3.787 30 40 GHEB N#CCc1ccc(OC[C@@H](O)CSc2nnc3sc4ccccc4n23)cc1 24094460 MGTJULGQASELNA-CQSZACIVSA-N 396.497 3.542 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(N3CCOCC3)cc2C(F)(F)F)c1 59475487 IXEKOOUFCWFWTQ-SSDVNMTOSA-N 395.337 3.906 30 40 GHEB C/C=C/C=C/[C@@H]1C=C[C@H]2C[C@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@@H](C)O)C1=O 100066071 AIFXMSDWXBFQTF-FBJQWDPQSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)O)cc1 409058739 KVIAADCXWKVPCJ-PPVAIKJXSA-N 383.385 3.527 30 40 GHEB CCOP(=O)(OCC)/C(C#N)=N/OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1783193 AZYDDDWJUOAKQR-FOWTUZBSSA-N 389.688 3.508 30 40 GHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21 2493114 OYGQPQVEAMHTJJ-QGZVFWFLSA-N 392.274 3.504 30 40 GHEB COc1cc([C@H]2C(C(C)=O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 3053334 BNPBTCRKVWFLHV-OAQYLSRUSA-N 398.411 3.828 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)NCc3cccc(Cl)c3)ccc2c1=O 3630110 FCEBRPZWMYUPPM-UHFFFAOYSA-N 385.876 3.828 30 40 GHEB COc1cc2c(cc1OC)CN(/C=N/c1ccc(Br)cn1)CC2 5345396 QZSVFCNYPLCXTE-RGVLZGJSSA-N 376.254 3.579 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 5800507 DTUAIIPCDIPXOQ-LJQANCHMSA-N 390.395 3.775 30 40 GHEB COc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC(F)F 7333705 DHKLCNLIEPSONG-GORDUTHDSA-N 375.327 3.524 30 40 GHEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408623859 SLNSNROUDAAAME-UHFFFAOYSA-N 392.396 3.853 30 40 GHEB N#CCOc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531383810 QNEDZCUHNYMCKD-PCLIKHOPSA-N 380.407 3.848 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1OCC 4851983 KTVLYZWSKVHQOY-UHFFFAOYSA-N 398.488 3.629 30 40 GHEB Cc1noc(C)c1CN(C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 95456883 PRKAWHVELLLFLP-MRXNPFEDSA-N 395.290 3.801 30 40 GHEB CCOc1ccc(-c2nnc(/N=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 20496017 PEDUJPMIYHVOGA-UHFFFAOYSA-N 399.319 3.588 30 40 GHEB Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)sc2cccc(F)c12 10683116 KNRUMNPFGXCBQQ-BUXKBTBVSA-N 376.453 3.949 30 40 GHEB N#Cc1ccccc1/C=C/C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 13002577 MLSKPHSDQAQKRO-MDZDMXLPSA-N 388.496 3.526 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1OCc1cccc(F)c1 409406493 QVPAUPUTPVKFIK-SNHGZMDHSA-N 390.414 3.546 30 40 GHEB NS(=O)(=O)c1ccc(N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 70037255 OTKLWQXUXVBSJF-AZJLSSPBSA-N 393.468 3.674 30 40 GHEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)Nc1ccccc1F 225860189 YBTDNCZVZOXCLC-UHFFFAOYSA-N 382.826 3.964 30 40 GHEB C=CCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223421417 BDLFDRIPDQPFDX-UHFFFAOYSA-N 388.489 3.959 30 40 GHEB C=CCN1C(=O)S/C(=C/c2cc(Br)cc(OCC)c2O)C1=O 1018546 REGDNCAEJRCNDI-KPKJPENVSA-N 384.251 3.776 30 40 GHEB Cc1ccc(C)c(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1 13119384 OWMWIIDHOAZCGF-UHFFFAOYSA-N 385.470 3.515 30 40 GHEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cccc([N+](=O)[O-])c1 3214973 JEBPPDWNJDDTPV-UFFVCSGVSA-N 376.397 3.915 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 6412887 UOIGFWJJOWWEIF-LJQANCHMSA-N 390.395 3.775 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20438425 DVDPJVLXKDRKAQ-WZYRSQIMSA-N 391.430 3.879 30 40 GHEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/n1c(C)nc2ccccc2c1=O 2663683 RHMJEBRWFCIBTH-FOKLQQMPSA-N 395.825 3.874 30 40 GHEB CO/N=C/NC(=O)[C@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 4002266 DNHOXPKMTHJYLG-NRFANRHFSA-N 390.414 3.895 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1F 4814609 DSEYWMMJTBTPLD-LLVKDONJSA-N 389.481 3.846 30 40 GHEB CS(=O)(=O)Oc1ccc([C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 5527632 WHDFOXDIHMWJOD-LBPRGKRZSA-N 390.770 3.748 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 5969178 YUEAUTMBATVGIO-UHFFFAOYSA-N 399.406 3.606 30 40 GHEB N#C[C@H](Cc1ccccc1)Sc1nnnn1-c1ccc(OC(F)(F)F)cc1 6589764 YTDIQVHBRARWGR-HNNXBMFYSA-N 391.378 3.788 30 40 GHEB N#Cc1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(C#N)cc3)n2)cc1 7034682 NLJXUJIDZMWOBE-UHFFFAOYSA-N 397.390 3.539 30 40 GHEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(O)c(OC)c3)cc2F)CC1 9157404 BRMDKUGTESDXQP-XBXARRHUSA-N 384.451 3.578 30 40 GHEB COC[C@@H](C)N1/C(=N/c2cccnc2)SC[C@]1(O)c1cc2ccccc2o1 13067227 JTJDHJFWWKNJPL-LAHGXWJYSA-N 383.473 3.744 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2ccc(C)cc2)cc1 17993506 KVPQEMLNSYZLEA-QGZVFWFLSA-N 391.452 3.938 30 40 GHEB CN1N=C(c2cc3c(cc2F)NC(=O)CC3)CS/C1=N\Cc1ccccc1 55048199 YUIPMQIEIYCCJV-XDOYNYLZSA-N 382.464 3.649 30 40 GHEB CC/C(C)=N/Nc1nc2c(N3CCN(C(C)=O)CC3)c(Cl)ccc2s1 57327932 PYZFQCNQVZHNCM-RGVLZGJSSA-N 379.917 3.816 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccccc2F)no1 102798424 MIIDUAIAIFTZKH-SELCWUDQSA-N 396.349 3.888 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803498 BPRAOZFDQKEWQJ-HVESIFNPSA-N 380.425 3.979 30 40 GHEB COc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)c1 102805960 DXTXQCNYPRGDHV-WOOAAIBNSA-N 390.395 3.618 30 40 GHEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218392948 LTJKCXNQXUJMGF-GBESFXJTSA-N 375.877 3.745 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](c2cccc(F)c2)C1 560676394 RKBOAWDQWSSKJR-MJGOQNOKSA-N 395.478 3.959 30 40 GHEB CCc1cccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2086869119 VLOQLXQUBBDERP-CALCHBBNSA-N 375.501 3.698 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)C(Cl)(Cl)Cl)NC(C)(C)C2 2097463 NFIOIUFNQVQDMO-XFFZJAGNSA-N 378.683 3.908 30 40 GHEB biogenic CSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CCCC1=O)N2 4736972 NCFXTEDIBFWLLS-CQSZACIVSA-N 391.840 3.584 30 40 GHEB N#Cc1ccsc1NC(=O)CSc1nnc(NCc2ccccc2)s1 6788698 HAPYXVQYDLZNSN-UHFFFAOYSA-N 387.515 3.814 30 40 GHEB CCN1CCN(c2nc3ccc(OC(=O)c4ccc(C#N)cc4)cc3s2)CC1 7512700 AVLLNAWOAQXCHN-UHFFFAOYSA-N 392.484 3.529 30 40 GHEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 7977456 ICSJWMXOTOFRQW-INIZCTEOSA-N 394.496 3.795 30 40 GHEB CC(C)C(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 9319747 MIKSEUCIIRMMCY-CLCOLTQESA-N 386.354 3.978 30 40 GHEB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(F)cc1C#N 12927636 HWLMYSSFWMSRRT-UHFFFAOYSA-N 377.423 3.881 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 13104526 LKXSXPSGZABJDJ-RTGRKSDTSA-N 377.440 3.786 30 40 GHEB N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccccc2C(F)(F)F)c1=O 14160686 VWKVKCDDSLFKNU-UHFFFAOYSA-N 384.313 3.665 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc([N+](=O)[O-])c1 23114549 DBXJFAXTNCFPDC-GOSISDBHSA-N 390.395 3.726 30 40 GHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cncn1-c1ccc(F)cc1 25074673 WNIANBFCKGVVBY-UHFFFAOYSA-N 387.336 3.812 30 40 GHEB Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2cccc(F)c2)c1C 33737106 BYNYHKVOBDJZDK-UFFVCSGVSA-N 377.383 3.958 30 40 GHEB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N(CCC#N)c1ccccc1 36802164 JTMFZBDKWYPDDF-CQSZACIVSA-N 379.441 3.788 30 40 GHEB Cn1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(Cl)c2ccccc21 40145033 ACFAZABJNPVMRJ-UHFFFAOYSA-N 392.890 3.661 30 40 GHEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224956156 LIBBKNAHWKSHGG-UHFFFAOYSA-N 395.864 3.517 30 40 GHEB CC1(C)Cc2c(sc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)c2C#N)CO1 1088014 MIKINGLNXIAYEQ-AWEZNQCLSA-N 388.489 3.676 30 40 GHEB C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)CC(N)=O 3023652 MXDJHJIADZLOEG-UHFFFAOYSA-O 376.933 3.895 30 40 GHEB O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 13683903 IJVXZVVTRCJHLT-OBLBUWMUSA-N 381.403 3.773 30 40 GHEB CCOc1cc(/C=N/O)cc(Br)c1OCC(=O)Nc1ccccc1 13747511 MCQZECZKGJUOCZ-VXLYETTFSA-N 393.237 3.673 30 40 GHEB N#Cc1ccc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)nc1 24970080 QPXAXSOVEFTUHK-UHFFFAOYSA-N 394.479 3.810 30 40 GHEB N#Cc1c(F)cccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 26021123 JCHSQBHITZFFSE-UHFFFAOYSA-N 377.341 3.679 30 40 GHEB CSc1ccc([C@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102715612 QQYWKURLGIEHEL-YAJHFMINSA-N 378.457 3.917 30 40 GHEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218390135 HPMXGTLDTOSKPY-FHWLQOOXSA-N 375.877 3.745 30 40 GHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(CC)c2)cc1 223752433 CLXWFUMXTNTTMV-UHFFFAOYSA-N 375.490 3.643 30 40 GHEB Cc1ccc(/N=C2\C(=O)N(CN3[C@H](C)COC[C@H]3C)c3ccccc32)cc1C 226758120 VJQBNUJOZXOSCL-BPPCCPPMSA-N 377.488 3.838 30 40 GHEB Cc1cc(C)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c1C#N 409412091 RAAFYRFTQCTYQQ-UHFFFAOYSA-N 384.650 3.936 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc3ccccc3cc2O)C1=O 2633418 CMGFKSPAZWDVOR-JOCHJYFZSA-N 397.475 3.861 30 40 GHEB C#CCOc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 3652649 DACKALFWGRDKPE-BOPFTXTBSA-N 396.830 3.848 30 40 GHEB O=C(Nc1ccccc1)c1ccc(N/N=C/c2ccccc2O)c([N+](=O)[O-])c1 4593043 GFTBEBHMRIEAEG-FYJGNVAPSA-N 376.372 3.999 30 40 GHEB Cc1c(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)oc2c(Cl)cccc12 11125616 IWUODVVWMZTZKB-CWTRNNRKSA-N 376.840 3.994 30 40 GHEB C=CCn1cnnc1SCc1nc(-c2cccc(Br)c2)no1 12909095 UABWSNWDGLVSCN-UHFFFAOYSA-N 378.255 3.569 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 20633295 AISJOWHAOFGGQO-HXUWFJFHSA-N 391.427 3.769 30 40 GHEB C=C(C)CN(CC)c1nc(N)c(C#N)c([C@@H](C#N)Cc2ccc(C)cc2)c1C#N 25540484 QWQWVBKQXFJIQF-GOSISDBHSA-N 384.487 3.968 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)OCc3cccc(C(F)(F)F)c3)cc2C1=O 32670078 KUCCCJYDFWBBNI-UHFFFAOYSA-N 389.329 3.844 30 40 GHEB N#Cc1nc(-c2ccc(Cl)cc2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138157209 AJJSEXYYIIRLHN-DZGCQCFKSA-N 392.846 3.652 30 40 GHEB C=CCOC(=O)c1cc(Br)c(OCc2cccnc2)c(OC)c1 226321383 LOMDOCMMUXMGIY-UHFFFAOYSA-N 378.222 3.775 30 40 GHEB O=C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242687779 UVMUYCQDYVHVMJ-OAGGEKHMSA-N 399.693 3.857 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 58140494 ZSHIBVLLTJCQCE-IAGOWNOFSA-N 392.455 3.514 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 58158204 BNHOTMWATJIOSH-IBGZPJMESA-N 394.519 3.835 30 40 GHEB Cc1cccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)s2)c1C 3339520 ZUEWIUDJJWRCFY-GOSISDBHSA-N 387.534 3.799 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 36613968 XCPVJWIJHBMKEL-UHFFFAOYSA-N 392.846 3.900 30 40 GHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1/N=C1/CCN(c2ccccc2)N1 5338368 GSWRMUSQGWTUJV-UHFFFAOYSA-N 395.297 3.967 30 40 GHEB Cc1cc(C)nc(N/N=C/c2c(C)c(C(=O)c3ccncc3)n3ccccc23)n1 5447437 RAZOILIBCXISBP-ZMOGYAJESA-N 384.443 3.727 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 5753618 XVDAKKXTMLJWGR-UHFFFAOYSA-N 385.423 3.781 30 40 GHEB C/C(=N\Nc1cc(C)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 4859754 KWZMCBDLZVCRSQ-WSDLNYQXSA-N 380.279 3.765 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1)c1ccco1 6813505 TURNBONUJURNIW-OAHLLOKOSA-N 381.775 3.506 30 40 GHEB O=C1/C(=N\Nc2ccc(Br)cc2)c2ccccc2N1C1CSC1 223717600 IREJSFHPFLCHSH-SILNSSARSA-N 388.290 3.727 30 40 GHEB N#Cc1ccc(NCC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 608878179 OPULJOKHCMWGES-UHFFFAOYSA-N 384.277 3.928 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 5691043 IMOZVVRFTGLEME-QAPCUYQASA-N 383.469 3.814 30 40 GHEB O=C(/C=C/Nc1ccccc1C(=O)O)c1ccc(I)cc1 19944772 KQMLIYWCVFDAFX-MDZDMXLPSA-N 393.180 3.798 30 40 GHEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S1 5408123 FWIHAKPZXDVHFQ-VPNURPJOSA-N 380.901 3.678 30 40 GHEB CCOc1ccc(CC(=O)C2=C(N)C[C@H](c3ccccc3)CC2=O)cc1OCC 100155604 VYEWWMSWVYUKSU-SFHVURJKSA-N 393.483 3.955 30 40 GHEB C=CCNC(=O)c1ccccc1SCC(=O)N[C@H]1CCCc2ccccc21 3284714 HVHBAFAFXNJVPC-IBGZPJMESA-N 380.513 3.888 30 40 GHEB CSc1c(C#N)c(N)nc2c(/N=N/c3cccc(C(F)(F)F)c3)c(N)nn12 3849249 ZSRBDZPLISKDNE-WCWDXBQESA-N 392.370 3.921 30 40 GHEB Cc1cc(NC(=O)Nc2ccc(C#N)cc2)c(=O)n(Cc2cccc(F)c2)c1 5000921 LNMJRUBCSBHZJP-UHFFFAOYSA-N 376.391 3.860 30 40 GHEB CC(C)C(=O)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F 5481669 VISPEFMAVYIQRR-KWQFWETISA-N 378.288 3.552 30 40 GHEB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 5560311 MDRGLFIKJJLSKM-UHFFFAOYSA-N 381.388 3.559 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19498933 JSBSJXGIICEVBG-NRFANRHFSA-N 376.500 3.779 30 40 GHEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1O 20761570 FXBXVIGKALPVCJ-VXLYETTFSA-N 379.254 3.686 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 66088869 FZVWCEZVMVESDZ-LJQANCHMSA-N 399.418 3.536 30 40 GHEB O=C(O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F 113999446 JNYDOQOWNTURLR-PWNYCUMCSA-N 396.055 3.673 30 40 GHEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409344206 ICNZGZHZYVDNPD-SOFYXZRVSA-N 381.822 3.702 30 40 GHEB CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(O)c1 409401916 CLODIIDOPABCNP-UHFFFAOYSA-N 384.439 3.717 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 409406074 PVUGKECWDLOKBV-UHFFFAOYSA-N 383.407 3.717 30 40 GHEB Cc1ccc(CN2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)nc1 585295344 VZUBSQFYILBPPQ-UHFFFAOYSA-N 399.502 3.878 30 40 GHEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)ccc1O 1296622 BWOWPGXEGMXLKF-RGVLZGJSSA-N 386.249 3.699 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc2c(c1)OCO2 2098008 FETFPKFBJMNJSH-OCKHKDLRSA-N 376.320 3.844 30 40 GHEB biogenic O=C(O)CCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1 4953146 RSOOWNOHGPIGRP-QZMUEMGWSA-N 391.423 3.529 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C)cc1 5799485 GKONASZNRLTHDH-MRJHHRETSA-N 392.499 3.759 30 40 GHEB N#Cc1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc2c1CCCC2 6383998 CJEXEMFGQMXTRR-UHFFFAOYSA-N 393.468 3.704 30 40 GHEB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C#N)o1 12880719 QHFVJHNZWORNMU-UHFFFAOYSA-N 380.429 3.738 30 40 GHEB COC(=O)c1ccc(-c2ccc(/C=N/NCc3ccc(OC)c(OC)c3)o2)cc1 20195889 VQOVRYQNPUEQCF-ZVHZXABRSA-N 394.427 3.874 30 40 GHEB C=CCN1C(=O)c2ccc(C(=O)OCc3ccccc3C(F)(F)F)cc2C1=O 32670080 WUPJJEHIINEJTM-UHFFFAOYSA-N 389.329 3.844 30 40 GHEB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1C 84007857 USEILXJFWQUFGY-UHFFFAOYSA-N 377.366 3.911 30 40 GHEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC(N)=O 100384109 RYYFVHOHWFAPOI-ZVBGSRNCSA-N 391.265 3.689 30 40 GHEB CCc1cccc(C)c1N1C(=O)C[C@H](S/C(=N\C#N)Nc2ccccc2)C1=O 113482113 WISWCWORESMYMO-KRWDZBQOSA-N 392.484 3.872 30 40 GHEB COc1ccc2nc(SCC(=O)Nc3ccccc3OC)c(C#N)cc2c1 917534 CQJPQDLAYIOMOA-UHFFFAOYSA-N 379.441 3.854 30 40 GHEB C=CCN1C(=O)N[C@H](c2ccc(Br)cc2)C(C(=O)OCC)=C1C 3418958 FWABOIKKXGICPK-OAHLLOKOSA-N 379.254 3.539 30 40 GHEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 7361123 CTKGJKHHWHSOQR-UHFFFAOYSA-N 388.489 3.535 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 7777312 GLPQZKGLMQFMEZ-HNNXBMFYSA-N 388.876 3.946 30 40 GHEB CCCCCCCNC(=O)[C@H]1CC(=O)N(C)/C(=N/c2ccc(OC)cc2)S1 8426688 QXVNYGOVPQWLGF-SLNYWTKHSA-N 391.537 3.733 30 40 GHEB N#CCSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 9946404 SABXEJNONFZPGQ-UHFFFAOYSA-N 381.427 3.888 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 19208994 WTYVRTKCUQQCAS-OAQYLSRUSA-N 392.499 3.833 30 40 GHEB Cc1cc(C)n2nc(CCCNC(=O)Nc3cnc4ccccc4c3)c(C#N)c2n1 58131219 NQHOYTVJJUUPFA-UHFFFAOYSA-N 399.458 3.520 30 40 GHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224744231 CUMFDRXJRAKFQB-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB Cc1cccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c2C)c1 408585986 ACMCRALKNILPFU-QMLOXAIHSA-N 399.494 3.790 30 40 GHEB COc1ccc(N2CC(=O)C(c3nc(-c4ccc(F)cc4)cs3)=C2N)cc1 3231065 GGTDEVOEZCGTRZ-UHFFFAOYSA-N 381.432 3.674 30 40 GHEB C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1 3563029 BMSZFSXSESSXMX-UHFFFAOYSA-N 390.468 3.519 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 6384143 NJYHCYCXLNVTNI-UHFFFAOYSA-N 379.441 3.508 30 40 GHEB N#Cc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)cc1 6781217 ZCGXWJRZAORZHT-UHFFFAOYSA-N 395.397 3.770 30 40 GHEB CC1(C)Cc2c(C#N)c(OCCN3CCCCC3)nc(-c3ccco3)c2CO1 12324207 ZXZOTBVVQQSMRF-UHFFFAOYSA-N 381.476 3.929 30 40 GHEB C=CCN1CCN(C(=O)CCC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19501438 WEYSQJDEDFFWGW-JOCHJYFZSA-N 391.515 3.564 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Br 409057986 QWJPDRDYKSFBEI-ZROIWOOFSA-N 380.263 3.906 30 40 GHEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(SC)cc2)S1 409090666 NATQULQEBMACHJ-KAMYIIQDSA-N 391.514 3.756 30 40 GHEB C[C@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1/N=C/c1ccco1 714437 DKGZLDDCZDCNJY-DZSVRRGNSA-N 376.372 3.963 30 40 GHEB C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccc(C)cc3)nnc12 3542517 YZMSGWKVUNQBHH-UHFFFAOYSA-N 392.484 3.710 30 40 GHEB COc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)ccc1NC(=O)c1ccco1 8206958 QDDSZOIMEBQMDO-RGVLZGJSSA-N 381.344 3.905 30 40 GHEB N#Cc1ccccc1CSCCNC(=O)CSc1nc2ccccc2[nH]1 9116039 ROECZOIUHWWNMP-UHFFFAOYSA-N 382.514 3.576 30 40 GHEB C=CCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)c1nc2ccccc2s1 12787363 FURGNZDSFHTOFP-UHFFFAOYSA-N 395.484 3.961 30 40 GHEB C/C(=N\S(=O)(=O)c1cc(Br)ccc1Br)OC(C)C 17377290 ORWXKBQNIOPMDI-RIYZIHGNSA-N 399.104 3.744 30 40 GHEB O=C(C[n+]1ccccc1)Nc1sc2c(c1C(=O)c1cccc(F)c1)CCC2 35288772 VWJMHNLENXAYST-UHFFFAOYSA-O 381.452 3.533 30 40 GHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Oc3ccccc3F)c(F)c2)C(=O)O1 103908773 BGUZVLXDHJYGEL-CPSHHHPTSA-N 384.334 3.985 30 40 GHEB CCCCCCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 106010821 FKHIIBHVJJMUKP-UHFFFAOYSA-N 394.924 3.994 30 40 GHEB CN(C)c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408593068 OSAGPCAJVXFNEQ-VCHYOVAHSA-N 378.226 3.974 30 40 GHEB CCN(CC)c1ccc(/C=C2\S/C(=N/C)N(C)C2=O)cc1Br 408850484 AUACEZCRUJGMQX-CBFHDUEPSA-N 382.327 3.827 30 40 GHEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(N2CCOCC2)cc1 409102145 YDLYKEBERAQTNZ-JJIBRWJFSA-N 395.503 3.891 30 40 GHEB Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2601672 KOLUFMIXTWBPNM-NSHDSACASA-N 387.465 3.577 30 40 GHEB CC(=O)C1=C(c2cccs2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 4518341 UPHZFTMDBNCGLD-UHFFFAOYSA-N 382.470 3.555 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(OC)c3)ccc21 8958770 MCUOKQJNARNKHP-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB COc1ccc(-c2csc(NC(=O)/C(=N/Nc3ccccc3)C(C)=O)n2)cc1 100552301 MAHYNNGBUYTESC-HKOYGPOVSA-N 394.456 3.814 30 40 GHEB Cn1c(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)nc2ccc(F)cc21 72305848 UDALLZOXUCYYNE-UHFFFAOYSA-N 382.443 3.505 30 40 GHEB Cc1cc2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2c2ccccc12 5885896 SSEOWKCRWOXCDF-XOBRGWDASA-N 381.505 3.726 30 40 GHEB COc1cccc(/C=N/c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1O 4964355 DXGABNLPRVTAQJ-PXLXIMEGSA-N 396.468 3.977 30 40 GHEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1OC(=O)c1ccccc1 408887382 QJCQPYLFTOIDHS-WSDLNYQXSA-N 392.371 3.664 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408854184 ZHEVMZYQTDUMBE-LICLKQGHSA-N 379.214 3.997 30 40 GHEB CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC 36619656 DCIHRWWTVBRCPO-LJQANCHMSA-N 381.428 3.692 30 40 GHEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218348900 VXGJUNFHEJWHKQ-ONTIZHBOSA-N 397.496 3.570 30 40 GHEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)cc1 225916575 XFIILCMWPJCCMT-UHFFFAOYSA-N 383.444 3.950 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O 101662091 XOORRGVNYNAAGD-VFNWGFHPSA-N 391.487 3.674 30 40 GHEB O=S(=O)(Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1558507 UXPCZDYRRUONAJ-UHFFFAOYSA-N 376.196 3.821 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(OC(F)F)cc2)cc1 5228474 FGMJAYBBCWIQQU-UHFFFAOYSA-N 388.370 3.700 30 40 GHEB N#CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 7152445 PNTMEQVPWICIQN-QFIPXVFZSA-N 398.462 3.613 30 40 GHEB CCc1ccc(CC)c(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c1 7564409 BQJDBTQPBJACLR-UHFFFAOYSA-N 378.428 3.703 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N2 7990952 ONEOIOKIOQBQJU-CYBMUJFWSA-N 389.502 3.504 30 40 GHEB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 8844188 ATXMUJIWMLLOCO-CQSZACIVSA-N 390.468 3.736 30 40 GHEB O=c1c2c3c(sc2ncn1/N=C/c1cccc(Br)c1)CCCC3 15223110 VRQGYABSIKKTIA-AWQFTUOYSA-N 388.290 3.982 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2nc(C)nn21 22608807 VBWZTSCFTGAJSS-LHSJRXKWSA-N 390.443 3.994 30 40 GHEB CCCn1c(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)nc2ccccc21 24149108 HIPKKJGHCLTWMD-UHFFFAOYSA-N 388.475 3.568 30 40 GHEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccco1 24672137 VEILBEIYWGVRQW-IBGZPJMESA-N 376.497 3.856 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)Cc1ccc(Cl)cc1 40112201 IGIHCUKTLCMGIO-CYBMUJFWSA-N 395.894 3.551 30 40 GHEB C[C@@H]1CCc2sc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2C1 58967207 RJVLUIJFNMNHIW-MRXNPFEDSA-N 381.545 3.949 30 40 GHEB CS(=O)(=O)/N=C(\O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 95555921 AGIWOKIVCOCOHX-UHFFFAOYSA-N 389.864 3.651 30 40 GHEB CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1O 408876639 MSWOLWSRVDFQAJ-WQRHYEAKSA-N 384.457 4.000 30 40 GHEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OCC)c1OCC 409363099 SZOKBBPQCDAZGU-UHFFFAOYSA-N 393.443 3.510 30 40 GHEB COC(=O)[C@@H]1C(=O)C=C(Nc2cc(OC)ccc2OC)C[C@H]1c1ccccc1 1080001 WHEMSCCUAMVRDZ-UWJYYQICSA-N 381.428 3.545 30 40 GHEB Oc1c(/C=N/C[C@@H]2CCCO2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 1192485 ZJRJXMQHGGLBOM-LUKZVCJISA-N 396.394 3.804 30 40 GHEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC1CCCC1 3219560 OJDJIOYWGHXTHR-UHFFFAOYSA-N 380.469 3.925 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccnc1)c1cccs1 4538246 IBYKWVBTWXQRNB-SFHVURJKSA-N 376.437 3.922 30 40 GHEB CC[C@H](C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4738594 DBOKWBDQKRVFRX-KOOMBQASSA-N 393.443 3.810 30 40 GHEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1F 4816085 DECPGMVVOQRMDJ-UHFFFAOYSA-N 394.475 3.952 30 40 GHEB O=C(CON=C1c2ccccc2-c2ccccc21)Nc1ccc2c(c1)OCCO2 5460120 UULWEQSFQAHISX-UHFFFAOYSA-N 386.407 3.846 30 40 GHEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2 17016581 CBLSHPXGEFVYRK-RBZFPXEDSA-N 376.391 3.539 30 40 GHEB C=CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)c1nc2c(s1)CCCC2 24491823 HAEFJWJRBXRTKE-UHFFFAOYSA-N 381.505 3.753 30 40 GHEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N\CCCCO)ccc12 103266204 FXZJFGJHPBMCAW-JMIUGGIZSA-N 396.896 3.881 30 40 GHEB CC(C)(C)OC(=O)[C@H](C#N)C(=O)c1c(F)c(F)c(Br)c(F)c1F 255187180 BTQQTMPQBMEEIF-RXMQYKEDSA-N 396.134 3.670 30 40 GHEB CC1(C)SC(=S)N(/N=C/c2ccco2)[C@H]1N(O)C(=O)Nc1ccccc1 1055005 UVAHYLAZCRESMS-BGARDKSCSA-N 390.490 3.975 30 40 GHEB CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)CC(=O)O)cc1 1688152 ZWJIAMZFWPMDNW-UHFFFAOYSA-O 380.549 3.957 30 40 GHEB C=CCn1c(S)nnc1-c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3052094 CKBMQIYVPHQTPF-UHFFFAOYSA-N 393.299 3.937 30 40 GHEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O 3334670 IFMBUHVYNUHZRK-OAHLLOKOSA-N 379.485 3.552 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1Cl 5841270 WNZNWAFVJWIGGK-UHFFFAOYSA-N 380.787 3.866 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 6907752 PGIXTAUKFSKAOH-HNNXBMFYSA-N 379.489 3.954 30 40 GHEB Cc1c([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc(C#N)n1C 7088146 RQQABHIQBDAIBH-OAQYLSRUSA-N 386.411 3.705 30 40 GHEB C=CCSc1nnc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)s1 8881704 OOXXCRNFHIXWCM-VIFPVBQESA-N 382.492 3.844 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccncc1 12055712 ONHWABJAAUUFEG-UHFFFAOYSA-N 387.415 3.535 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 20064962 DEDLCLVZGIPHLH-HXUWFJFHSA-N 396.462 3.746 30 40 GHEB CSc1nc(O)c(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cc1C#N 71816290 OWLBBITXAZOTCZ-UHFFFAOYSA-N 397.500 3.681 30 40 GHEB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(CC)CCC#N 72308427 SKNJUOKXAMAEBI-UHFFFAOYSA-N 385.489 3.766 30 40 GHEB COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1cccc(Cl)c1 225861024 UNPPTBYYUDRMQX-UHFFFAOYSA-N 394.862 3.833 30 40 GHEB COCc1cc(C)nc(NN=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)c1C#N 253481332 CXOLTILXKGIIKD-UHFFFAOYSA-N 390.399 3.812 30 40 GHEB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCC#N 408800418 PCWLTVPWJYARDT-UHFFFAOYSA-N 398.439 3.890 30 40 GHEB COc1cccc(CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 3341381 QBNANXPMLMZQLR-UHFFFAOYSA-N 396.497 3.892 30 40 GHEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C[C@]12C#N 4199104 XJNIDPXCCOSCQA-QXAKKESOSA-N 397.573 3.785 30 40 GHEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(Br)c1O 5399132 LOQLWOYGNAKZPC-GIJQJNRQSA-N 375.226 3.876 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2Cl)c1 6304710 GUISHMWKADCDNK-HNNXBMFYSA-N 378.211 3.868 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccc(C)cc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 13424780 ITYCOBHEGFQMOE-KKLQWCBXSA-N 376.456 3.860 30 40 GHEB COc1ccccc1N/C(S)=N\[C@H](C)[C@@H](c1cccs1)N1CCOCC1 13878791 GNMFRKIFUKWMBP-KDOFPFPSSA-N 391.562 3.916 30 40 GHEB CCCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O 18107256 RYMLATUHIGRCHV-QGZVFWFLSA-N 383.473 3.723 30 40 GHEB CCOC(=O)COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408967876 XUSVQWBKNHXODW-LDADJPATSA-N 396.468 3.829 30 40 GHEB CCOc1cc(Br)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409105745 KHNUBHRKEBKVAE-GIJQJNRQSA-N 395.213 3.606 30 40 GHEB N#Cc1ccc(CN2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)c(F)c1 2087137390 OIRZTXNEGTUHTC-MAUKXSAKSA-N 390.384 3.822 30 40 GHEB CCOc1ccc2nc(SCC(=O)NCc3ccccc3)c(C#N)cc2c1 976342 LAFFHKBSYOBHEL-UHFFFAOYSA-N 377.469 3.914 30 40 GHEB N#CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 1093930 RAKWDQWMBUADHW-FGEXJBCWSA-N 390.442 3.757 30 40 GHEB Oc1ccc(Br)cc1/C=N\n1c(S)nnc1C1CCCCC1 1475371 MIZWXMCMOPAWGQ-MFOYZWKCSA-N 381.299 3.965 30 40 GHEB N#Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 3291429 DZUBXTGCTPQLJK-UHFFFAOYSA-N 375.457 3.747 30 40 GHEB Cc1ccc(/C(CN2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)=N\O)cc1 5745124 NOZXGYGSNGFYJO-VUSVCRIZSA-N 379.504 3.515 30 40 GHEB O=S(=O)(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1 5895924 DFTQCWJEAVYMKY-UHFFFAOYSA-N 383.311 3.540 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\CC(C)C)c2ccccc2)nc1 6408243 PMHLMYPQRSOBOI-ZBJSNUHESA-N 388.537 3.974 30 40 GHEB CC(=O)c1sc(NC(=O)COc2ccccc2C#N)nc1-c1ccccc1 7800049 VGXIKMPCPDEJPC-UHFFFAOYSA-N 377.425 3.902 30 40 GHEB C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@H]2C3=O)O1 8660420 JUVIOZPCNVVQFO-MAODMQOUSA-N 394.423 3.703 30 40 GHEB biogenic,in-vitro C=CCc1ccc(OCC(=O)Nc2cc3c(cc2Cl)OCO3)c(OC)c1 9690766 OPCQGRSYVYLGJO-UHFFFAOYSA-N 375.808 3.823 30 40 GHEB C/N=C1/S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1C 101167574 IVOHQDYMSYDGOA-CBFHDUEPSA-N 376.279 3.772 30 40 GHEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 224596989 MAGRGIMDCXMJMC-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB COC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242498711 HPMXGTLDTOSKPY-IPMKNSEASA-N 375.877 3.745 30 40 GHEB CCOc1ccc(C(=O)O)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 4746572 JCIDBCJZIHUYNB-UHFFFAOYSA-N 382.412 3.912 30 40 GHEB C=CCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 5274478 XIQBPOBMEMVBKZ-UHFFFAOYSA-N 396.512 3.505 30 40 GHEB C[C@H](C#N)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 32927624 FJCQHCNDBAHAMF-SSDOTTSWSA-N 386.098 3.536 30 40 GHEB C=CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Br)C1=O 409095007 GGYJBPNBHKRWDT-NTUHNPAUSA-N 384.251 3.689 30 40 GHEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409314469 KQOUYKOZKLBWEB-LBPRGKRZSA-N 385.265 3.950 30 40 GHEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(C)(CO)CO)n2)o1 573699704 MUOPAOVVSSGQEB-UHFFFAOYSA-N 386.395 3.624 30 40 GHEB N#CCCN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)c1ccccc1 3247990 YPRKEEFCRIOHLG-UHFFFAOYSA-N 392.242 3.679 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1 4312527 XLXLAPPQIURPMD-CRAIPNDOSA-N 399.468 3.514 30 40 GHEB COC[C@H](C)/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 7981681 GKTCJIVYXRWAIL-VORLENPISA-N 396.472 3.943 30 40 GHEB COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2ccc(C#N)cc2)cc1OC 11171067 FKRYXBUUJUCIBO-UHFFFAOYSA-N 396.443 3.917 30 40 GHEB O=C(CON=C1CCN(C(=O)Nc2ccccc2)CC1)NC1CCCCCC1 25150905 IJBGIRAXJHFKAU-UHFFFAOYSA-N 386.496 3.526 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccccc2C(C)C)s1 32891711 YFEQQPLWYRYFCD-UHFFFAOYSA-N 380.495 3.974 30 40 GHEB C=C(C)COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 40161647 PBTYUNOEONXYJW-UHFFFAOYSA-N 375.446 3.537 30 40 GHEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(OC)c1OC(C)=O 59418038 WKJBHTCNMROVMS-GZTJUZNOSA-N 398.440 3.521 30 40 GHEB O=C[C@H]1C[C@H]2[C@H]3[C@@H]1[C@@]1(Cl)C(Cl)(Cl)[C@@]3(Cl)[C@]3(Cl)[C@@H]2[C@]13Cl 103642863 HCTWZIFNBBCVGM-YJTREVOLSA-N 380.913 3.809 30 40 GHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218573190 RGWGKRYTQJXCPT-GBESFXJTSA-N 393.867 3.965 30 40 GHEB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 225705875 RLUKPBARYDDXJH-UHFFFAOYSA-N 387.486 3.511 30 40 GHEB CCOC(=O)Cn1cc(/C=N/Nc2nc3ccccc3n2C)c2ccccc21 408653478 JEKMBXXYYXNSIR-WSDLNYQXSA-N 375.432 3.537 30 40 GHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(N(C)C)cc1 409117214 NUWOVPAJAKBDQY-LPYMAVHISA-N 378.436 3.909 30 40 GHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1CC 409310168 RMONEVAXXAWBBR-UHFFFAOYSA-N 387.281 3.815 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](c2cccc(F)c2)C1 560676397 RKBOAWDQWSSKJR-PKOBYXMFSA-N 395.478 3.959 30 40 GHEB CCOc1ccc(/C=N\n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1OC 1300086 DZQDYRQZKWTMIO-NDENLUEZSA-N 384.461 3.906 30 40 GHEB CCNC(=O)[C@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 1440999 LJHUGUHRLLFLRU-XAIYEJPOSA-N 391.493 3.545 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)CSc3ccc(C)cc3)c2C#N)C1 5190883 NCAQJDUXXXOKHF-UHFFFAOYSA-N 385.514 3.564 30 40 GHEB C[C@](C#N)(NC(=O)CSc1nc2ccccc2n1-c1ccccc1)C1CC1 5623580 NKOLDPMVOCAIMD-OAQYLSRUSA-N 376.485 3.926 30 40 GHEB C=CCn1cc[n+](-c2nc3ccccc3nc2N=[S@](=O)(O)c2cccs2)c1 17044007 REDODOAASOUDEO-UHFFFAOYSA-O 398.493 3.587 30 40 GHEB C#CC(CC)(CC)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 17276829 INSNHVUJZNPIKA-UHFFFAOYSA-N 395.528 3.527 30 40 GHEB CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OC(F)F 23987190 YBPJYOARZQHDQR-UKTHLTGXSA-N 394.395 3.740 30 40 GHEB COc1ccccc1OCc1nc(SCc2ccccc2F)nc(N)c1C#N 223691245 ARMCLMWKFPZWEO-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(OCC)cc1 224586314 WASHQMXRIUCJFL-UHFFFAOYSA-N 389.473 3.643 30 40 GHEB C/N=C1/S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1C 408928358 AJOYRSSNDNHLFB-QSAFIDALSA-N 383.429 3.706 30 40 GHEB CCCCN=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC 2032946153 JUMQOMBRFKELOX-KRWDZBQOSA-N 391.537 3.924 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 4312525 XLXLAPPQIURPMD-MAUKXSAKSA-N 399.468 3.514 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)c(OC)c1 23114547 SXFBJUHWGVOXCY-LJQANCHMSA-N 391.423 3.532 30 40 GHEB O=C1C=CC(=O)C2=C1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 104080571 ZGKZODKOAMGYRM-AOOOYVTPSA-N 378.853 3.837 30 40 GHEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cc(Cl)cc(Cl)c1 408536632 SHEPIQHGBMYDPS-NBLIUIFLSA-N 394.258 3.579 30 40 GHEB N#C[C@@H](/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1)c1ccccn1 5571963 KZIGGHDFOZBVHI-DXXYHEOZSA-N 379.416 3.706 30 40 GHEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(F)cc1 224925561 BWKJVOGIYWJWHU-UHFFFAOYSA-N 385.844 3.878 30 40 GHEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 224740890 BQUXWFNQIXBVAR-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB C[C@@H]1CCc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c(C#N)c2C1 4072563 UOLRWBWZDKYMGH-GFCCVEGCSA-N 393.468 3.650 30 40 GHEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SC(C)C)nc(=O)c32)c1 937252 CBAYGLLQGXKTRW-INIZCTEOSA-N 397.500 3.844 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccccc1 1408275 XPDHSYAXXGVTTQ-LDADJPATSA-N 378.428 3.573 30 40 GHEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(=O)OC)cc1 4626405 NNECHDCPOBFQHY-HNAYVOBHSA-N 387.476 3.974 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 4865243 VNCJUQVTYRJBIQ-GOSISDBHSA-N 387.382 3.580 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 4944268 CLZJBIXHRYGEPY-MRVPVSSYSA-N 382.272 3.829 30 40 GHEB COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2OC)cc1 5000351 ZPWIEZTYACXXAL-UHFFFAOYSA-N 376.416 3.733 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 6427786 HTZXZYMGACNZQJ-HXUWFJFHSA-N 379.456 3.918 30 40 GHEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(Cc2ccco2)c1C 7927140 GGGVOFQFWFNIPQ-UHFFFAOYSA-N 382.489 3.750 30 40 GHEB N#CCCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 7982026 VFGVYWJHDNOKNN-UHFFFAOYSA-N 396.205 3.631 30 40 GHEB CN(C(=O)CN1CCn2cccc2[C@H]1c1ccccc1)C1(C#N)CCCCC1 12950968 FISPZIBTDPUCDW-JOCHJYFZSA-N 376.504 3.578 30 40 GHEB CCOc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608218 CIMVCQPWGHAUSD-MGPLVRAMSA-N 392.381 3.964 30 40 GHEB N#Cc1ccccc1CSCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 32736783 NEMLBWPHNKRUJW-UHFFFAOYSA-N 388.876 3.646 30 40 GHEB O=S(=O)(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccccc1 33860102 VBUXUIBABREPPX-DQVIVYRFSA-N 378.453 3.893 30 40 GHEB NC(=O)c1ccc(CNc2cccc(C#Cc3cccs3)c2)c([N+](=O)[O-])c1 36395520 DLTLCLYZDRLSRL-UHFFFAOYSA-N 377.425 3.767 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2c(C#N)cnn21 44890144 HKTQNQFSLMXTNM-FQEVSTJZSA-N 385.427 3.691 30 40 GHEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1O 59135900 DQLGVIIUYXIFCE-SDNWHVSQSA-N 382.416 3.931 30 40 GHEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2ccccc2C1 2325183 PCRJGJIYOXGVSN-GOSISDBHSA-N 386.455 3.751 30 40 GHEB CCC[C@H](OC(=O)C(F)(F)F)C1=C(Cl)CC(C)(C)[C@H](C(=O)OC)C1=O 3071557 RARXKXYVAQWDPT-ONGXEEELSA-N 384.778 3.542 30 40 GHEB CC[C@@]1(C)NC(=O)N(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1=O 3309713 CFNQXTQEHZFPOS-BCVDLATCSA-N 393.472 3.655 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(Br)cc1)NCC2 5428014 PZGIPTQFVQYCGL-WJDWOHSUSA-N 388.261 3.836 30 40 GHEB Cc1ccc(Cn2nc(C)c(/C=N/n3c(C)nc4ccccc4c3=O)c2C)cc1 6684361 MDIRQGKBBLLOGC-ZMOGYAJESA-N 385.471 3.757 30 40 GHEB C=C(Br)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21 7547168 UBSRQVAUTWZBLB-UHFFFAOYSA-N 388.265 3.901 30 40 GHEB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccc(C#N)cc4)C3=O)ccc2c1 9534632 PLQNRSUZTOGICX-HSZRJFAPSA-N 385.423 3.687 30 40 GHEB C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2ccc(C)cc2)nc1C 24927680 YANABNVSMSPUFA-UHFFFAOYSA-N 385.518 3.674 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 45603726 DGNPQGAGVZLKMI-UHFFFAOYSA-N 388.876 3.883 30 40 GHEB CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 78902588 VALRIQMLFSHWJE-UHFFFAOYSA-N 379.869 3.843 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccccc2F)no1 102798880 CCGBKSFMENZCHR-IBOXJLQUSA-N 384.388 3.810 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102801854 WOJGZDWMHUACAQ-CEKHLOFYSA-N 377.440 3.596 30 40 GHEB CCOc1ccccc1/C=C1\SC(=Nc2ccc(OC)c([N+](=O)[O-])c2)NC1=O 408992909 UYJOJCIKHIXSJL-YVLHZVERSA-N 399.428 3.894 30 40 GHEB C=CCN(CC=C)C(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408998011 PVCVPKLDGJYIQH-UHFFFAOYSA-N 392.484 3.925 30 40 GHEB CCc1ccc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1 409406680 KREASMAJNGZWNX-YHDSQAASSA-N 387.483 3.798 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N\c1ccccc1 2141838 AFEZZAWPSXSXTJ-IECUCWQJSA-N 398.484 3.954 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1coc(-c2cccs2)n1 10879959 JNRXMCHJVDOHHX-UHFFFAOYSA-N 378.413 3.897 30 40 GHEB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 21678246 WEUAZNQKMLJVOD-MRXNPFEDSA-N 375.428 3.589 30 40 GHEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507930 VCQYADFCGPPAJC-ZNWLFMFGSA-N 394.562 3.602 30 40 GHEB C=CCc1cc2c(cc1C(C(=O)O)c1cc3c(cc1CC=C)OCO3)OCO2 85391982 BEJYWGLEECQKDL-UHFFFAOYSA-N 380.396 3.818 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)c1 96336511 ISBNKGKQLWKJEP-OAHLLOKOSA-N 382.397 3.528 30 40 GHEB O=C(Oc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1)c1cccc(F)c1 408896109 MWRSGIGENJYAHQ-SSDVNMTOSA-N 380.335 3.794 30 40 GHEB Oc1cc(O)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409038105 DOCNPWOQLXIROG-OQOIWIOPSA-N 399.060 3.574 30 40 GHEB C=CC[C@@]1([C@@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)C[C@H](OC)C=CC1=O 6487511 LOEYSVINYLTHMX-RBLYABSFSA-N 386.444 3.762 30 40 GHEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc(S(N)(=O)=O)cc1 18062358 FTAOJLOEGLMPDI-WCWDXBQESA-N 396.476 3.692 30 40 GHEB O=C1CCCC2=C1[C@@H]([C@H]1CC=CCC1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673971 CAPVEHCSKDCDTB-WMLDXEAASA-N 380.492 3.633 30 40 GHEB C=CCc1ccccc1OC[C@H](S)CN1CCN(Cc2ccccc2)CC1 22872250 ABEOVEOPJGXRFJ-JOCHJYFZSA-N 382.573 3.910 30 40 GHEB N#Cc1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)cc1C(F)(F)F 95468063 OMVMESJURIASJI-UHFFFAOYSA-N 391.374 3.654 30 40 GHEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1OC 408930377 WEXSQKJZPTUPIM-AXMBFVIUSA-N 378.881 3.673 30 40 GHEB COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)ccc1C 409060369 RDTKEZCYKLWAGU-CZZIWQEQSA-N 382.441 3.936 30 40 GHEB CCOC(=O)Cn1c(C)c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21 409180486 YGYCTLJEOFSVSG-WSDLNYQXSA-N 375.432 3.835 30 40 GHEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1OC)C2 100765801 SHXYWAPSDQKEMD-WOJBJXKFSA-N 377.484 3.722 30 40 GHEB CCOc1cc(/C=N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)ccc1O 3236773 MAPPGYGJXKRJCW-DNTJNYDQSA-N 378.215 3.873 30 40 GHEB N#Cc1cccc([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)c1 58048287 ZUGRNQVAMVISSO-DEOSSOPVSA-N 383.451 3.768 30 40 GHEB N#Cc1ccc(Cn2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1 2292066 QSUIVPDUKOHQPX-UHFFFAOYSA-N 379.217 3.560 30 40 GHEB N#Cc1c(NC(=O)COCc2cc(-c3ccco3)on2)sc2c1CCCC2 20479728 FPGPXHKNWPVYNI-UHFFFAOYSA-N 383.429 3.902 30 40 GHEB O=C1N/C(=N/N=C/c2ccccn2)S[C@@H]1Cc1ccc(SC(F)F)cc1 11990791 SZKAMJJKBNDZTB-YVJZOELXSA-N 392.456 3.561 30 40 GHEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OC)c1 4626433 VSSAUAPBRXWTHR-KUHUBIRLSA-N 375.465 3.902 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccncc1 6907779 AUPUKQIYSQWPDY-HNNXBMFYSA-N 391.500 3.596 30 40 GHEB COc1cc(/C(C)=N/Nc2ccc(Cl)c(C(=O)O)c2)cc(OC)c1OC 4924483 BZDRPYIYXFLMLN-KEBDBYFISA-N 378.812 3.900 30 40 GHEB Cc1nn(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(=O)c(C#N)c1C 7384748 HKLBPIRJWMRHNN-UHFFFAOYSA-N 382.423 3.763 30 40 GHEB COc1ccnc(Oc2ccccc2)c1C(=O)/N=C\NOCc1ccccc1F 17992748 AGMBCXJFPCZASO-UHFFFAOYSA-N 395.390 3.912 30 40 GHEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c1 408845006 JLUBSPJIJYYFAE-DNTJNYDQSA-N 382.199 3.994 30 40 GHEB COc1ccccc1Nc1nc(N)nc(CSCc2ccc(C#N)cc2)n1 9909602 QFEPULLNSCUILQ-UHFFFAOYSA-N 378.461 3.511 30 40 GHEB N#Cc1cc2c(nc1SCC(=O)c1cc3ccccc3oc1=O)CCCC2 1243650 LYXJJAFLJYKUBN-UHFFFAOYSA-N 376.437 3.913 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 2063667 QZFQTBALAXBUTK-HXUWFJFHSA-N 397.471 3.973 30 40 GHEB Cc1c(/C=N/c2ccc([N+](=O)[O-])cc2O)c(O)n2c(nc3ccccc32)c1C#N 5276867 NJQXCFYOPNPIRJ-LSHDLFTRSA-N 387.355 3.738 30 40 GHEB CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@@H]1c1ccccc1 5348014 VQWMAWPWLOAWPL-GOSISDBHSA-N 383.411 3.574 30 40 GHEB CCOc1cc(C(=O)Oc2ccc(C#N)cc2OC)cc(OCC)c1OCC 5511467 CAXHKQMYFLBZDO-UHFFFAOYSA-N 385.416 3.982 30 40 GHEB CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1ccccc1 5673259 FYQXFISSEGHYJI-FSJBWODESA-N 386.839 3.670 30 40 GHEB CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)cc1 6693408 FSKHQWDUHLJRIT-HNNXBMFYSA-N 396.516 3.699 30 40 GHEB N#Cc1nc(-c2cccs2)oc1S(=O)(=O)c1ccc(Br)cc1 27664472 AZWKNUSTYJHVCY-UHFFFAOYSA-N 395.259 3.870 30 40 GHEB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N/N=C1/C[C@H]2CC=C[C@@H]12 38387134 KLANTZAZLUKKIA-QGMLAMFLSA-N 398.444 3.760 30 40 GHEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(CCc2ccccn2)CC1 96345988 KNDZVZRGLBDYCA-LEWJYISDSA-N 399.498 3.577 30 40 GHEB COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103750606 XEWCYUIEMHPGPL-LVZFUZTISA-N 399.359 3.717 30 40 GHEB O=[N+]([O-])c1cccc(CO/N=C/c2cccc(I)c2)c1 408593081 OVJPRGLLYOZAPK-CXUHLZMHSA-N 382.157 3.750 30 40 GHEB COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408786281 OFQVRZZKIFCWPE-FYJGNVAPSA-N 384.457 3.826 30 40 GHEB COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1I 408913464 UYVLMBYDPVXROB-SXGWCWSVSA-N 397.172 3.654 30 40 GHEB Cc1cc2nc3s/c(=C\c4cn(CC#N)c5ccccc45)c(=O)n3c2cc1C 409394258 XUJNNHIRCVUGJP-JAIQZWGSSA-N 384.464 3.552 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O 981561 LHGHHPOSWCQTQA-GZTJUZNOSA-N 381.409 3.711 30 40 GHEB Cc1ccc(CNC(=O)c2ccccc2NC(=O)COc2ccc(C#N)cc2)cc1 3361145 JQUHTKMXYJERCM-UHFFFAOYSA-N 399.450 3.814 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)COc1ccc(Cl)cc1C)NCC2 5429385 MBVZNEVQSQJVSE-ZDLGFXPLSA-N 387.863 3.800 30 40 GHEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C)cn3)c(=O)oc2c1 6719101 GCIJUZOTIGOVEW-UHFFFAOYSA-N 378.428 3.941 30 40 GHEB CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 11092802 DRPXGGHMOHKAEJ-QVKFZJNVSA-N 379.460 3.643 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 11859771 RAQQIDWQCMOBRE-CJGMICOPSA-N 386.498 3.676 30 40 GHEB COc1nc(N/N=C/c2cccc(Cl)c2Cl)nc(N2CCCCC2)n1 59639252 KYECTZQUOLRLKP-VXLYETTFSA-N 381.267 3.623 30 40 GHEB Cc1[nH]c(CN(C)C(=O)Nc2cccc(C#N)c2)nc1-c1cccc([N+](=O)[O-])c1 97000814 XFFVGULWSVIYGK-UHFFFAOYSA-N 390.403 3.829 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)O)cc1 102490138 QOTFBGHLMQGEAQ-SELCWUDQSA-N 399.830 3.545 30 40 GHEB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC#N 409007660 QNRSFYYMKFBMQE-RGEXLXHISA-N 394.452 3.877 30 40 GHEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)c1 575614286 YNADMVSCIXMVKY-KRWDZBQOSA-N 389.377 3.585 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1Cl 2503493 SVVYRHSQUUDCDZ-INIZCTEOSA-N 376.865 3.719 30 40 GHEB C/C(=C/C(=O)c1ccccc1)NCCNc1c(F)c(F)c(CO)c(F)c1F 4939796 BRHDXMIVGXPVQF-LUAWRHEFSA-N 382.357 3.524 30 40 GHEB C=C(C)CN(CC)C(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1 12885222 NRGFCJDUZGJDAE-ZDUSSCGKSA-N 379.457 3.865 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccc(OCc2ccccc2)cc1 100199216 KNCBQTFWQZHXCK-RDFFOGRMSA-N 398.462 3.653 30 40 GHEB N#C[C@@]1(C(=O)O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218465287 AAMLPQFULJKIJD-HLLBOEOZSA-N 396.251 3.528 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(Cl)cc3Cl)C2=O)c1 408531861 HJUFOEONLQZCDG-ZDUSSCGKSA-N 390.226 3.903 30 40 GHEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C(F)(F)F)C2=O)cc1 408537489 VRPDZLATYHVAFH-ZDUSSCGKSA-N 389.333 3.615 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc([N+](=O)[O-])ccc1O 409406929 RRXCTYBDVNLTSG-UHFFFAOYSA-N 386.367 3.560 30 40 GHEB N#CC1(NC(=O)CN(CCCO)Cc2ccc(Cl)c(Cl)c2)CCCCC1 78772702 ZNMKCARYBJUDFN-UHFFFAOYSA-N 398.334 3.520 30 40 GHEB COc1ccc2nc(SCC(=O)Nc3nc(C)c(C)s3)c(C#N)cc2c1 1354600 HHCAFTSAMOPDGT-UHFFFAOYSA-N 384.486 3.919 30 40 GHEB C=CCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21 2227874 YNTNGPAHNXHCCJ-IBGZPJMESA-N 383.245 3.699 30 40 GHEB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc21 5490728 YXUWRQHQVCRGJB-RNODOKPDSA-N 396.520 3.534 30 40 GHEB CC(C)N(c1cccc(C#N)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 68918909 TVTDQFBSYPMPKJ-UHFFFAOYSA-N 379.825 3.724 30 40 GHEB N#Cc1ccc(N2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)nc1 71890500 HSOUOEYIQQLPAX-QGZVFWFLSA-N 375.407 3.916 30 40 GHEB Ic1ccc(/N=C\c2ccc(N3CCOCC3)cc2)cc1 409101202 AKFHUJIEBXSHAX-UYRXBGFRSA-N 392.240 3.878 30 40 GHEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)N1C 408930168 SUFLBJGHNKBEPH-XTJABLFPSA-N 393.468 3.678 30 40 GHEB CCC(=O)OCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19794143 YGVSDJJHEUPZBL-UHFFFAOYSA-N 376.869 3.756 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCSc2ccccc21 31792086 JPNNNBRRGBEDPU-GOSISDBHSA-N 391.500 3.504 30 40 GHEB N#Cc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 3255051 QAFJFIQUEOSHAS-UHFFFAOYSA-N 398.462 3.987 30 40 GHEB N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 7988728 HZQOLTNBYMLUEK-INIZCTEOSA-N 383.473 3.557 30 40 GHEB C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 9420136 BNHKRLIBWBLXOX-NUEDXCKTSA-N 389.201 3.917 30 40 GHEB C[C@H](C(=O)Nc1sccc1C#N)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12936129 GPBCETUJPBBRPG-RHSMWYFYSA-N 397.500 3.945 30 40 GHEB CN1C/C(=C/c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 17250535 KFJPMPQKBODYEB-TVGQLCNQSA-N 375.516 3.800 30 40 GHEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(=O)O)cc1)C1=C(CCCC1=O)N2 18198369 GJWRLPLRSDAMCB-IBGZPJMESA-N 379.412 3.967 30 40 GHEB COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084953 MOVWAKDRFPDFKN-PGMHBOJBSA-N 395.242 3.996 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(S[C@H](C#N)Cc2ccc(C)cc2)nc1 54169692 FFODWEXLJOMHLL-KRWDZBQOSA-N 389.546 3.648 30 40 GHEB CCCCCCCCCCCCCC(=O)Cc1c(OC)n(C)c(=O)n(C)c1=O 70672583 RAGUSBBLNDPAQB-UHFFFAOYSA-N 394.556 3.905 30 40 GHEB biogenic COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCC#N 408864574 XQOLAMWTGOYGKD-BOPFTXTBSA-N 383.404 3.628 30 40 GHEB CC(C)(C#N)CCCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 595736161 WYHNKDNBKGTNII-UHFFFAOYSA-N 376.508 3.790 30 40 GHEB CC(C)(C)c1cc(/C=C2\S/C(=N/CCCO)NC2=O)cc(C(C)(C)C)c1O 618254722 HFHFBEMRERENLE-VBKFSLOCSA-N 390.549 3.930 30 40 GHEB C=C(C)CSc1ncc(C(=O)OC)c(=O)n1-c1ccc(C(F)(F)F)cc1 2087110013 UCQXYRVPGFJEFX-UHFFFAOYSA-N 384.379 3.706 30 40 GHEB Cc1cc(C)nc(N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)n1 3219718 NRZNSHCXIWQXFW-XTONLTPISA-N 389.503 3.955 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc(C)cc2c1=O 4552557 RZTDUCWZHSJCNT-UHFFFAOYSA-N 386.498 3.936 30 40 GHEB CC[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 4940437 FFNJZZGPBUHMTG-NSJLDRRZSA-N 382.445 3.839 30 40 GHEB N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c1CCCC2 10218302 DXZQEUYURHIDPU-UHFFFAOYSA-N 388.514 3.691 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10638679 OPNQIOIMZPGCGG-KGLIPLIRSA-N 398.413 3.990 30 40 GHEB COc1ccccc1OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 13624367 XRKMJWWQHJENDQ-UHFFFAOYSA-N 379.416 3.644 30 40 GHEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccco2)C3)c1 20719396 XEIDPQDNCQZQQV-XIKOKIGWSA-N 378.388 3.651 30 40 GHEB Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2[nH]c(N3CCCCC3)nc(=O)c21 22607101 KKLLPCKJEWVHAU-INIZCTEOSA-N 396.516 3.695 30 40 GHEB C[C@H](OC[C@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)ccc1Cl 84001569 YAGSEQMUFAIDOR-CMPLNLGQSA-N 396.292 3.613 30 40 GHEB Cc1ccc(C2(c3ccc(C)c(O)c3)OS(=O)(=O)c3ccccc32)cc1O 98074334 SHCNHPJTHFRBEZ-UHFFFAOYSA-N 382.437 3.725 30 40 GHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218572846 DJLNZCHPUUSVRH-GBESFXJTSA-N 393.867 3.965 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(C(F)(F)F)c3)C2=O)c1 408537081 UMCQBZVSIGGTKP-OAHLLOKOSA-N 389.333 3.615 30 40 GHEB C[C@]1(Cl)C(=O)C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)[C@]1(C)Cl 4387360 KIIBTDLCWOAIKI-HCQLAHMTSA-N 380.680 3.517 30 40 GHEB Fc1ccc(Nc2nc(N/N=C/c3ccco3)nc(N3CCCCC3)n2)cc1 4535521 ANDCOOMDDOLLRM-FYJGNVAPSA-N 381.415 3.784 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nncn2-c2ccccc2)c1 4835161 WDIAEDQHWIYXIU-UHFFFAOYSA-N 391.500 3.923 30 40 GHEB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 5244363 DFUBUITZNPGSKJ-UHFFFAOYSA-N 395.802 3.971 30 40 GHEB O=C1C2=C(C(=O)c3ccccc31)[C@@H](c1ccccc1O)c1sc(=O)[nH]c1S2 6590794 VNRNZTSGJZBCHH-CYBMUJFWSA-N 393.445 3.713 30 40 GHEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 18222035 YGWUEIKJBWTKOE-XCLFUZPHSA-N 378.382 3.972 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1OC 89429198 NXAJMZKXBASLQI-GOSISDBHSA-N 391.471 3.915 30 40 GHEB C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)/C(=N\CCc2ccccc2)S1 102776681 FRMZGQPKTZSYEQ-LSJZCYCUSA-N 396.512 3.563 30 40 GHEB CCNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 108027849 GKGZTVAPLPJVDR-CNHKJKLMSA-N 387.248 3.980 30 40 GHEB COC(=O)c1ccc(N=C2NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 408822239 LHNQWTAWPVKBIB-WQRHYEAKSA-N 391.452 3.857 30 40 GHEB O=C(O)CCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1 4953148 RSOOWNOHGPIGRP-ARKBFRDHSA-N 391.423 3.529 30 40 GHEB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(C#N)c3)CCCC2)c1 12798947 XEAYMJBERURSNC-UHFFFAOYSA-N 382.485 3.900 30 40 GHEB CN(C)/C=C(\C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccc(Cl)cc1 4343975 UMPXLTMEDZSVDN-LFIBNONCSA-N 388.258 3.755 30 40 GHEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 96336436 DKWDAOZQOZYJGL-MRXNPFEDSA-N 392.238 3.564 30 40 GHEB COc1ccc2nc(SCC(=O)Nc3c(C#N)oc4ccccc34)[nH]c2c1 8134324 RQTGFQUKQASYRG-UHFFFAOYSA-N 378.413 3.920 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(C(F)(F)F)c3)C2=O)c1 408537079 UMCQBZVSIGGTKP-HNNXBMFYSA-N 389.333 3.615 30 40 GHEB N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C1)CCOC2 572333085 CLZORHQUJVQPJU-AUSIDOKSSA-N 388.515 3.517 30 40 GHEB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1=O 21759675 CFIRFIZQDSPAPD-UOCRBVKVSA-N 397.519 3.614 30 40 GHEB C=CCc1cc(C)ccc1OC[C@@H](O)CN1CCN(c2ccc(C)cc2)CC1 23212020 KZGLPIZNAHLYQO-QHCPKHFHSA-N 380.532 3.594 30 40 GHEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1cc(Br)cs1 52847760 YYBQTJNVJBFJLA-LLVKDONJSA-N 378.295 3.841 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 784858 KBFGGVBJOJUAJD-UHFFFAOYSA-N 385.876 3.967 30 40 GHEB C=CCn1c(SCc2c(C)noc2C)nnc1[C@H]1COc2ccccc2O1 4195360 TYQNXYVZANKAGG-QGZVFWFLSA-N 384.461 3.874 30 40 GHEB C=CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1 4285552 VVTUTYUORNNZHB-UHFFFAOYSA-N 381.486 3.795 30 40 GHEB CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)N1CCOCC1)C2=O 4478791 RBCZIXQYJKEDSU-MOSHPQCFSA-N 395.411 3.533 30 40 GHEB CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3O)NC2=O)cc1 6264736 JXDGRBMZFUNUIN-KWJZBXMYSA-N 381.501 3.899 30 40 GHEB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1ccc(C#N)cc1 7990814 USYOERYLHUHEHD-UHFFFAOYSA-N 399.516 3.744 30 40 GHEB COC(=O)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 9421922 PGCHPUUWYSZBFA-VXLYETTFSA-N 377.396 3.655 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)C(=O)NC1=S 12362903 ZZJAJDSOJNKVCE-PDGQHHTCSA-N 393.512 3.524 30 40 GHEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc2ccccc2c1 13165385 MLANHXPZROPLNN-UHFFFAOYSA-N 393.468 3.563 30 40 GHEB C=CCOc1ccccc1CN1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 19129347 IHIFZMILNNWFKJ-QGZVFWFLSA-N 377.492 3.564 30 40 GHEB COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(OC)c1OC 23080974 RHLQXULWNMRTME-UHFFFAOYSA-N 393.361 3.513 30 40 GHEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1 46084777 GUQGOWHSONUOTE-QOCHGBHMSA-N 397.431 3.886 30 40 GHEB CCOc1ccc2nc(N/N=C3\C(=O)N(c4ccccc4)N=C3C)sc2c1 100247587 YMPOYFHZUCKSFI-FXBPSFAMSA-N 379.445 3.886 30 40 GHEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224896148 WQGNANMSPBYMTB-UHFFFAOYSA-N 378.881 3.988 30 40 GHEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(C(F)(F)F)c3)C2=O)cc1 408535713 ONDYVVDHYHZWMF-HNNXBMFYSA-N 389.333 3.615 30 40 GHEB C=CCn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc21 409098496 QMRUTZPDMBPTCI-LICLKQGHSA-N 384.457 3.815 30 40 GHEB C=CCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 2113914 VGHHUCJSBOPGDJ-LJQANCHMSA-N 391.456 3.656 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 3235603 NVPUBYGUEKAICC-UHFFFAOYSA-N 398.724 3.906 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4cccnc4)nc13)O2 5348649 HIAGFSBWKDNSOS-GOSISDBHSA-N 395.422 3.718 30 40 GHEB CC(C)C(=O)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F 5481668 VISPEFMAVYIQRR-KCJUWKMLSA-N 378.288 3.552 30 40 GHEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)o2)cc1OC 7734671 CZIOHJJIRRXBFX-SFHVURJKSA-N 385.460 3.983 30 40 GHEB Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 8209337 RXFGSJYSGINWIC-UHFFFAOYSA-N 391.518 3.560 30 40 GHEB C=CCN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc(OC)cc1 12946375 KLJFRQKSOWDUCH-UHFFFAOYSA-N 384.457 3.727 30 40 GHEB N#Cc1c(OCC(=O)Nc2nccs2)nc(-c2ccccc2)c2c1CCC2 32104355 USVYDKQDAKOAOM-UHFFFAOYSA-N 376.441 3.583 30 40 GHEB Cc1cn2c(/C=C/C(=O)c3ccc(N4CCOCC4)c(F)c3)c(C)nc2s1 32853617 XMDIEDQDISWRAK-AATRIKPKSA-N 385.464 3.884 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 102526489 PCYSCKPTNDPVOY-NHFXJNLRSA-N 389.407 3.910 30 40 GHEB CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCCN(CC)CC 102519955 PBGSDXDEFJTRHP-RCCKNPSSSA-N 387.484 3.589 30 40 GHEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCc2ccccc2C1 12659755 QRQMVOJVQOCKSG-KVOBWYIXSA-N 381.516 3.572 30 40 GHEB biogenic C#CCOc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)c1 100763619 XSUCPPCXDCXLES-NHCUHLMSSA-N 377.484 3.722 30 40 GHEB Cc1ccc(-c2nc(SCC(=O)Nc3cccc(C)c3)[nH]c(=O)c2C#N)cc1 5238300 LAOFHCIGCREPPH-UHFFFAOYSA-N 390.468 3.656 30 40 GHEB N#Cc1ccc(CN2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)cc1 14138887 SAQYMNSZCCZAQB-UHFFFAOYSA-N 397.404 3.842 30 40 GHEB CCCCn1c(O)c(/C(O)=N/c2ncc([N+](=O)[O-])s2)c(=O)c2ccccc21 6783384 UWVKBQLCMSSEGF-UHFFFAOYSA-N 388.405 3.508 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OC(=O)COc1cccc(F)c1 7595832 ZWEVOPAOZQMQFM-UHFFFAOYSA-N 394.196 3.843 30 40 GHEB CCCN1CNC(=Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)NC1 8742735 XGJKEJWZZYIHNW-UHFFFAOYSA-N 380.883 3.758 30 40 GHEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409321512 SZDDPHGLBOGRKQ-UHFFFAOYSA-N 385.265 3.779 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1)S(C)(=O)=O 44903781 MEWPNAZMHXHFKN-FQEVSTJZSA-N 386.517 3.828 30 40 GHEB N#CCn1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[nH][nH]2)cc2ccccc21 610714631 AZKCRBZNFPIFED-UHFFFAOYSA-N 377.354 3.507 30 40 GHEB N#Cc1cccc(C2(NC(=O)Nc3cccc(OCCF)c3)CCOCC2)c1 585100350 SDANELSVUFSUEB-UHFFFAOYSA-N 383.423 3.734 30 40 GHEB N#C[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2c3ccccc3C=CN21 15998832 DVDPJVLXKDRKAQ-MYDTUXCISA-N 391.430 3.879 30 40 GHEB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=N\Nc3cccc(C)c3)o2)cc1 16349741 ITSMDGKHHPAPFT-BKUYFWCQSA-N 397.456 3.526 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C2\C=C(Br)C(=O)c3ccccc32)cc1 18209572 WFRSUEPMBMMXGQ-KNTRCKAVSA-N 390.258 3.648 30 40 GHEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 5254486 VPLFJXPNTYMQLR-UNOMPAQXSA-N 395.411 3.930 30 40 GHEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 40283532 XHHXQOAZAOCSSC-SGTLLEGYSA-N 378.388 3.651 30 40 GHEB CC(=N\Nc1ccc(OC(F)(F)F)cc1)/C(=N/O)C(=O)Nc1ccccc1 100066967 WMFLQNISBWTCFH-AGLMHXQDSA-N 380.326 3.842 30 40 GHEB Cc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)C[C@H](C)CC4)C2=O)cc1 688181 PRNNTINGHVBPPU-AUUYWEPGSA-N 391.496 3.811 30 40 GHEB CCc1nnc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)s1 1354438 GQWWMYJKPCLKDR-UHFFFAOYSA-N 383.502 3.868 30 40 GHEB COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(CCC#N)c3C)C2)cc1 8636085 UJLQHXHBJNYRCJ-SJLPKXTDSA-N 379.464 3.656 30 40 GHEB biogenic,in-vitro Cc1nc2ccccc2c(C)c1CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 12528498 HCVHMAPYEAIUHP-QGZVFWFLSA-N 393.487 3.669 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccccc2)s1 102797676 WCCGBZNCQJQWKU-UYTDBDHRSA-N 395.415 3.612 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 3364118 BRLQPMCYTLZCFE-MRXNPFEDSA-N 378.548 3.810 30 40 GHEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cc3ccccc3oc2=O)c1C#N 2757034 XGKNRRYJFAXGHE-UHFFFAOYSA-N 396.424 3.852 30 40 GHEB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1 96002686 DGVIKXJATUELEU-KRWDZBQOSA-N 378.398 3.507 30 40 GHEB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1O 4690361 BKONDYIZQPKAKF-VCHYOVAHSA-N 380.425 3.899 30 40 GHEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 6758275 PSQCBFSUPJANGD-PZJWPPBQSA-N 395.411 3.923 30 40 GHEB O=S(=O)(c1ccccc1)N1CCC[C@@H](/C(O)=N/c2cccc3ncccc23)C1 9341961 HBLXNQMPDSMODH-MRXNPFEDSA-N 395.484 3.924 30 40 GHEB COc1ccc2cc(CN(C)C(=O)COC(=O)c3cccc(C#N)c3)ccc2c1 7329150 FVSMAKGQFFBHKV-UHFFFAOYSA-N 388.423 3.535 30 40 GHEB CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1Br 33643874 CIAILRIGYLEMGB-ODLFYWEKSA-N 377.238 3.837 30 40 GHEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3F)CC2)s1 224233401 FLMOSFINHNJQED-UHFFFAOYSA-N 392.525 3.806 30 40 GHEB COc1ccc(/C(Cc2ccccc2)=N\NS(=O)(=O)c2ccc(C)cc2)cc1 5640230 HMYVHPKTIPTTSX-FCQUAONHSA-N 394.496 3.929 30 40 GHEB N/N=C(/C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 16400106 FJTDJCVSPDTPEF-QGOAFFKASA-N 382.055 3.757 30 40 GHEB CC1(C)Cc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C(C)(C)N1 9176050 JQMZOJRNZHZENY-UHFFFAOYSA-N 383.473 3.760 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 4936536 QADRRYXAUDPJIU-UHFFFAOYSA-N 381.299 3.574 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccncc1 5314091 NMUQWPPNUHQJLP-UHFFFAOYSA-N 398.492 3.542 30 40 GHEB COC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(C#N)cc2)cc1 12660664 ZFRIESNDJBLNPY-XTCLZLMSSA-N 395.418 3.952 30 40 GHEB C#CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1 13994514 GJQXRMYVWXFELL-OAQYLSRUSA-N 379.456 3.609 30 40 GHEB COc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165052 ZTLBWIYVBPTPTQ-VFZGTOFNSA-N 378.354 3.574 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 17246312 TYSKUYNPEINJSL-HXUWFJFHSA-N 395.455 3.699 30 40 GHEB CN1/C(=C\C(=O)COC(=O)c2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21 32941929 PQEYETABINEADL-UNOMPAQXSA-N 380.400 3.632 30 40 GHEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1nccs1 96026155 FQOCROWPZDEFGR-DLFJBECYSA-N 386.502 3.598 30 40 GHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC)c(OC)c1 100514254 OUAOTNJQFNULNJ-NRFANRHFSA-N 397.471 3.791 30 40 GHEB CN1C(=O)/C(=C/c2ccccc2F)S/C1=N/c1ccc(N2CCOCC2)cc1 101695119 QTXUQXMJZCGRAR-QUUARBKMSA-N 397.475 3.896 30 40 GHEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 224962973 DSFDHQYDDKIDPX-UHFFFAOYSA-N 395.864 3.501 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2C(F)(F)F)C1=O 408536436 RIZMKZOJHXZUCQ-GFCCVEGCSA-N 389.333 3.615 30 40 GHEB COC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 2130032 VBNURSGTDBAIQT-CFFVULROSA-N 378.380 3.562 30 40 GHEB biogenic CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1 4126022 AXSOTFFRJJXBOC-OAHLLOKOSA-N 376.206 3.527 30 40 GHEB CSc1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 5054662 QQYWKURLGIEHEL-LNKGRISISA-N 378.457 3.917 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2)cc1OC 5429428 BEHCXEAHNNIFAI-XYOKQWHBSA-N 381.428 3.764 30 40 GHEB CCOc1ccc(C[C@H]2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)cc1 5713315 MYCUCHWPSKVSSI-ZMPUUUETSA-N 385.464 3.779 30 40 GHEB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCCCC3)[nH]n2)cc1 11494572 QEQRVMPXYPDSKP-INIZCTEOSA-N 394.475 3.615 30 40 GHEB COc1cc(OC)cc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 13479746 CRYWRILZWVNKGC-ZRBLBEILSA-N 399.450 3.694 30 40 GHEB biogenic CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1 14185968 JVFZVASFZAARDV-LFYBBSHMSA-N 393.361 3.948 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)c(OC)c1 23114548 SXFBJUHWGVOXCY-IBGZPJMESA-N 391.423 3.532 30 40 GHEB CCOC(=O)c1cc(C#N)c(SCCOc2ccccc2Cl)nc1N 32719327 IONVBUSTMCHTJQ-UHFFFAOYSA-N 377.853 3.537 30 40 GHEB N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSc1ccccn1)CCCC2 33143968 LIBIUSIHFACMRD-HNNXBMFYSA-N 396.516 3.543 30 40 GHEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H]1c1ccsc1 58232333 DDOCGPFNBMMULN-SFHVURJKSA-N 377.473 3.581 30 40 GHEB N#C[C@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CCN1Cc1ccccc1 95453843 RSCPABJJAJWFSC-NRFANRHFSA-N 391.906 3.940 30 40 GHEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218385517 FECUZVSYGSPPAZ-HZPDHXFCSA-N 377.252 3.967 30 40 GHEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 2405050 QGLGCYUOLTUSNZ-LJQANCHMSA-N 377.396 3.541 30 40 GHEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1 3390204 RYRORMLYNUWPPL-UHFFFAOYSA-N 395.488 3.649 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 4863606 YMMOOJPJQRIRSF-VCHYOVAHSA-N 393.808 3.697 30 40 GHEB Cc1cc(NC(=O)Nc2ccc(C#N)cc2)c(=O)n(Cc2ccccc2F)c1 5000860 GIGGZZGDKLLSIT-UHFFFAOYSA-N 376.391 3.860 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1 32561921 JSNIKQICXLOQAX-JCMHNJIXSA-N 380.469 3.886 30 40 GHEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)C2(c3ccc(F)cc3)CCC2)cc1 48472873 YTOCNGRXXRUZBU-UHFFFAOYSA-N 375.421 3.795 30 40 GHEB CC(C)(C)NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576241 XGVHKZFCNJODGD-ZCFIWIBFSA-N 385.173 3.936 30 40 GHEB biogenic Cc1oc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c(C#N)c1C 96941421 CGGZHKFCMBNMFY-AWNIVKPZSA-N 387.442 3.505 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 100201483 BNGCXIRZEOVYLM-UYZFILPBSA-N 392.842 3.987 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 102856748 NVBBBNDSYHWJAH-YDJIHCHBSA-N 396.462 3.508 30 40 GHEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 225258530 HZUODQZDYMSOBT-UHFFFAOYSA-N 396.468 3.565 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2ccc(Br)cc2)nc1 4083852 PLEKPXADMCCCEG-YBFXNURJSA-N 386.209 3.989 30 40 GHEB O=C(Nc1ccccc1)/C(=N/Nc1cccc(C(=O)O)c1)C(=O)c1ccccc1 5753173 YISUOIYUBJKSGE-NCELDCMTSA-N 387.395 3.674 30 40 GHEB COc1ccccc1C(=O)O/N=C1\CCc2c(Br)ccc(OC)c21 10039256 GMQKIFJDKWMFRB-XSFVSMFZSA-N 390.233 3.974 30 40 GHEB COc1cc(Br)cc(/C=N/CCNc2ccc([N+](=O)[O-])cc2)c1O 16194942 CHWRVMZGNBOGAF-VCHYOVAHSA-N 394.225 3.603 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1)c1ccccc1 17180725 ANGTVFFXXRMBBR-QGZVFWFLSA-N 391.814 3.913 30 40 GHEB C=CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 18222391 PUKYWRFIPBGZKA-QGZVFWFLSA-N 382.489 3.920 30 40 GHEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(N2CCCCC2)CCCCC1 36758152 WRNOHCVNHNQWQS-UHFFFAOYSA-N 399.583 3.651 30 40 GHEB N#Cc1nc(-c2ccc(Br)o2)oc1N1CCN(c2ccccc2)CC1 61997328 KOGXFPGQRDYTBC-UHFFFAOYSA-N 399.248 3.895 30 40 GHEB CN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1 408929155 HSSGGKLGGZHABS-QUUARBKMSA-N 397.475 3.896 30 40 GHEB N#CCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409344122 FNOAVAWKVGBDJB-LFIBNONCSA-N 397.437 3.903 30 40 GHEB N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1c[nH]nc1-c1nccs1 583851578 UCKMKIOJNBTNMH-GOEBONIOSA-N 378.461 3.837 30 40 GHEB C=CC[C@@]1([C@@H](C)[C@H](OC(C)=O)c2ccc3c(c2)OCO3)C[C@H](OC)C=CC1=O 1611540 LOEYSVINYLTHMX-PNEUHGTJSA-N 386.444 3.762 30 40 GHEB N#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12854804 AXSGUABNQUUERT-ZTLYHTANSA-N 377.488 3.704 30 40 GHEB COc1cc(OC)c(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)c(OC)c1 17127085 ZVEXHICWHZJRRA-LSHDLFTRSA-N 395.415 3.744 30 40 GHEB CO/N=C1\C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1 34292705 PFGOHCJFGDEHAX-HBTCSRNFSA-N 390.443 3.943 30 40 GHEB O=C1N/C(=N/Cc2ccccc2)[C@@H](NCc2ccccc2)N1Cc1ccccc1 57291960 UGPFZJGBSWCHIC-QHCPKHFHSA-N 384.483 3.926 30 40 GHEB CC(C)Cc1n[nH]c(/N=C(\O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)n1 95477504 XFOJBOYELBGTJC-UHFFFAOYSA-N 396.447 3.655 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 100505537 YIABHNSQNUSSHQ-HXUWFJFHSA-N 397.471 3.779 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)no1 102804362 NWMIPYCTUWVQON-SELCWUDQSA-N 396.349 3.888 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@@H]2C)n1 260715341 NITQNUKWRISLFZ-HOTGVXAUSA-N 388.585 3.564 30 40 GHEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408858829 TUACTSZUIQWJQI-JJFYIABZSA-N 378.384 3.947 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 409362855 SHCCOLKWTZRXIQ-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB N#Cc1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCC2 672973 ALDLSMBYBVUMIH-UHFFFAOYSA-N 393.428 3.514 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccc(C)cc2)[C@H]2C[C@@]1(C)Oc1ccccc12 2140342 ITYCOBHEGFQMOE-JXHRLWIKSA-N 376.456 3.860 30 40 GHEB biogenic CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2cccs2)c([N+](=O)[O-])c1 5020168 RDPVDGQDBBDGTE-SFQUDFHCSA-N 396.494 3.523 30 40 GHEB Cc1sc2nc([C@]3(C#N)Cc4ccccc4N4CCC[C@@H]43)[nH]c(=O)c2c1C 5264607 HJMLXKFSFDRMEZ-IERDGZPVSA-N 376.485 3.588 30 40 GHEB N#Cc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 6257503 ILGBXSRQHPPRDR-UHFFFAOYSA-N 376.338 3.812 30 40 GHEB CCSc1nsc(/N=C(\O)CN2CCC(Oc3cccc(F)c3)CC2)n1 19520510 KQZDYIJJRZCZOS-UHFFFAOYSA-N 396.513 3.921 30 40 GHEB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccc(C#N)cc3)c2c1C 30523819 WVCLXCDVTHAEMI-UHFFFAOYSA-N 380.473 3.993 30 40 GHEB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccsc1 58932119 DZVPWZCIXPUPFZ-KRWDZBQOSA-N 397.953 3.635 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 59484513 FLZOSLDFLIYARU-YCIYHOANSA-N 385.463 3.564 30 40 GHEB C[C@@H]1NN(c2ccccc2)C(=N)/C1=N\Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 96305890 XGZLIDDCLLHEFR-WEWYWERJSA-N 392.341 3.772 30 40 GHEB CCOc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1 100823079 VMPDDUDSYIOLQR-JZJYNLBNSA-N 375.833 3.582 30 40 GHEB N#Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)cc1 101813728 FPFJTQJVABPILA-OALUTQOASA-N 397.425 3.969 30 40 GHEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224954457 UDCXXZJYPJKINY-UHFFFAOYSA-N 397.880 3.747 30 40 GHEB COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1C 409281973 NPJALCYWHPPIRM-UHFFFAOYSA-N 386.249 3.667 30 40 GHEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)SC(=S)N1/N=C/c1ccccc1 1883108 HZYVSSOQYBWISR-PFVOVTSXSA-N 385.426 3.536 30 40 GHEB C/N=C1/S/C(=C\c2ccccc2OCc2ccc3c(c2)OCO3)C(=O)N1C 408850535 BOWQKWOTKCYSQS-KSTCYZMHSA-N 382.441 3.526 30 40 GHEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)NC1=O 409064415 GZHYVWPGWUKLPL-RGEXLXHISA-N 379.485 3.723 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n1 7371502 HYUGEJFEEKCHCY-HNNXBMFYSA-N 395.513 3.878 30 40 GHEB N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN(c2ccccc2O)CC1 71939115 XUVSPZLMPYLZMX-UHFFFAOYSA-N 396.397 3.740 30 40 GHEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc([N+](=O)[O-])c1O 408966698 PXZWYMHEIIGCOY-MHWRWJLKSA-N 399.428 3.899 30 40 GHEB C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OCC 409202876 SWGDBDXHRJPXOA-RVDMUPIBSA-N 397.880 3.986 30 40 GHEB N#C[C@@]1(C=O)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225664613 NDPOGSSNHYPNBQ-IXDOHACOSA-N 380.252 3.642 30 40 GHEB Cc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@H](c3ccco3)CC1=O)N2 19959976 ZTUIJVZAXLXEKS-BUXKBTBVSA-N 391.387 3.503 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)[C@H](C)CC)C2=O)cc1 5373788 XLYAZCBAYVUAAM-MLMWJPRUSA-N 391.514 3.952 30 40 GHEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)cc1 1433812 WHRVFWDCBCUYOH-ZQFKLAOWSA-N 393.442 3.745 30 40 GHEB biogenic Cc1ccc(/N=C2\C(=O)N(CN3C[C@H](C)O[C@H](C)C3)c3ccccc32)cc1C 18125359 XFGYCGMCYMQGTR-XDPQWZOCSA-N 377.488 3.838 30 40 GHEB CCOc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cc1 32751574 HAQDSLUNVCBZNU-NRFANRHFSA-N 381.476 3.758 30 40 GHEB COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1OC 1189955 RLJBVFPNYIGGEH-HYARGMPZSA-N 389.883 3.522 30 40 GHEB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 2621531 CDBQIOUCKCUTMD-UHFFFAOYSA-N 399.516 3.509 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ccccc2c1=O 3477954 MAYJLGSMELDMDH-UHFFFAOYSA-N 379.485 3.930 30 40 GHEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(Br)o2)S1 5376714 FCVIAZQEKUTXAT-XYOKQWHBSA-N 379.235 3.942 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C/c2c[nH]c3ccccc23)cc1OC 6007236 OSHMSFVFUKHYEY-SRZZPIQSSA-N 379.445 3.615 30 40 GHEB COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC#N 6509317 FEOYXNDUHYEPDM-VQHVLOKHSA-N 393.468 3.945 30 40 GHEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)Nc2ccc(Cl)cc2)n1 14608423 SFMFIZVKBORFFN-UHFFFAOYSA-N 381.827 3.757 30 40 GHEB COc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc(OC)c1O 16195050 NRZIKZGDHVGWES-OQLLNIDSSA-N 390.848 3.954 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17191841 IQJCPTYMWMVLGD-UHFFFAOYSA-N 385.452 3.999 30 40 GHEB C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 20050716 SIEJLLJKEUPWQY-UHFFFAOYSA-N 380.853 3.529 30 40 GHEB C#CCOc1c(Cl)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC 20196440 XRSSTSBLPARRKB-YDZHTSKRSA-N 388.851 3.502 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)CS(=O)(=O)c2ccccc2Cl)cc1C 79111570 KPJLJIKSJUTOCM-UHFFFAOYSA-N 390.892 3.677 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc(Cl)c1 2463614 TTWYMDVGDMDVDJ-IAQYHMDHSA-N 376.865 3.718 30 40 GHEB N#Cc1ccccc1COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 5224479 SSPVBAPVFBAGEZ-UHFFFAOYSA-N 398.418 3.831 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 5619011 RPBPQMNABUSJAR-AWEZNQCLSA-N 395.484 3.748 30 40 GHEB COc1ccc(OC)c(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 6057162 GFCVUXLITSJSNM-HYARGMPZSA-N 397.456 3.650 30 40 GHEB COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 6764140 ORHRTHDQAXPMOF-LLVKDONJSA-N 385.514 3.880 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1 13104596 KHSJYOVNGYULBC-ISBHARSQSA-N 381.428 3.844 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1coc2ccccc2c1=O 19830929 QJKUARJAKPOZKK-IBGZPJMESA-N 393.439 3.570 30 40 GHEB biogenic N#Cc1c(OCC(=O)NCc2ccco2)nc(-c2ccccc2)c2c1CCCC2 32073598 KIIIJGZTVUDSSH-UHFFFAOYSA-N 387.439 3.787 30 40 GHEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCCCC1 44085739 BOKKQZSWHOUUSR-UHFFFAOYSA-N 386.477 3.749 30 40 GHEB CSc1ccc(Cl)c(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)c1 48461552 XLLRESGSMBFGLP-UHFFFAOYSA-N 399.877 3.527 30 40 GHEB COc1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1 100122259 PBHHQZFRBOZMHA-UHFFFAOYSA-N 396.406 3.800 30 40 GHEB CCCCCCCCCCNC(=S)NNS(=O)(=O)c1ccc(C)cc1 100980461 YYDRXYNXPSYMJR-UHFFFAOYSA-N 385.599 3.793 30 40 GHEB CC1(C)OB(c2ccc(NC3CCC4(CC3)OCCO4)c(Cl)c2)OC1(C)C 203571558 ONEFPWRQPJYXIO-UHFFFAOYSA-N 393.720 3.737 30 40 GHEB CC/C(=N/OC/C=C/Cl)C1=C(O)C[C@@H](C[C@@H](C)S(=O)(=O)CC)CC1=O 222022169 GLOKEOJMCXNRJB-BTKXZMEFSA-N 391.917 3.526 30 40 GHEB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1ccc(F)cc1 408862185 DHWHOGCLMDUTPC-SRZZPIQSSA-N 386.452 3.874 30 40 GHEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)S1 408876862 RIOUEAGYWOUDHH-YVLHZVERSA-N 399.428 3.812 30 40 GHEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2C)c1 409016457 CPJDECRSKVGIFH-AHDBMNBVSA-N 397.500 3.967 30 40 GHEB CC1(c2cc(=NC(=O)NC3(c4ccc(C#N)cc4)CCOCC3)[nH]o2)CCCC1 529087207 JSGNYTRGCDFCEC-UHFFFAOYSA-N 394.475 3.627 30 40 GHEB N#Cc1cnc(N2CCC[C@@H](c3c[nH]c4ncccc34)C2)c(Br)c1 1643060569 SZOZCPVJFOQFGC-CYBMUJFWSA-N 382.265 3.976 30 40 GHEB S=C(NCc1ccccc1)N/N=C/c1c[nH]c2ccc(Br)cc12 3242611 LIMWYAWJZGFXEJ-SRZZPIQSSA-N 387.306 3.929 30 40 GHEB CN(c1ccc(OCc2ccccc2C#N)cc1)S(=O)(=O)c1ccccc1 3384951 OCANNLQPVRUQDA-UHFFFAOYSA-N 378.453 3.962 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C\c2cccc(Br)c2)cc1 4679599 DKOVRJBLXCUCGF-ZDLGFXPLSA-N 389.278 3.887 30 40 GHEB COc1cc(C(=O)c2c(C)c(CCC#N)n3ccccc23)cc(OC)c1OC 4932954 DTWJCTHGRXJKBR-UHFFFAOYSA-N 378.428 3.961 30 40 GHEB Cc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238310 HNDABDMLYQYKCK-UHFFFAOYSA-N 375.453 3.900 30 40 GHEB N#Cc1ccc(-c2ccc(OCC(=O)N3CC(=O)Nc4ccccc43)cc2)cc1 6408962 AAWSLWYSRNXTIF-UHFFFAOYSA-N 383.407 3.589 30 40 GHEB Cc1nc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 8190484 KRZLDQWZFPIHGX-OAHLLOKOSA-N 397.500 3.619 30 40 GHEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(C)ccc21 32094543 ARKGAYCVFVTTFY-QHCPKHFHSA-N 384.439 3.991 30 40 GHEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccnc2)n2ncc(C#N)c2N1 101488061 LZJXLAZRAXRBFH-HXUWFJFHSA-N 384.443 3.694 30 40 GHEB COc1ccc(N/N=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1 102949681 DRRKLVUJANCNAJ-KQWNVCNZSA-N 376.338 3.905 30 40 GHEB O=S(=O)(O[C@H]1C[C@@H]2[C@H]3[C@H]4[C@H]1[C@H]2[C@H]1[C@H]4CC[C@@H]31)c1ccc(Br)cc1 104288995 BGHXOCMILMODDG-TUPLBYSNSA-N 395.318 3.691 30 40 GHEB COc1ccc2nc(SCC(=O)N3CCc4ccccc4C3)c(C#N)cc2c1 1354609 ZKAHTRCKZBNMOZ-UHFFFAOYSA-N 389.480 3.792 30 40 GHEB CC/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 5914791 QWKGJBZFEVUGON-FBMGVBCBSA-N 397.294 3.550 30 40 GHEB Cc1c(Cl)cccc1NC(=S)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21 6604373 WWIABUYUTWSGEB-UHFFFAOYSA-N 389.824 3.849 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 7141198 YAFUYXAMNSESCF-SDNWHVSQSA-N 388.445 3.521 30 40 GHEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1 7977458 ICSJWMXOTOFRQW-MRXNPFEDSA-N 394.496 3.795 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1 13482360 AUTHIGPVRCOTLD-JBZDTAIVSA-N 392.455 3.926 30 40 GHEB COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 19137946 UTECWNFDJBXYDZ-HXUWFJFHSA-N 395.455 3.944 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427209 HFZRXQMCDNMNOQ-KEBDBYFISA-N 380.364 3.752 30 40 GHEB COCc1nc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cs1 102119110 OSYKQMHDNSJRJD-HTXNQAPBSA-N 375.519 3.813 30 40 GHEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841033 HYEWMXQFDIDHCT-QGZVFWFLSA-N 384.907 3.992 30 40 GHEB C#CCn1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 409391792 JVETZFVUICGDPC-MTJSOVHGSA-N 383.476 3.662 30 40 GHEB Cc1cc2c(c([N+](=O)[O-])c1C)C(=O)C(Br)=C(Br)C2=O 1689555 UUZSXLHMCOECMH-UHFFFAOYSA-N 388.999 3.592 30 40 GHEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C/c1ccc2c(c1)OCO2 4863911 FZDBODMQPYDPQY-KPSZGOFPSA-N 398.253 3.697 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cccs1 10303640 VDDRSHUALPUNMB-UHFFFAOYSA-N 384.530 3.910 30 40 GHEB COc1ccccc1/N=C1\SCCCN1C(=O)c1cc(=O)[nH]c2ccccc12 16045266 HXLWUKIWSBDUQE-LNVKXUELSA-N 393.468 3.804 30 40 GHEB CCCCn1c(SCCC#N)nc2cc(S(=O)(=O)N(CC)CC)ccc21 21087434 APBCPGLGDXGYEE-UHFFFAOYSA-N 394.566 3.873 30 40 GHEB CCOc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(OC)cc1)C1CC1 21758914 SYFNWMXYMNVMII-UHFFFAOYSA-N 380.444 3.536 30 40 GHEB N#Cc1c(Cl)nc2c(c1C#N)CCCC2(Br)Br 35324052 XVOJEVZSQBJRNC-UHFFFAOYSA-N 375.451 3.757 30 40 GHEB N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1 48167006 KLCKALNWHDPQFM-UHFFFAOYSA-N 376.368 3.754 30 40 GHEB C=CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 101219177 FHBKSFJVKQCKMQ-NHKNDPDJSA-N 386.498 3.542 30 40 GHEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCOCC1)C2=O 118917964 MBKCNWRXKQJVAT-AZWRHVTBSA-N 385.548 3.705 30 40 GHEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)OCCCC)C2=O)c1 409331901 PMHZQZSWJPXKKG-FOWTUZBSSA-N 375.446 3.631 30 40 GHEB COc1cccc(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)c1 1355118 IFMKSDXKMHSGCP-UHFFFAOYSA-N 392.436 3.861 30 40 GHEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccncc1 104461128 KKHZICBAMRTIBD-PTGBLXJZSA-N 393.244 3.689 30 40 GHEB O=C1/C(=N/Nc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1 101414149 XLHFZESYKVQHLF-BSYVCWPDSA-N 385.383 3.814 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C2/C(=O)c3ccccc3-c3ccccc32)cc1 104214907 BBFDLPXZCQRKEY-LSDHQDQOSA-N 376.437 3.541 30 40 GHEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1ccccc1 100193110 GOHJUGURNICBJU-XGIGFIBQSA-N 383.473 3.675 30 40 GHEB C=CCc1ccc(OCCCCn2c(CNC=O)nc3ccccc32)c(OC)c1 9191674 YIBBQIKSXGONED-UHFFFAOYSA-N 393.487 3.879 30 40 GHEB N#Cc1c(-c2ccccc2)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O 19794117 CUTDTTAQXVBKSA-UHFFFAOYSA-N 381.844 3.937 30 40 GHEB Cc1ccc(/N=C2\NN=C(c3c[nH]c(C(=O)N4CCCC4)c3)CS2)c(C)c1 9376258 BEINRFCLZMNSAE-UHFFFAOYSA-N 381.505 3.596 30 40 GHEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)c1 409012435 KALGVFCBXCFYKB-OHBSIKEHSA-N 391.807 3.738 30 40 GHEB CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709206 PNMVUCZZROLEKF-UHFFFAOYSA-N 395.503 3.642 30 40 GHEB N#Cc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 225997974 JXRJDWPIYDKTGT-UHFFFAOYSA-N 397.500 3.520 30 40 GHEB COC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242688096 VFQWTRVRDPSFET-RCCFBDPRSA-N 379.840 3.575 30 40 GHEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCCC1)C2 585106561 AZWQENBOBBBZLL-HSZRJFAPSA-N 376.504 3.886 30 40 GHEB CCOCCC/N=C(\S)NCCCNc1nc2ccc(C)cc2cc1C#N 13556001 RCPOGUBDFKWLME-UHFFFAOYSA-N 385.537 3.519 30 40 GHEB Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c1 852721 ITOCMGJMMLKZTN-VUUXHMSQSA-N 393.442 3.745 30 40 GHEB biogenic CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 3254731 SLYWGXLHBFIMEI-UHFFFAOYSA-N 392.484 3.799 30 40 GHEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 4488257 LGGXSBPTFSUJCZ-NSPYISDASA-N 382.370 3.873 30 40 GHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)c(Cl)c1 4740731 HXHYQBPTQCILMD-IDTCLIEOSA-N 392.267 3.760 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nc2cc1OC 4857883 HLKMFXHISAPSDL-XJKSGUPXSA-N 399.516 3.911 30 40 GHEB Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)nnn1-c1ccccc1F 4938568 ZIRNGIWLTUPYIS-UHFFFAOYSA-N 381.436 3.779 30 40 GHEB Cc1ccc(-n2c(C)cc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)c2C)cc1C 6831485 ZQQDCUGZFKMQPK-UHFFFAOYSA-N 388.471 3.639 30 40 GHEB C=CCSc1nnc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)s1 8745090 RASMXYBMZIGFEG-OAHLLOKOSA-N 386.502 3.719 30 40 GHEB O=C(O)CCCOc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)cc1 12946162 CZWLIEHYBCLCAC-ONNFQVAWSA-N 395.390 3.546 30 40 GHEB C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 16041421 OXTZXOOCKNLCBE-PKOBYXMFSA-N 391.515 3.945 30 40 GHEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 20673910 WWUAZOXWBVSMAG-SFHVURJKSA-N 390.487 3.633 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCCCC1 32633179 LQDQMETWAZUWMS-UHFFFAOYSA-N 381.270 3.501 30 40 GHEB Cc1ccc(S(=O)(=O)OCC2(C#N)CCN(Cc3ccccc3)CC2)cc1 40448630 IIZMJYGDVZSAJV-UHFFFAOYSA-N 384.501 3.506 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCc3cccnc3)c2)c1 48373910 XWWILSSFPISEPH-UHFFFAOYSA-N 385.423 3.590 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)no1 102803802 NDTBIFOJIFYFCB-SELCWUDQSA-N 378.359 3.748 30 40 GHEB CC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1 104308199 ZWBVBDHBDTZYOE-OBOGJDLMSA-N 399.516 3.632 30 40 GHEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1cccc(C(F)(F)F)c1 1393064 SXANBNCJUSEQMH-XDHOZWIPSA-N 389.376 3.505 30 40 GHEB N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCCC2 2091830 MHBYKDOTOWEDMY-UHFFFAOYSA-N 386.389 3.957 30 40 GHEB N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4905762 LIKNCXQJSAJBET-UHFFFAOYSA-N 375.384 3.590 30 40 GHEB CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc21 5490727 YXUWRQHQVCRGJB-XCLFUZPHSA-N 396.520 3.534 30 40 GHEB Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 6139984 LNGAAVFDKKBBHR-UHFFFAOYSA-N 383.864 3.738 30 40 GHEB CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2cccc(O)c2)cc1 11915280 VPQDEIWGHUQAHG-IBGZPJMESA-N 381.428 3.635 30 40 GHEB COc1ccccc1/N=C1/NC(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S1 12566265 QIRBSRPSGBTTIL-INIZCTEOSA-N 383.473 3.560 30 40 GHEB C=CCc1cc(C(=O)Nc2ccccc2N2CCCC2=O)cc(OC)c1OC 12975023 VMILPQUXOFGYRX-UHFFFAOYSA-N 380.444 3.811 30 40 GHEB CCC/N=C(/S)N1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 13556341 ZVWKBZNESVBZNR-UHFFFAOYSA-N 389.594 3.696 30 40 GHEB COCCn1c(C)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)c1C 14011391 PCPKPWOGEYJIAQ-LDADJPATSA-N 385.489 3.652 30 40 GHEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 20611373 UKJAQMZQDMSSSC-LKEIMFIWSA-N 393.439 3.969 30 40 GHEB biogenic O=C(Sc1ccc(Cl)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 40287795 KTLWNYLQFIPSIA-UHFFFAOYSA-N 380.874 3.773 30 40 GHEB COCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 44027703 CBYGDDCHWVAKJK-RMKNXTFCSA-N 387.388 3.533 30 40 GHEB C/C(Cn1nc(C)cc1C)=N\OCc1cc2c(cc1Br)OCCO2 63455940 CWKTXWRCRBERDZ-UDWIEESQSA-N 394.269 3.626 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 78547288 GTPJDQKJBSYCRH-HXUWFJFHSA-N 379.456 4.000 30 40 GHEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccnc2)n2ncc(C#N)c2N1 101491801 GHNZBTKSWLJHEW-SFHVURJKSA-N 390.834 3.731 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102515810 XKTJEZGZFFDHEK-GHNGSUTGSA-N 380.400 3.817 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(F)c(Cl)c3)C(=O)NC2=S)cc1 408756312 RGNMXGMEWLYTGH-YOZVVDKVSA-N 389.839 3.554 30 40 GHEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 4724214 SZLJUVYODBHNJE-IBGZPJMESA-N 376.239 3.987 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(C(F)(F)F)nn21 5345011 VFEZPZKOBLABIG-HNNXBMFYSA-N 378.354 3.718 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)cc2F)cc1 6820342 OKSAQYKNQBJYKH-DYVFJYSZSA-N 383.394 3.978 30 40 GHEB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 7097492 BFVDULGIQWANIQ-OAHLLOKOSA-N 399.516 3.865 30 40 GHEB C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)NC1(C#N)CCCCC1 8429166 VUHNZKJDWYLLMS-WMLDXEAASA-N 381.505 3.885 30 40 GHEB C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccnc1 8472372 BGXKPOQMBQWMKU-SFHVURJKSA-N 391.500 3.638 30 40 GHEB C=CCn1c(C)cc(-c2csc(NC(=O)CNC(=O)c3ccccc3)n2)c1C 10256095 LTLCERMFGYFULQ-UHFFFAOYSA-N 394.500 3.783 30 40 GHEB CC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nc1C 12521902 OTHHHQFMDXZUTR-UHFFFAOYSA-N 394.500 3.795 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)c1c(O)n[nH]c1N2 18196466 GHXGWMZSFYQBBM-ZBEGNZNMSA-N 379.441 3.841 30 40 GHEB N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccc(C(=O)O)cc2)[nH]c1=O 28616558 KHFLEBSFNKNPKB-UHFFFAOYSA-N 397.843 3.952 30 40 GHEB C=CCN(CCc1ccccc1)C(=O)NCc1ccc(-n2ccnc2C)nc1 58208868 VAURNANEVUEYCX-UHFFFAOYSA-N 375.476 3.516 30 40 GHEB C[C@@]1(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CCCc2ccccc21 79067096 PBQQWKKXKSGSPK-XMMPIXPASA-N 389.499 3.752 30 40 GHEB N#Cc1c(NC(=O)CCNC(=O)OCc2ccccc2)sc2c1CCCC2 408738374 RXMGUDHJOVZQSG-UHFFFAOYSA-N 383.473 3.754 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)o1 796037 FTXHVTXTNNAMHO-HXUWFJFHSA-N 388.423 3.804 30 40 GHEB COC(=O)c1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc1 3310945 QJAPNHYCNFSBCA-UFFVCSGVSA-N 381.379 3.813 30 40 GHEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 2405049 QGLGCYUOLTUSNZ-IBGZPJMESA-N 377.396 3.541 30 40 GHEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)nc1C 11916024 GCBZHGPIWIBIHV-UHFFFAOYSA-N 399.428 3.710 30 40 GHEB COc1cc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc(OC)c1 12904976 IKXVWNTVFDXATB-UHFFFAOYSA-N 391.389 3.823 30 40 GHEB C=CCn1c(SCC(=O)OCC)nc2scc(-c3ccccc3)c2c1=O 4426045 LXKWVDDFAOWSOL-UHFFFAOYSA-N 386.498 3.966 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(C)o2)C1=O 4472253 SYDVGACMZFZQCU-WJDWOHSUSA-N 397.452 3.758 30 40 GHEB N#C[C@@H](Cc1ccccc1)Sc1nnnn1-c1ccc(OC(F)(F)F)cc1 6589765 YTDIQVHBRARWGR-OAHLLOKOSA-N 391.378 3.788 30 40 GHEB N#C[C@@](N)(C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 31820276 YQDBZDIMYUIBPM-SFHVURJKSA-N 376.243 3.659 30 40 GHEB CCCC/N=C1/S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC 100918861 JUMQOMBRFKELOX-SGRLSNSRSA-N 391.537 3.924 30 40 GHEB C=CCSc1nc2nc3c(cc2c(=O)n1Cc1ccccc1)COC(C)(C)C3 2254759 QUJZOZSBACTWKI-UHFFFAOYSA-N 393.512 3.969 30 40 GHEB N#Cc1ccc(OC[C@@H](O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 3378274 AUUJALLAXDYMFA-SFHVURJKSA-N 393.512 3.787 30 40 GHEB COc1cc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1O 4962937 ZIVUWSQENFGCPQ-AERZKKPOSA-N 375.734 3.923 30 40 GHEB CC(=O)Nc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1 5367293 WFVMTKSLRMJMBK-UHFFFAOYSA-N 389.411 3.553 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2C#N)C1 6578655 JHTDKGBFPPFJKG-GFCCVEGCSA-N 392.484 3.552 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1 6785191 GTGMYQRMZMCNEA-SELCWUDQSA-N 384.501 3.512 30 40 GHEB COCCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(Cl)cc1 7203077 PTHUUAGVOHSBKA-CYBMUJFWSA-N 375.885 3.781 30 40 GHEB COc1ccccc1C/N=C(/N)SCc1cc(Cl)cc2c1OCOC2 7664882 VJWYXYRACMVDLP-UHFFFAOYSA-N 378.881 3.963 30 40 GHEB COc1ccc2oc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)c(C)c2c1 7737772 NVOPRPBBLVBHHB-CQSZACIVSA-N 384.432 3.638 30 40 GHEB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1C#N 8709289 FIRRICIUYYSIGF-AWEZNQCLSA-N 396.520 3.594 30 40 GHEB Cc1cc(C)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c1C#N 9319580 YWBNAVGYIBBQAN-UHFFFAOYSA-N 387.439 3.555 30 40 GHEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 9483326 AVQRHMCMOGSKBO-NRFANRHFSA-N 379.460 3.642 30 40 GHEB O=C1/C(=C\c2cc[n+](Cc3ccc(Br)cc3)cc2)Cn2cccc21 9498931 LZVMRDFUYKAPOL-ATVHPVEESA-N 380.265 3.866 30 40 GHEB CCOC(=O)N1C/C(=C/c2cccc(O)c2)C(=O)/C(=C/c2cccc(O)c2)C1 13135434 ZMDIJERLASCEPR-BUOZRGFLSA-N 379.412 3.606 30 40 GHEB Cc1ccc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1C 16150367 JUMWTOVETXXUJF-OAQYLSRUSA-N 379.529 3.805 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccncc1)n1nc(SCc3ccccc3)nc1N2 16779154 GPWRNEDXUXRODC-LJQANCHMSA-N 389.484 3.987 30 40 GHEB CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N 19940241 UXRLWSKWEAGBHV-UHFFFAOYSA-N 396.472 3.518 30 40 GHEB Cc1ccc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)c1 32821138 QTFMVOMUQRPWRV-FQEVSTJZSA-N 379.529 3.805 30 40 GHEB C=CCOc1ccc(CN(C)c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 40024813 PONDEDIPSLLUMP-UHFFFAOYSA-N 381.432 3.688 30 40 GHEB CCCCOC(=O)C(=O)/C(=C/n1c(=S)[nH]c2ccccc21)C(=O)C=C(C)C 50704619 WAZFSJOXKAKXTJ-WYMLVPIESA-N 386.473 3.987 30 40 GHEB CC(=O)c1cccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)c1 68900998 XIXQIUYQUFHTRN-JTQLQIEISA-N 387.866 3.717 30 40 GHEB N#Cc1ncoc1N/N=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 94992870 TZFLZYDOISAXBP-KSEXSDGBSA-N 399.370 3.753 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)no1 102803807 NDTBIFOJIFYFCB-GHNGSUTGSA-N 378.359 3.748 30 40 GHEB COc1ccc(C(=O)Oc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 408889390 FYCRHTSZKJBGBZ-WSDLNYQXSA-N 392.371 3.664 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(C)c3OC)S2)cc1 408966240 NZSQMLBPJPZWQP-GZTJUZNOSA-N 384.457 3.912 30 40 GHEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409314465 KQOUYKOZKLBWEB-GFCCVEGCSA-N 385.265 3.950 30 40 GHEB CCCCN=C1S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 2032946162 MSSPDEHKDPSLJC-QGZVFWFLSA-N 391.537 3.924 30 40 GHEB CCSCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 79019124 YAKANWVKTIJIJO-KRWDZBQOSA-N 389.521 3.525 30 40 GHEB COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c1OC 54333099 SPCBEHYOVMFELE-GRSHGNNSSA-N 393.439 3.943 30 40 GHEB biogenic C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1 6158476 ZIFRGUIZFKGWHI-KRWDZBQOSA-N 388.261 3.519 30 40 GHEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)CC1 20611268 LKROBQGLHRVXSL-NHDPSOOVSA-N 393.439 3.969 30 40 GHEB biogenic CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCC#N 2773013 NOISAPBUEMLQQJ-LFIBNONCSA-N 382.803 3.986 30 40 GHEB Cc1c(C(=O)OC(C)C)sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C#N 2742752 YIVPZRTUACMJGN-UHFFFAOYSA-N 387.417 3.583 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc([N+](=O)[O-])cc1 5156535 HXROQJZLQMCZMS-ODLFYWEKSA-N 388.335 3.825 30 40 GHEB C=CCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(CC)cc2)S1 5234039 CMGHXLSERZOYNP-KMUCBOENSA-N 393.512 3.978 30 40 GHEB COc1cccc(-c2nc(CC(=O)Nc3sccc3C#N)cs2)c1OC 6881797 BDMJMCZAERCJNC-UHFFFAOYSA-N 385.470 3.942 30 40 GHEB N#CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCCC1 72029925 KRFZEZRCJADBII-UHFFFAOYSA-N 395.912 3.537 30 40 GHEB CCOC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc1C 8776648 LWOLTVRROSTSKC-AWEZNQCLSA-N 383.473 3.582 30 40 GHEB CCc1nn2c(=O)cc(CNc3cccc(C#Cc4cccs4)c3)nc2s1 40061460 LPXYGHRWGCAJPD-UHFFFAOYSA-N 392.509 3.787 30 40 GHEB COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959777 XZITUIVPHNSHQN-RFAUZJTJSA-N 378.354 3.574 30 40 GHEB CC1=C/C(=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)CC(C)(C)C1 5563912 GWPPJMWKLYZPKC-AJIWAEEYSA-N 384.505 3.725 30 40 GHEB C=CCO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 309924688 WZNQPIBLGCKYCJ-VLIAUNLRSA-N 381.428 3.569 30 40 GHEB N#Cc1ccc(-c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 6409300 WTCLFVGIWFWBCT-UHFFFAOYSA-N 386.407 3.649 30 40 GHEB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCCCC2 845107 KYZHLSBJOAVKSC-UHFFFAOYSA-N 393.856 3.594 30 40 GHEB Cc1cccc(OCCN(C)CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)c1 24680051 SDYFDJPSFWGPLA-LJQANCHMSA-N 386.455 3.543 30 40 GHEB Cc1sc2ncnc(SCc3nc4ccccc4c(=O)n3CC#N)c2c1C 3348072 GJVJPZBXLKEGJF-UHFFFAOYSA-N 393.497 3.834 30 40 GHEB Cc1ccc(N2C(=O)CC[C@H](C(=O)/N=C3\NCCS3)[C@H]2c2cccs2)cc1 69482987 ISQZEHZRHRAVEC-YJBOKZPZSA-N 399.541 3.760 30 40 GHEB COC(=O)Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409100760 SBRCTZVVMGBUMU-LIMNOBDPSA-N 376.338 3.674 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777365 BGASGNOQNMNAMU-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB C(=N/Nc1ncnc2sc3c(c12)CCCC3)\c1ccc(N2CCOCC2)cc1 6276539 RWMLDMKAJZCIES-ZMOGYAJESA-N 393.516 3.853 30 40 GHEB Cc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 6661955 ZTQFEBUPISPDCZ-BFUOFWGJSA-N 391.387 3.503 30 40 GHEB OCCN(CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 61859453 GILZKBZIHPOHNC-UHFFFAOYSA-N 383.491 3.791 30 40 GHEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2Cl)n1 4363278 OSBAWPHHCHXQQM-LPYMAVHISA-N 381.871 3.649 30 40 GHEB CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OC)c1 4626434 VSSAUAPBRXWTHR-LIRRHRJNSA-N 375.465 3.902 30 40 GHEB C=CCN1C(=O)[C@H](Cc2ccc(OC)cc2)S/C1=N/N=C/c1cccs1 5214321 YQBJJSPHFYJNRJ-XVEDWSDESA-N 385.514 3.819 30 40 GHEB C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1ccc(C#N)cc1 5787513 VONKYBJPZJCYCV-GLQBIYHJSA-N 392.484 3.908 30 40 GHEB COc1cc(/C=N/Nc2nc3ccccc3n2C)cc(Br)c1OC 7343333 IBRIOJQVZRPBQS-VXLYETTFSA-N 389.253 3.799 30 40 GHEB COc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 11184545 HLQUINMXLCQQJJ-UHFFFAOYSA-N 383.517 3.968 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(O)c(OCC)c1 12062923 UAHMOSKGSNHGSF-FQEVSTJZSA-N 391.423 3.937 30 40 GHEB C#CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCc2ccccc21 32935649 UTUYSILQVVKVPX-NRFANRHFSA-N 398.453 3.569 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C[C@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 35361973 OBTXHSTWEOYBKT-HFAAFMBOSA-N 399.531 3.672 30 40 GHEB biogenic N#CCc1ccc(NC(=O)COC(=O)c2ccc(CN3CCCCC3)s2)cc1 72312519 SWRCOYAFNNCOOT-UHFFFAOYSA-N 397.500 3.596 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1 96336514 WPCDTLPIZMKNBV-HNNXBMFYSA-N 382.397 3.528 30 40 GHEB C=CCC1(C(=O)N[C@H]2[C@@H]3CN(c4ccc([N+](=O)[O-])cc4F)C[C@@H]32)CCCCC1 1615058693 UWIVYAIXQQPQFU-MNZLEMJZSA-N 387.455 3.811 30 40 GHEB CCOC(=O)c1c(/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)sc2c1CCC2 722036 SCXBKTDHMIXQGE-DJKKODMXSA-N 390.417 3.787 30 40 GHEB CC1(C)SC(=S)N(/N=C/c2ccco2)[C@@H]1N(O)C(=O)Nc1ccccc1 1054998 UVAHYLAZCRESMS-XWAFYUISSA-N 390.490 3.975 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1 1095818 LAUYUKWJERGACR-HNNXBMFYSA-N 382.279 3.652 30 40 GHEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 4331426 QEZPFBRMLRVOMW-AWEZNQCLSA-N 381.505 3.766 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)cc2)cc1 5408971 CCIDWYOPTCCWDO-ACJLOTCBSA-N 385.847 3.608 30 40 GHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 6870399 OBOJPQJDOKIMJF-PDGQHHTCSA-N 384.457 3.994 30 40 GHEB CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 9110130 JWPXIVWVMGMUSJ-HKUYNNGSSA-N 388.467 3.724 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])n1ncnc1N2 18197359 COTJCOIZJPLKFQ-ZMZPIMSZSA-N 393.428 3.664 30 40 GHEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(OC)c(O)c1)C1=C(CCCC1=O)N2 18200483 OUJAZKNVTVLYDX-FQEVSTJZSA-N 381.428 3.983 30 40 GHEB Cc1ccc(SCc2cc(=O)nc(/N=C(/N)Nc3ccccc3C)[nH]2)cc1 20555668 XLHBRSWURGAZQY-UHFFFAOYSA-N 379.489 3.737 30 40 GHEB N#Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1N 65487472 BTRBITNBATXKRV-SJORKVTESA-N 377.835 3.722 30 40 GHEB CN(CCOc1ccccc1C#N)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 84199942 QLRZUVGPWJWZRP-DFNIBXOVSA-N 385.508 3.799 30 40 GHEB CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(F)cc1 102675439 UTECRXDXICGDJW-AWEZNQCLSA-N 375.359 3.558 30 40 GHEB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC#N 106691167 QPTKDZMMADZTER-WQRHYEAKSA-N 398.415 3.973 30 40 GHEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218549166 LVVBPJUYLQELHU-BZSNNMDCSA-N 379.840 3.575 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccn1-c1cccc(C(F)(F)F)c1 409409515 VYKPWKSFJLCEPK-DSIZOQBWSA-N 399.372 3.637 30 40 GHEB N#CC1(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)CCOCC1 576884713 KLMAGFLFHLKIJH-UHFFFAOYSA-N 394.656 3.910 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC1=S 1200497 XISSNNSICYEOKN-JLHYYAGUSA-N 383.385 3.508 30 40 GHEB COc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1430131 QHJVHEVFLOYSSY-QUCCMNQESA-N 390.483 3.889 30 40 GHEB COc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1ccc(F)c(F)c1 3233600 JABAIQSCRYCRQO-LPYMAVHISA-N 394.443 3.899 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@H](c3ccccc3)C(=O)N2CC)cc1 4538092 QXCRBNINCREZHI-NHKNDPDJSA-N 388.514 3.630 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(Br)c3c(c2)OCCO3)c1 4863202 KPDGPMBRPOWQLO-CAOOACKPSA-N 379.166 3.585 30 40 GHEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc21 5337967 AEHFPPUGOYCZDP-DJKKODMXSA-N 381.783 3.524 30 40 GHEB CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 5799212 IFPFTCBABLLVRJ-QRWLVFNGSA-N 379.456 3.769 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 8022631 ZVWBPGVHRAIOCZ-HXUWFJFHSA-N 395.455 3.786 30 40 GHEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nc(O)c(C#N)c(C#N)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 9043903 RONRYQJFHZPPMI-ZANJPIGKSA-N 391.515 3.849 30 40 GHEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nc(N)c21 12536992 PGCXLLORCDNQHL-HNNXBMFYSA-N 396.516 3.990 30 40 GHEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)ccc1O 18197160 ASEABEDBELASOP-NRFANRHFSA-N 381.428 3.983 30 40 GHEB C=CCSc1nnc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)s1 25254617 OLYOSCHDAYFDEO-AWEZNQCLSA-N 377.491 3.626 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1)S(C)(=O)=O 44903783 MEWPNAZMHXHFKN-HXUWFJFHSA-N 386.517 3.828 30 40 GHEB C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 66319814 MEMRTZIWYVZAMA-ZWKOTPCHSA-N 382.545 3.852 30 40 GHEB CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(C(=O)O)cc1 100215296 PDWASHCATMWKGP-LBVWADOBSA-N 388.832 3.978 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1cccn1-c1cccc(C(F)(F)F)c1 409342747 HIIOXRLCVYQUHU-UHFFFAOYSA-N 398.344 3.794 30 40 GHEB C=CCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 2311653 NKMRCPDINFFBNM-UHFFFAOYSA-N 388.427 3.566 30 40 GHEB O=C(Nc1ccc(C#CC2(NC(=O)C3CCCC3)CCCCC2)cn1)C1CC1 12670796 GYNMQVJPCOFRHE-UHFFFAOYSA-N 379.504 3.791 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 17014654 XRZPPEFAOCFLAC-SFHVURJKSA-N 378.384 3.668 30 40 GHEB N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccc(Cl)c(Cl)c1 18038293 UTKNKVOJGQJRON-LUILSVGHSA-N 397.649 3.692 30 40 GHEB C=CCN(C(=O)c1csc(-c2cnn(C)c2)n1)c1nc2c(s1)CCCC2 44869560 OPSAVVGTIHKPSO-UHFFFAOYSA-N 385.518 3.712 30 40 GHEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(C)c1 224653357 PVJRUIQRYKHMKW-UHFFFAOYSA-N 376.434 3.602 30 40 GHEB Cc1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1C 408960749 IMRHKBIWDDFJQB-ZVHZXABRSA-N 375.472 3.868 30 40 GHEB Cc1cccc(-n2nc(C(=O)O)c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)c1 409201078 NMEXXAUFBXTUBG-YFHOEESVSA-N 391.814 3.935 30 40 GHEB N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(Cl)cc1 3274044 WWZQMNFSEMNSQU-AWEZNQCLSA-N 378.240 3.975 30 40 GHEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3cc(Cl)ccc3C)c2)c1 14168910 ZQFVLKKIAXQHPO-UHFFFAOYSA-N 394.814 3.616 30 40 GHEB CCOc1cc(/C=C2\S/C(=N/C(C)=O)NC2=O)ccc1OCc1ccccc1 5652031 NYTJMGZZOWPXIW-UNOMPAQXSA-N 396.468 3.771 30 40 GHEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C/C(=O)c1ccc2ccccc2c1 8053946 RNTVBQGKXNGEOB-SQUSKLHYSA-N 394.496 3.909 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 18197365 KKCYZGXWRJZQED-XIKOKIGWSA-N 393.428 3.664 30 40 GHEB C=CCn1c(Cc2csc(NC(=O)CCc3cccs3)n2)n[nH]c1=S 23041850 ZNUXOXGIIUMTHM-UHFFFAOYSA-N 391.547 3.807 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408942285 YVMMASCIALHGIX-AQTBWJFISA-N 376.412 3.535 30 40 GHEB N#Cc1cccc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1 32610568 MGGKAPCKAUYGGI-UHFFFAOYSA-N 399.223 3.957 30 40 GHEB N#Cc1c(/C=C\c2ccccc2Cl)c(C(=O)O)nn(-c2ccccc2)c1=O 409195895 RXRLUJQSQPDXJC-KHPPLWFESA-N 377.787 3.626 30 40 GHEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OC(=O)c1ccccc1 408889668 ITOURBIDJYIGKX-WSDLNYQXSA-N 392.371 3.664 30 40 GHEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CC)C1 72391178 GNTHBIHKSJEIJC-XMMPIXPASA-N 391.515 3.612 30 40 GHEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1cc(Br)cs1 52847759 YYBQTJNVJBFJLA-NSHDSACASA-N 378.295 3.841 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1 1275365 KKUJUVOEUPSRQJ-UHFFFAOYSA-N 397.456 3.526 30 40 GHEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 5155929 GPPCJXJUFITGLN-UUASQNMZSA-N 385.224 3.948 30 40 GHEB CCOc1ccc(/C(CCC(=O)O)=N/N=C(\S)NCCc2ccccc2)cc1 5832886 NUSITGHYTMUYAW-FCDQGJHFSA-N 399.516 3.772 30 40 GHEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cc([N+](=O)[O-])ccc1Cl 8267833 PSJAYTLREBFEPA-NLJQMMIASA-N 390.779 3.989 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C/C=C\c2ccccc2[N+](=O)[O-])cc1 12467861 YJCNOHIAVMWDAO-WZPIMRLYSA-N 381.417 3.698 30 40 GHEB COc1cc2c(cc1C)/C(=N/OC(=O)c1cc(OC)c(OC)c(OC)c1)CCC2 15686163 SNDJTVHJVZTWCA-HAVVHWLPSA-N 399.443 3.927 30 40 GHEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(OCc3ccccc3)c1)[C@H]1C=C[C@H]2CC1 100237013 VGGZQNVGFUANKB-DGRMGLCBSA-N 386.451 3.797 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 102874784 FFCPCFKPSRLYRE-IDTYTIONSA-N 396.226 3.655 30 40 GHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224808310 VQLYHMQOHAFZTA-UHFFFAOYSA-N 385.844 3.878 30 40 GHEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1ccccc1)[C@H]1C=C[C@H]2CC1 409149777 QPPLNTRXGAPPGB-HMIAAZPWSA-N 386.451 3.797 30 40 GHEB COc1cc2c3c(c1)/C(=N\Nc1nc4ccccc4[nH]1)C(=O)N3C(C)(C)C=C2C 1740816539 JSQPSYWMNUSRGJ-XIEYBQDHSA-N 387.443 3.930 30 40 GHEB COc1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)cc1 872628 UXFPLZJYDJJVSI-UHFFFAOYSA-N 379.441 3.854 30 40 GHEB Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1O 2640998 OIOHCCXOWCVXAN-LLVKDONJSA-N 384.457 3.554 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccncc1 3406086 PYCFRQRXCFEWEU-UHFFFAOYSA-N 391.500 3.746 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 4892866 ASUUYXFAZQGOMM-LQDNNDEMSA-N 397.405 3.575 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 4962651 MVWHVMIUSYVKOC-XSFVSMFZSA-N 389.477 3.903 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cccnc1 8471530 ODRYRBXNKGPWHB-UHFFFAOYSA-N 396.472 3.518 30 40 GHEB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC#N 12652769 NOCJJBUAYBKROF-PDGQHHTCSA-N 380.425 3.834 30 40 GHEB COc1ccc(-c2csc(C3=C(N)N(C4CCCCC4)CC3=O)n2)cc1OC 13550326 IFLZQSLDZFIROI-UHFFFAOYSA-N 399.516 3.672 30 40 GHEB COC(=O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 13943117 CQZVSVNVYLFNFD-DAFNUICNSA-N 398.422 3.692 30 40 GHEB CCOC(=O)c1c(Cn2cnc(C#N)n2)nc2ccccc2c1-c1ccccc1 14143782 HRRKMVFWTQFREH-UHFFFAOYSA-N 383.411 3.590 30 40 GHEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O 18010306 MFUAVIUJZHQKQR-MLPAPPSSSA-N 393.783 3.985 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@H]2c1ccc(C(F)(F)F)cc1 18200679 SYRBITNMSNBEOA-AWEZNQCLSA-N 377.370 3.537 30 40 GHEB O=S(=O)(/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 58070465 LSBYXKFUODPABO-VOTSOKGWSA-N 385.869 3.743 30 40 GHEB CCC1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)CCCC1 84735396 GUQZEZYIAABGJT-UHFFFAOYSA-N 391.537 3.846 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccc(Cl)c1 102929594 MWZDDONAJKGTTA-HVESIFNPSA-N 389.835 3.700 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224652939 LWDWMOQDVZDRJX-UHFFFAOYSA-N 376.434 3.602 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21 226661624 XJEYIBOJDACAPL-AOQSPPRYSA-N 385.467 3.523 30 40 GHEB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)c1 12250991 WIWAILRTORYPAQ-UHFFFAOYSA-N 395.440 3.961 30 40 GHEB COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1I 59426378 KXLLONNZYZFOLN-UHFFFAOYSA-N 390.176 3.762 30 40 GHEB C=CCOc1c(I)cc(CNCC(C)C)cc1OC 4670859 KEXAPLSMSHNGKN-UHFFFAOYSA-N 375.250 3.610 30 40 GHEB CN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=Nc1ccccc1 409100745 WPVOIRMLCJTUBP-YAEVEYJCSA-N 379.485 3.757 30 40 GHEB COc1ccccc1-c1csc(C2CCN(c3cncc(C#N)n3)CC2)n1 521991692 CEEAKRWHEKLQSW-UHFFFAOYSA-N 377.473 3.864 30 40 GHEB CO/N=C(\C)c1ccc(OCC(=O)N[C@H](C)Cc2c(F)cccc2F)c(C)c1 585080994 FKWLPWUUMXMGEP-XMWJKPIOSA-N 390.430 3.770 30 40 GHEB N#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2ccsc2)s1 575414056 NKXHTOAHZVPEQQ-UHFFFAOYSA-N 381.482 3.646 30 40 GHEB Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1cccc([N+](=O)[O-])c1 4910766 HXHABZZNRCROAT-ZSRCWYTLSA-N 382.445 3.757 30 40 GHEB Cc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 6661952 ZTQFEBUPISPDCZ-ORAYPTAESA-N 391.387 3.503 30 40 GHEB CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(OC)c1 20849358 PKDPOKYTYGXNIN-LNVKXUELSA-N 380.400 3.853 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2ccccc2c1=O 10093235 VLJKYMNQIYCEPP-OWCLPIDISA-N 385.533 3.568 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)CCC(=O)c2cc(C)sc2C)n1 6653537 UPIWYRLBGYTDFG-CQSZACIVSA-N 390.486 3.512 30 40 GHEB C=CCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 8371029 VVWUPUJGSGKFFV-UHFFFAOYSA-N 387.365 3.578 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)n1 8707447 WNPUDJCJCRCYMJ-UHFFFAOYSA-N 391.500 3.507 30 40 GHEB CCOc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608220 CIMVCQPWGHAUSD-QFYYESIMSA-N 392.381 3.964 30 40 GHEB C=CCN1C(=O)S/C(=C/c2cc(OCC)c(O)cc2Br)C1=O 409070073 KLSQLTIBOHMMGD-NTUHNPAUSA-N 384.251 3.776 30 40 GHEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(I)c1O 408918290 INFXKPAVDUWFRZ-CNHKJKLMSA-N 396.184 3.838 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc(C(F)(F)F)c2)C1=O 408537499 VSLPQTJLUBAFGE-CQSZACIVSA-N 389.333 3.615 30 40 GHEB O=C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 218244968 UVMUYCQDYVHVMJ-HRCADAONSA-N 399.693 3.857 30 40 GHEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O 2626918 SHQZVPHMKYBPHU-UHFFFAOYSA-N 395.484 3.705 30 40 GHEB COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 1432868 BBDCZIKQLJPARJ-ICSRJNTNSA-N 390.483 3.889 30 40 GHEB COc1cc(C#N)ccc1OC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40129774 UMGXPDXHODXALH-UHFFFAOYSA-N 398.415 3.510 30 40 GHEB C=C(C)Cn1c(=O)n2nc(-c3ccncc3)nc2c2c(CC(C)C)csc21 31818270 ZCRVUVVXDKLRBR-UHFFFAOYSA-N 379.489 3.942 30 40 GHEB COC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCc2ccccc21 2205184 UMDQAYIANHDACP-FXBPSFAMSA-N 388.265 3.800 30 40 GHEB COc1ccccc1/N=C1\NC(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S1 5583164 VIDCYFRSSYEGIS-DHDCSXOGSA-N 390.848 3.954 30 40 GHEB Cc1nc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(C#N)c(C)c1C 6980719 HBMBLVLWBSCHBZ-LJQANCHMSA-N 381.501 3.571 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 13161795 KPKYKVQBLDMUGQ-LJQANCHMSA-N 383.419 3.749 30 40 GHEB CCc1nc2ccccc2n1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 24507165 PZUXXZYFUVQSDJ-UHFFFAOYSA-N 385.389 3.785 30 40 GHEB O=S1(=O)C[C@H](N2CCCCC2)C2=C(O1)c1ccccc1N(c1ccccc1)C2 31761768 ICUOXXXLEILBIC-NRFANRHFSA-N 396.512 3.764 30 40 GHEB Cc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC3)cnc2n1 49004649 KTDWEWZLEVZMGA-UHFFFAOYSA-N 375.407 3.929 30 40 GHEB C=C(C)COc1cc(CNCc2ccc(N3CCO[C@@H](C)C3)nc2)ccc1OC 57963762 GXVJQVBIUBQZOD-SFHVURJKSA-N 397.519 3.560 30 40 GHEB O=C(NCc1ccc(/C=N/c2ccccc2Cl)o1)C(=O)Nc1ccccc1 408875003 HEMCCPUVUISWDB-WSDLNYQXSA-N 381.819 3.939 30 40 GHEB COc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1Br 409092054 SNRPNVKHROKOBE-BAQGIRSFSA-N 375.016 3.536 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409140727 SAYHYNLOSCOCIN-ATVHPVEESA-N 396.855 3.752 30 40 GHEB CCn1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 1614663084 NRNYCMQVFLBUBH-YJBOKZPZSA-N 393.472 3.614 30 40 GHEB N#Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2)c1 3363335 SNGUFBPWZASYRT-JOCHJYFZSA-N 381.435 3.764 30 40 GHEB C[C@H]1CN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)C[C@@H](C)O1 12418842 XHPZTQHUJQBPQH-GASCZTMLSA-N 379.416 3.999 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F 16741705 FHQXGGUKIBWYTL-GOSISDBHSA-N 383.419 3.998 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 20065862 WJIAUISHCRKEOF-OAQYLSRUSA-N 392.499 3.915 30 40 GHEB CCOc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608214 CIMVCQPWGHAUSD-QLJPJBMISA-N 392.381 3.964 30 40 GHEB N#Cc1ccccc1OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 23995190 OBYOBHFALZFIRA-YLSHDAJPSA-N 378.472 3.671 30 40 GHEB CC(C)C(=O)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 25289377 APUIEVIZAIPALA-UHFFFAOYSA-N 375.472 3.602 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc3C2)n(Cc2ccco2)c1C 36437845 OIWJWJYACZFQAA-UHFFFAOYSA-N 388.471 3.615 30 40 GHEB O=c1c2c3c(sc2ncn1/N=C/c1ccccc1Br)CCCC3 44393404 ZUSYLYDJBFJEJK-AWQFTUOYSA-N 388.290 3.982 30 40 GHEB CN1/C(=C\C(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)C(C)(C)c2ccccc21 102803330 SDLGMRWMKHENIJ-RBOBZLGZSA-N 395.499 3.806 30 40 GHEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218550587 VFQWTRVRDPSFET-OKZBNKHCSA-N 379.840 3.575 30 40 GHEB CCC1(CC)CC[C@@H](C(=O)OC)/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5431683 QCBDMLPVBNZKRR-WGBIJJAVSA-N 378.385 3.660 30 40 GHEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 6564495 NGLCOUMYXHNXEU-GOSISDBHSA-N 380.400 3.973 30 40 GHEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 6570030 PYTUCKQKSZWRTE-KEBDBYFISA-N 393.354 3.983 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccc(O)cc1 6890483 IWVSSCZSYQDNPX-WBIPWDCSSA-N 394.430 3.618 30 40 GHEB C=CCN(CC=C)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 7785552 IOFGIZDWWOLNJH-UHFFFAOYSA-N 377.440 3.583 30 40 GHEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/n3c(S)nnc3CC)c2C)cc1 8123570 MSSYGDHMWDLBOP-CIAFOILYSA-N 397.504 3.596 30 40 GHEB C=CCc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc(OC)c1OC 14016994 CGESYEUPXQIGDX-UHFFFAOYSA-N 396.487 3.760 30 40 GHEB COc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(C(C)C)cc2)S1 16676494 KYBDLMPQSFUZLK-MEGCXXLRSA-N 381.501 3.983 30 40 GHEB C=CCOc1ccccc1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC 19928254 DDLOTZASARBCDF-UHFFFAOYSA-N 385.460 3.612 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CC1 20969942 KYYFJMJAUORVAR-UHFFFAOYSA-N 393.856 3.634 30 40 GHEB CC1(C)[C@@H]2CC=C([C@H]3O[C@@]45CCCC[C@@H]4C(C#N)(C#N)[C@@]3(C#N)C(=N)O5)[C@@H]1C2 102819380 QKOHRCZMOIYJBF-GXLNWDMASA-N 376.460 3.815 30 40 GHEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC#N 408812057 BXONRNBMZXEEJO-LCYFTJDESA-N 393.262 3.746 30 40 GHEB COc1ccc(CCNC(=O)N2CCc3c(CC#N)cccc3C2)c(Cl)c1 599008029 FXYIEYNYFORKAK-UHFFFAOYSA-N 383.879 3.725 30 40 GHEB CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795038 ZXOJHURQNJGYEP-LPHOPBHVSA-N 381.428 3.599 30 40 GHEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1cccnc1 2201011 ZYVKUKSBKAZKEZ-UHFFFAOYSA-N 385.221 3.895 30 40 GHEB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC#N)N(C)C2=S)cc1C 6480267 OHZLZYJQPYZMCK-AQTBWJFISA-N 377.469 3.810 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 6586400 BNEYZAQHXWQJBL-OAHLLOKOSA-N 377.444 3.637 30 40 GHEB CCCCOC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C 16807609 ZSFDAMYZYQNLSJ-UHFFFAOYSA-N 383.897 3.607 30 40 GHEB N#Cc1c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc2c1CCCCC2 31813470 WISJGEVBFNJMAO-UHFFFAOYSA-N 395.406 3.708 30 40 GHEB C=CCN(Cc1ccccc1)C(=O)Cn1c(S)nnc1-c1ccc(C)cc1 58201007 NVGHDVBNSSSGBE-UHFFFAOYSA-N 378.501 3.757 30 40 GHEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 100918863 MSSPDEHKDPSLJC-QBEKEKFNSA-N 391.537 3.924 30 40 GHEB COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 169938237 KFVHQJIBBFUDEQ-FQEVSTJZSA-N 382.485 3.656 30 40 GHEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(CC)c2)c1 223752353 AMNGNLXQZDERBN-UHFFFAOYSA-N 375.490 3.643 30 40 GHEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1cccc(C(=O)O)c1 409060461 VOTOOONPEYKPPT-JVTDZOJGSA-N 398.440 3.723 30 40 GHEB COC(=O)c1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 1222316 JCXJQGIHYAMMFM-UHFFFAOYSA-N 391.452 3.932 30 40 GHEB CC(C)=C[C@@H]1[C@@H](/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)C1(C)C 42338774 ITSZTNKNPIXLEP-PBHICJAKSA-N 379.478 3.732 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c1C#N 10711575 QCZVXGRHONVJLZ-GFCCVEGCSA-N 381.457 3.737 30 40 GHEB N#C[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)CCN1Cc1ccccc1 95397249 GZBRRDSGMXQIJQ-IBGZPJMESA-N 389.421 3.838 30 40 GHEB CC(C)[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 11092797 DRPXGGHMOHKAEJ-VFNWGFHPSA-N 379.460 3.643 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13004419 TYNFSTPUGGNROD-INIZCTEOSA-N 377.444 3.590 30 40 GHEB C#CCCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F 96001929 XKSAEUSKCBUPQV-UHFFFAOYSA-N 381.442 3.979 30 40 GHEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC)nc(N)c32)cc1 4331384 SMUPDCFOKKKTKW-OAHLLOKOSA-N 396.516 3.990 30 40 GHEB C=CCN1C(=O)/C(=C\c2nc(C#N)c(Nc3ccc(OC)cc3)o2)SC1=S 6414353 MLFXAKMSWZHREG-NTEUORMPSA-N 398.469 3.686 30 40 GHEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(N2CCOCC2)cc1 38202812 DBOJEUJQDKILNX-UUYOSTAYSA-N 394.353 3.896 30 40 GHEB Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 251510968 ZTSPBPNDBJBNIK-RZKGAYBFSA-N 386.451 3.715 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccccc1 13354169 HYVYMNCZRJLWCX-UHFFFAOYSA-N 394.456 3.560 30 40 GHEB Cc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@H](c3ccco3)CC1=O)N2 19959972 ZTUIJVZAXLXEKS-HXPMCKFVSA-N 391.387 3.503 30 40 GHEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc(O)cc1 101379001 XCQYFDUPFKOLRU-OQKWZONESA-N 377.429 3.706 30 40 GHEB COc1ccc2nc(/C=C3/S/C(=N/c4nccs4)N(C)C3=O)ccc2c1 101502238 CTRNCOVSXAIXMD-REFVHMSQSA-N 382.470 3.934 30 40 GHEB COc1cccc2ccc(/C=C3/S/C(=N/c4nccs4)N(C)C3=O)nc12 101513877 CWRGHOYYRSTQRT-OWKFPJDHSA-N 382.470 3.934 30 40 GHEB COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 1432869 BBDCZIKQLJPARJ-UYAOXDASSA-N 390.483 3.889 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2ccc(C)cc2)[C@H]2C[C@]1(C)Oc1ccccc12 4145041 ITYCOBHEGFQMOE-LEDOBFOHSA-N 376.456 3.860 30 40 GHEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(OCc2ccccc2)cc1 5009291 WBJHMPQNVSMJJL-UHFFFAOYSA-N 396.450 3.859 30 40 GHEB C=CCn1c(SCC(=O)NCCC#N)nnc1-c1ccc(Cl)cc1Cl 5535733 AXUGMCOXBJOBEF-UHFFFAOYSA-N 396.303 3.560 30 40 GHEB COC(=O)[C@@H](C)CN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1C#N 84638248 IKDJDZMKPSKEAA-ZDUSSCGKSA-N 377.366 3.788 30 40 GHEB COc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102727900 XCSHFGATYGRNNT-GROYHEBESA-N 396.424 3.679 30 40 GHEB C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 219644293 NHXPORUGCALWFB-UHFFFAOYSA-N 379.416 3.582 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408799704 HRWWCNHJWGYJES-QGOAFFKASA-N 376.412 3.535 30 40 GHEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409323841 PVUFCZVKGXWHTD-GFCCVEGCSA-N 385.265 3.950 30 40 GHEB COc1ccc(CNC(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 915349 FECJAXDSMJWFSK-UHFFFAOYSA-N 393.468 3.532 30 40 GHEB C=CCNC(=O)COc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 8991119 NSEIPSDEPJLRIB-UHFFFAOYSA-N 395.411 3.583 30 40 GHEB C=CCN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 12799863 HAHOWVXJHANMSK-UHFFFAOYSA-N 381.505 3.740 30 40 GHEB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)c3ccc(C#N)cc3)[C@@H](C)[C@H]21 20466497 XWCGKGJZGRUIBA-IOGDBTPVSA-N 380.488 3.681 30 40 GHEB biogenic,in-vitro COc1ccc(CCC(=O)N2CCS/C2=N\Cc2ccccc2)cc1OC 2651291 FPORTMJDXLJOKI-DQRAZIAOSA-N 384.501 3.768 30 40 GHEB COC(=O)c1sc(NC(=O)COc2ccc(Cl)c(C)c2)c(C#N)c1C 4454695 SZLVBSKRUGSZTO-UHFFFAOYSA-N 378.837 3.694 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccco4)nc13)O2 5352010 FAJUQGLAMLDVCZ-KRWDZBQOSA-N 384.395 3.916 30 40 GHEB C=CCN(c1ccc(C(=O)NCCCCC)cc1)S(=O)(=O)c1ccccc1 224374618 DDLSWZHWBJTCDP-UHFFFAOYSA-N 386.517 3.988 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 4173430 CSSWTHIEYODGDG-UHFFFAOYSA-N 398.484 3.504 30 40 GHEB COc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 1430130 QHJVHEVFLOYSSY-UYAOXDASSA-N 390.483 3.889 30 40 GHEB C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)NC1CCCCC1 2746369 YLZQBVYIYUKLCE-CYBMUJFWSA-N 382.489 3.650 30 40 GHEB COc1ccc(NC(=O)C[C@H]2S/C(=N\N=C(/C)CC(C)C)N=C2O)cc1 4577148 KGYQXWWFHPEQHL-VRCTWVPOSA-N 376.482 3.874 30 40 GHEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OC(F)F 4598019 RYCXWUMAGURUJX-MRXNPFEDSA-N 390.390 3.546 30 40 GHEB N#Cc1cccc(Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 5451024 LJADTZXWMQRAFP-UHFFFAOYSA-N 376.416 3.516 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 5476020 WANQVNKOSNBOHC-UHFFFAOYSA-N 393.212 3.876 30 40 GHEB N#Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1Cl 20989057 OFXHRIOVGCJZST-UHFFFAOYSA-N 392.846 3.900 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1nccs1 96026154 FQOCROWPZDEFGR-WVCJAJDESA-N 386.502 3.598 30 40 GHEB CC/C(=N\OC/C=C/Cl)C1=C(O)C[C@@H](C[C@@H](C)[S@@](=O)CC)CC1=O 100222862 UABMGBLIZYILDD-ALKQRFDJSA-N 375.918 3.860 30 40 GHEB in-vitro Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 112254769 YFPPXFOMBMKNNX-UHKPRWGTSA-N 386.451 3.715 30 40 GHEB C=CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)s1 224076463 HZFLPQCENWQYLH-CQSZACIVSA-N 392.525 3.806 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC 19202046 OEFZXCXADXDMLT-FQEVSTJZSA-N 399.487 3.871 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1 23114550 DBXJFAXTNCFPDC-SFHVURJKSA-N 390.395 3.726 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1OC 2776590 VVFAQQJSTJHJFY-FQEVSTJZSA-N 385.460 3.625 30 40 GHEB Cc1ccnc(NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1 8398664 GRUZTEFNBWFIKA-LLVKDONJSA-N 382.182 3.523 30 40 GHEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccc(F)cc1)n1ncnc1N2 17028094 GGZIOZHHWPZWLN-RNODOKPDSA-N 376.391 3.539 30 40 GHEB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)/c(=N/OC(C)=O)oc12 67350854 NPPYPHAWJVGNHR-QOCHGBHMSA-N 386.791 3.726 30 40 GHEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408851636 DVYVQQHRWLWDNN-PDGQHHTCSA-N 379.441 3.798 30 40 GHEB C=CCc1cc(/C=N\Nc2nc(C)cc(COC)c2C#N)cc(OC)c1OCC 32115659 LWLRZISKKGZLIS-CFRMEGHHSA-N 394.475 3.990 30 40 GHEB C[C@@H](C1CC1)n1nccc1NC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 529069853 OMUGVLWFAMXJHS-HNNXBMFYSA-N 379.464 3.553 30 40 GHEB CN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C(=O)O)cc1 33497902 NDVZEFBVDZWCTC-HBVQVORYSA-N 388.832 3.978 30 40 GHEB Cc1ccc(-c2nc(C#N)c(N3CCC[C@@H](C(=O)N4CCC(C)CC4)C3)o2)cc1 72238709 QNJVSQTUBBJANM-LJQANCHMSA-N 392.503 3.997 30 40 GHEB C#CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 226257078 XQAWMFGTOZYWQV-VMPITWQZSA-N 376.162 3.807 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2ccccc2c1=O 624734 PUVZDONROQJLFI-UHFFFAOYSA-N 395.484 3.712 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1C 13747498 WHLNCOCERGOKLL-UHFFFAOYSA-N 375.222 3.655 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c1 19131962 MNPHWUTVFOHHCH-LJQANCHMSA-N 398.528 3.895 30 40 GHEB CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC 4136507 LBPUMDZYLHYBRO-FQEVSTJZSA-N 399.487 3.871 30 40 GHEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1cccs1)NC(=O)C[C@H]2c1ccccc1 4717926 CUYCJFPTSKHURM-BXTJHSDWSA-N 395.480 3.542 30 40 GHEB Cc1ccc(COc2ccc([C@H]3C4=C(CCCC4=O)Nc4nnnn43)cc2)cc1 958975 JFWXAYZWIIGJRU-NRFANRHFSA-N 387.443 3.583 30 40 GHEB C=C(C)CN(CC)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 12536181 XLZMRCBLOCWMHU-UHFFFAOYSA-N 378.519 3.516 30 40 GHEB Fc1ccccc1-c1cs/c(=N\C[C@@H]2CCCO2)n1/N=C/c1cccnc1 7612062 JATOLTDZWSSLDQ-LNLWINQQSA-N 382.464 3.713 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 8410926 ZRJHSBPYERXVFN-KSVHXXFXSA-N 388.537 3.684 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 408883566 VQNOVQOACDEUNK-UDWIEESQSA-N 399.428 3.784 30 40 GHEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cccc3ccccc23)C1=O 409080897 OJHGASUJPVRXIT-VBKFSLOCSA-N 381.453 3.798 30 40 GHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1F 15932380 YWVHZLCVIQIBAA-FQEVSTJZSA-N 378.403 3.834 30 40 GHEB C=CCn1c(SCC(=O)N(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 2889092 SKALFHOPAOTFAZ-UHFFFAOYSA-N 399.541 3.800 30 40 GHEB C=C(C)C[C@H]1N(c2cccc3ccccc23)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 5216977 UNQJGGLNVXXYSR-ISKJSYKVSA-N 375.424 3.546 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803507 WKDVPOVBGUPKFL-WOOAAIBNSA-N 390.395 3.618 30 40 GHEB COc1ccc(C(=O)C[n+]2ccc3c(nc(C)n3C)c2Cc2ccccc2)cc1 2604438 WWCTWPHKAHHQBM-UHFFFAOYSA-N 386.475 3.652 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(Br)cc4)cnc3c2c1 4118934 CJHAUQFPRLMWFP-ZVBGSRNCSA-N 397.232 3.531 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)no1 5800517 JKXFAMAFOMJDIO-SFHVURJKSA-N 394.358 3.611 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1)c1ccco1 6813507 TURNBONUJURNIW-HNNXBMFYSA-N 381.775 3.506 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 18197366 YXBIBRAWAVPYQB-KPZWWZAWSA-N 393.428 3.664 30 40 GHEB Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19959930 JWUZKUKDUYMMJY-YCRPNKLZSA-N 389.459 3.661 30 40 GHEB Clc1ccc(CN2CCN(/N=C/c3c(Cl)nc4ccccn34)CC2)cc1 25514619 IGRQRDPSNDWGLF-LPYMAVHISA-N 388.302 3.793 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCSc2ccccc21 31792091 JPNNNBRRGBEDPU-SFHVURJKSA-N 391.500 3.504 30 40 GHEB Cc1ccc(SCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1C 32669919 ABDBPMWFRYWFRE-UHFFFAOYSA-N 382.485 3.886 30 40 GHEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220538540 FTQVRCXTRJMHTG-IBGZPJMESA-N 399.516 3.553 30 40 GHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224904533 IVBNZDVYPLMAHC-UHFFFAOYSA-N 388.489 3.814 30 40 GHEB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408730200 GAVSMHKYSDVEDL-OAQYLSRUSA-N 380.444 3.881 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408876759 NKNVJJSCEKKYRW-CAOOACKPSA-N 377.813 3.833 30 40 GHEB O=C(O)c1ccc(COc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)cc1 409104380 YOOVDFUFJPVAOH-WSDLNYQXSA-N 392.371 3.713 30 40 GHEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)COc3ccc4ccccc4c3)C2)c1 575614301 YQPIKXDHMDRQPK-NRFANRHFSA-N 387.439 3.555 30 40 GHEB C#CCOc1cc(F)ccc1NC(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 79054210 JZNIUYSOKFVNLQ-UHFFFAOYSA-N 398.434 3.561 30 40 GHEB O=C(C[n+]1ccccc1)c1ccc(-c2ccc(C(=O)C[n+]3ccccc3)cc2)cc1 1665816 FVCGQIIAZWRYGC-UHFFFAOYSA-N 394.474 3.694 30 40 GHEB COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1C 996814 JALUPDYANCDTEL-NKWDDMGQSA-N 397.500 3.902 30 40 GHEB O=S(=O)(c1ccccc1)c1ccccc1/C=N/Nc1nc2ccccc2[nH]1 59417087 COTCQKXBYDKIRG-KGENOOAVSA-N 376.441 3.842 30 40 GHEB COc1cc(Br)c(/C=C2\Cc3c(O)cccc3C2=O)cc1OC 11336165 FOPZTAFQPLNARV-IZZDOVSWSA-N 375.218 3.994 30 40 GHEB Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 22608745 CDCRZEFVPPZHRS-YJYMSZOUSA-N 391.387 3.503 30 40 GHEB C=CCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 5065971 XTLXYEMMSCXGOI-UHFFFAOYSA-N 391.862 3.936 30 40 GHEB CCOc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c1 9484277 UTDGHXBPGAOJIU-XOBRGWDASA-N 376.416 3.686 30 40 GHEB C=CCc1cc(/C=N/NC(=S)NCC)cc(OC)c1OCc1ccccc1 409373496 UGSNPPOZNINRDA-OEAKJJBVSA-N 383.517 3.821 30 40 GHEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)c(C)c1 409111042 ADZAOXRNMOYSPF-SRZZPIQSSA-N 380.360 3.791 30 40 GHEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 409068643 HLKLNJYAIHUPNO-UFWORHAWSA-N 384.270 3.976 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1 225824491 QOVVLBGGDJKPRB-UHFFFAOYSA-N 396.472 3.797 30 40 GHEB COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 1436655 SFZMBCNQVCCUET-LJQANCHMSA-N 392.430 3.780 30 40 GHEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@]4(C)OC(=O)C[C@H]32)C1 5217699 RZDJJWQUCPCDTP-BHRFRKIESA-N 388.504 3.992 30 40 GHEB CCOC(=O)CN(C(=O)CSc1nc(C)cc(C)c1C#N)c1ccc(C)cc1 8653865 HTJCDIRBEHKOAJ-UHFFFAOYSA-N 397.500 3.567 30 40 GHEB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)nc1 12516655 PNWOYCJDFYXKKZ-UHFFFAOYSA-N 379.441 3.961 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 13004911 UNPNUKGMKMGGJH-HXUWFJFHSA-N 395.455 3.618 30 40 GHEB Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2 18200625 WHGCJJNTZUDZDV-GTNSWQLSSA-N 381.823 3.522 30 40 GHEB C=CCN1CCN(C(=O)CCC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19501433 DVZBSPMICOIEQK-QFIPXVFZSA-N 391.515 3.564 30 40 GHEB CCOC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 20458519 HDRDSMSOSCFYFX-LBPRGKRZSA-N 387.530 3.713 30 40 GHEB CCCCn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2ccsc2c1=O 57426445 RZSDYLKCZSECOX-UHFFFAOYSA-N 398.513 3.861 30 40 GHEB Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3ccccc3C(F)(F)F)cn2)n1 58380466 ZHWCPEQRUWRLSA-UHFFFAOYSA-N 389.381 3.740 30 40 GHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224761714 MWCJJZUSMAOLAO-UHFFFAOYSA-N 376.434 3.763 30 40 GHEB CCOc1cc([C@@H]2NC(=N)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408731894 QNIZJEQFLCZFKI-NRFANRHFSA-N 379.460 3.696 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408801605 UVOTVPAXKQRMKA-QGOAFFKASA-N 376.412 3.535 30 40 GHEB CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(O)c2)cc1CN1CCOCC1 12767502 LYNAEGQJSAVXHS-QPJJXVBHSA-N 397.471 3.528 30 40 GHEB C[C@@H](NC(=O)c1ccccc1NC(=O)CO/N=C/c1ccco1)c1ccccc1 3337346 JGSAXIRJVGIOSV-BRABVMKYSA-N 391.427 3.760 30 40 GHEB C=CCc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1O 100756018 GSMLUUQUTSQDJF-WIYYLYMNSA-N 376.504 3.773 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cccc(Cl)c21 100909935 LAXPVBCQQNZLLL-VZCXRCSSSA-N 386.860 3.748 30 40 GHEB Cn1ncc(/N=C\c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccco1 2798320 GDVBGLNJXGNFQS-AFPJDJCSSA-N 376.338 3.713 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc12 5446371 PFTFFQXWAAZGPR-XSFVSMFZSA-N 383.429 3.759 30 40 GHEB Cc1ccc(S(=O)(=O)NN=C2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 4979657 HZTOSYHGFSWEMY-UHFFFAOYSA-N 387.461 3.895 30 40 GHEB CCOc1cc(/C=N/O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409076156 YURPNOQUVQQQOF-DJKKODMXSA-N 394.221 3.933 30 40 GHEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)NC1=S 408903707 WXCBADMXTHQDOO-RVDMUPIBSA-N 399.903 3.560 30 40 GHEB Cc1nsc(N2CCN(Cc3ccc(-c4ccncc4)cc3F)CC2)c1C#N 517002640 SBBADKQUCSAJRQ-UHFFFAOYSA-N 393.491 3.847 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 225778708 PIXFZEYPASXCIZ-UHFFFAOYSA-N 397.544 3.570 30 40 GHEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024661 PCOBJFWOAWJXIG-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=NNc3cccc(C)c3)o2)cc1 254397807 ITSMDGKHHPAPFT-UHFFFAOYSA-N 397.456 3.526 30 40 GHEB N#Cc1c(F)cccc1NCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 47332766 YIKAVHOLODGXNP-UHFFFAOYSA-N 389.434 3.602 30 40 GHEB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1OC 5367200 JTTXCRZQGNQFOS-HBIYDYFMSA-N 394.427 3.549 30 40 GHEB Cc1ccc(C)c2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2087048834 MHJWBZPIYZTHTF-CALCHBBNSA-N 375.501 3.752 30 40 GHEB CCOC(=O)/C(=C/c1ccc(C#N)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1 33662737 KTXTURUFTYRHJI-OQLLNIDSSA-N 379.441 3.577 30 40 GHEB CCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)cc(C)c1O 1237202 ODZYPXIYMMUOQN-KEBDBYFISA-N 386.249 3.618 30 40 GHEB CS/C(=N/S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1 5611925 RWONYDULVXACIC-UHFFFAOYSA-N 385.308 3.969 30 40 GHEB C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCC=C)s2)n1 6748095 CFWOACKXEBUXJZ-UHFFFAOYSA-N 385.927 3.790 30 40 GHEB Cc1ccc(Nc2nnc(SCC(=O)N(C)CCC#N)s2)cc1Cl 9112949 ZYYIRUBKUNMVMG-UHFFFAOYSA-N 381.914 3.708 30 40 GHEB C=CCOc1ccc(-c2nonc2NC(=O)c2cc3ccccc3oc2=O)cc1 12409769 AKVPLNZCTORCSP-UHFFFAOYSA-N 389.367 3.660 30 40 GHEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NC[C@@H]4CCCO4)o3)o2)cc1 12418959 NDGQZBCIQIZNGE-INIZCTEOSA-N 395.415 3.985 30 40 GHEB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl 12803359 PFSQSTNNRVVDJG-LJQANCHMSA-N 391.924 3.573 30 40 GHEB CCOC(=O)Cn1c(C)c(/C=N/NCc2ccccc2OC)c2ccccc21 20762184 GMECTSWRRVZCHB-ZVHZXABRSA-N 379.460 3.645 30 40 GHEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 78549527 QBHFCVQZDSXXDP-HNNXBMFYSA-N 380.473 3.806 30 40 GHEB C/C(=N\OCC(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1ccc2c(c1)OCO2 96297744 VLMLVVCHGBBZJZ-LSFURLLWSA-N 396.230 3.684 30 40 GHEB O=C1C(=O)N(c2ccccn2)[C@H](c2cccnc2)/C1=C(\O)c1ccc(Cl)cc1 102649430 PVGMBBAUNWHESG-SELCWUDQSA-N 391.814 3.756 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc(Br)cc2)cc1 102800849 FQJVSXUSLZJKAZ-IBOXJLQUSA-N 386.245 3.809 30 40 GHEB C=CCN(Cc1ccc(OC)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 54272713 OBNJPSOBWJFLJY-UHFFFAOYSA-N 380.404 3.842 30 40 GHEB COc1c2c(cc3c1[C@H](C#C[C@@]1(C)CCCC(C)(C)O1)[N+](C)(C)CC3)OCO2 1280228 XPNINXWCURKQBU-GAJHUEQPSA-N 386.512 3.839 30 40 GHEB biogenic Cc1ccccc1C(=O)O/N=C/c1c(N2CCOCC2)n(C)c2ccccc12 1389821 RLVILEVPFWWDKZ-HZHRSRAPSA-N 377.444 3.514 30 40 GHEB O=C1C=CC(=O)[C@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100437603 NLQWHIOPRSWUAS-KXOWCNOMSA-N 380.869 3.772 30 40 GHEB CCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 2096704 SGPVBDXMKZZXGX-LDADJPATSA-N 397.294 3.550 30 40 GHEB COc1cccc(/C=N/c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1O 4662622 ZBLFERRIGWOZJM-KGENOOAVSA-N 388.489 3.762 30 40 GHEB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)NC1(C#N)CCCCC1 14812099 YMTUYHCRDFSXSR-SIFUEBAJSA-N 377.444 3.522 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)c(Cl)c1 19804840 AWGJTPJNDKAZIV-KRWDZBQOSA-N 381.815 3.787 30 40 GHEB CCSc1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)s1 8876539 FGCFDVNHVXPDQV-UHFFFAOYSA-N 382.511 3.828 30 40 GHEB C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1OCC 143722371 KGCAGVICZUPSIZ-UYRXBGFRSA-N 392.480 3.593 30 40 GHEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCc1ccccc1 5236531 DDUIFZHVFYZUNS-FYJGNVAPSA-N 382.489 3.989 30 40 GHEB COc1ccc(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)c(O)c1 4024320 IHHTZOONCURBSJ-GORDUTHDSA-N 391.217 3.926 30 40 GHEB biogenic Cn1c2ccc(Br)cc2c2nnc(N/N=C\c3ccc(F)cc3)nc21 31857594 WZCDMPGNMDRBBZ-UKWGHVSLSA-N 399.227 3.864 30 40 GHEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1Cl 657725 PFQLVSDEENVTET-DNTJNYDQSA-N 384.288 3.748 30 40 GHEB C=CCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 4901288 ANJZZUSDARYVNO-UHFFFAOYSA-N 388.427 3.566 30 40 GHEB CN(C)S(=O)(=O)c1cccc(N/C(S)=N\C23CC4CC(CC(C4)C2)C3)c1 5659639 WEAHIEDOBKQNLM-UHFFFAOYSA-N 393.578 3.603 30 40 GHEB CCc1cccc(C)c1N1C(=O)C[C@@H](S/C(=N/c2ccccc2)NC#N)C1=O 13573812 WISWCWORESMYMO-QGZVFWFLSA-N 392.484 3.681 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 103026430 RZBONVFTQSIPER-PTPABZONSA-N 398.509 3.842 30 40 GHEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC1CC1 408560145 BOSDEVRPSLTWPK-UHFFFAOYSA-N 378.501 3.579 30 40 GHEB C#CCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 408609989 PVTSCBMTSUOXPV-UHFFFAOYSA-N 391.221 3.990 30 40 GHEB CCOc1cc(/C=N/N=c2/scc(C)n2CC)cc(Br)c1O 2887883 VCDWRIFAKPEDFG-FUMQFTAPSA-N 384.299 3.680 30 40 GHEB N#Cc1nc(-c2ccccc2Cl)oc1N1CCN(C(=O)c2ccccc2)CC1 12418311 FLODYOCPHXTGEG-UHFFFAOYSA-N 392.846 3.829 30 40 GHEB C#CCn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c2ccccc21 4933332 JIAQMOVMHSSFEU-GZTJUZNOSA-N 396.468 3.653 30 40 GHEB N#Cc1cccnc1N1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1 55740342 WITDJFPYXWXODV-UHFFFAOYSA-N 380.517 3.636 30 40 GHEB CCOC(=O)Nc1ccc2c(CN(C)Cc3cccc(C#N)c3)cc(=O)oc2c1 26324620 ZJYVFGCKQGEHBF-UHFFFAOYSA-N 391.427 3.865 30 40 GHEB CCOC(=O)COc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 108097643 ILPVMDWEAXYZLL-LIJALFLSSA-N 388.470 3.503 30 40 GHEB CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58265005 XRVJOQDMGKSSFM-JOCHJYFZSA-N 376.504 3.612 30 40 GHEB CC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O 2349101 FFNJZZGPBUHMTG-BUDGLOEYSA-N 382.445 3.839 30 40 GHEB COc1cc(/C=N/OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1 3579050 LKVSSLQJUOHXKZ-WSDLNYQXSA-N 395.415 3.560 30 40 GHEB C[C@H](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)NC(=O)C1CCCC1 96013341 LAWRCQFEDFUQST-CYBMUJFWSA-N 382.287 3.973 30 40 GHEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(C)c(C)c2)N(C)C1=O 4680949 SFUURQLTRUCUBL-ZREAOVPFSA-N 397.500 3.902 30 40 GHEB N#CCCN(/N=C/c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21 5777278 CAKUZZACAQTPMM-HZHRSRAPSA-N 388.452 3.538 30 40 GHEB C=CCN1C(=O)/C(=N\Nc2oc(-c3ccc(C)cc3)nc2C#N)c2ccccc21 4812651 LPJJBLPIYLGPSV-PLRJNAJWSA-N 383.411 3.871 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)o1 6813274 GUFLMJGEEYIRGP-INIZCTEOSA-N 395.802 3.814 30 40 GHEB Cc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 408536393 RFPMMBAAICSARC-HNNXBMFYSA-N 389.333 3.615 30 40 GHEB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 22756418 HEEPIKDLEVDKEV-UHFFFAOYSA-N 397.477 3.735 30 40 GHEB Cc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1C 408741434 LYIGOODZXUCPSB-PPAWOMOGSA-N 385.876 3.723 30 40 GHEB Cc1ccc(S(=O)(=O)OCCC(F)(F)C(F)(F)Br)cc1 98210516 BMEJTDUNYOBAKB-UHFFFAOYSA-N 379.169 3.713 30 40 GHEB C[C@H](C#N)Oc1ccc(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 92704437 ZVNWKOOLCBAAEA-GOSISDBHSA-N 397.482 3.720 30 40 GHEB N#C[C@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516981 YOKFVECABJTTSG-INMHGKMJSA-N 396.251 3.528 30 40 GHEB COc1ccc([C@@H]2O[C@@]34CCCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 5064374 JERHUPHLSFJQFB-ZCLUNYJNSA-N 376.416 3.594 30 40 GHEB CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 5673557 OZBCLCBZGFTEGI-GOSISDBHSA-N 397.500 3.950 30 40 GHEB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 6851837 IZKAOAQEANJMJF-CQSZACIVSA-N 383.835 3.520 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nc1 23994892 WKWOQODAKJQGOW-UHFFFAOYSA-N 390.365 3.707 30 40 GHEB O=C1C=CC(=O)C2=C1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104080570 ZGKZODKOAMGYRM-UWVGGRQHSA-N 378.853 3.837 30 40 GHEB C=CCNC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 2702124 DLWUHDRWCAALEP-IVSAPZPHSA-N 399.903 3.943 30 40 GHEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)O 409049940 ROYIOJXVFOHFOT-DJKKODMXSA-N 378.768 3.861 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4cccnc4)nc13)O2 5348647 HIAGFSBWKDNSOS-SFHVURJKSA-N 395.422 3.718 30 40 GHEB C=CCn1c(SCC(=O)NC(=O)Nc2ccccc2F)nc2ccccc21 6648591 OESQYTSDKKVCMF-UHFFFAOYSA-N 384.436 3.802 30 40 GHEB CCCCCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C 8396625 TYSZZCQEGDCCET-UHFFFAOYSA-N 377.533 3.776 30 40 GHEB C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)OC 17076817 WWYGIQXSLPNVCJ-UHFFFAOYSA-N 375.494 3.606 30 40 GHEB C[C@H](SCc1ccccc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 89420149 HNVUPDGPQQITQL-IBGZPJMESA-N 393.556 3.914 30 40 GHEB NC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCCC2 12403730 USJUBHRVUQVEKJ-UFWORHAWSA-N 379.279 3.945 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 4472964 USORJRHLNNXVIC-YUCJCZDXSA-N 375.400 3.555 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1 20171832 MXOQBZXMDSUJSG-LJQANCHMSA-N 398.528 3.977 30 40 GHEB N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1 32682219 ZZQKPWHANLYCJD-GOSISDBHSA-N 395.415 3.512 30 40 GHEB COC(=O)c1cc(/N=C/c2c(O)ccc3ccccc23)ccc1N1CCOCC1 102414103 BJELQHPFCRYKQZ-BUVRLJJBSA-N 390.439 3.919 30 40 GHEB C=CCN(C(=O)CCn1c(=O)n(CC)c2ccccc21)[C@@H]1CCc2ccccc21 32915479 YPHOBHWAXFMFRO-HXUWFJFHSA-N 389.499 3.915 30 40 GHEB CCCCCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 3062449 ADCQVTMNWSUYBG-UHFFFAOYSA-N 389.544 3.554 30 40 GHEB COc1cc(/C=N/N)ccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 26919839 MHRNPBMSTVMZHS-GDQCRLHRSA-N 389.455 3.536 30 40 GHEB CCCCCCCCNC(=O)C[C@@H]1S/C(=N\N=C\c2ccco2)N=C1O 100167950 VAAXDQYYNVCKHE-NPRIEWAGSA-N 378.498 3.908 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccc(O)cc2O)c([N+](=O)[O-])c1 53218878 MLHGXLBSSVHOAR-XUTLUUPISA-N 394.343 3.779 30 40 GHEB O=C(C(=CNc1cnc2ccccn2c1=O)C(=O)c1ccccc1)c1ccccc1 4092027 SIRFGIOAIGIECO-UHFFFAOYSA-N 395.418 3.756 30 40 GHEB Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C#N)c(C)c1C 5172699 WUBGOYMHKILOHQ-GFCCVEGCSA-N 394.500 3.735 30 40 GHEB C=CCc1cc(/C=C2\SC(=S)N=C2O)cc(OCC)c1OCC(=O)O 13881643 LFNPJONSXHBYAU-JYRVWZFOSA-N 379.459 3.606 30 40 GHEB N#Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccc(Br)cc3)[nH]n1)CC2 559473980 KQRSVGSJVFKKTQ-UHFFFAOYSA-N 393.244 3.914 30 40 GHEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccsc1)C2 585106907 KYTRTULMUIOYHC-JOCHJYFZSA-N 390.512 3.610 30 40 GHEB Cc1cncc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)c1 585295093 ZUCSLWHFTUQSPD-SFHVURJKSA-N 376.489 3.616 30 40 GHEB C=CCNC(=S)/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21 3177145 DXKZYWMYHDMPTE-LTGZKZEYSA-N 387.306 3.514 30 40 GHEB N#Cc1cccc(N2CCOC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)c1 1204224116 QRMPXKDLKVTFQE-QHCPKHFHSA-N 397.469 3.955 30 40 GHEB COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 6167228 HYMDHKMEHHDYTB-LPXFMOJISA-N 398.411 3.569 30 40 GHEB biogenic Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 5691036 IMOZVVRFTGLEME-MAUKXSAKSA-N 383.469 3.814 30 40 GHEB C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NC4CC4)cc3)c(=O)c2c1 20426945 GDQXHXOCSCHDNK-UHFFFAOYSA-N 389.455 3.541 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@H](CC)C(=O)N2c2ccccc2)cc1 4538109 VIEATHUZUHWCKL-NHKNDPDJSA-N 388.514 3.852 30 40 GHEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1O 4579638 RLGMJXCKTAMTNH-RIYZIHGNSA-N 375.793 3.845 30 40 GHEB CCOC(=O)c1c(NC(=O)CN=C(SC)SC)sc2c1CCCC2 5461227 KZYZTCBEUMEQRA-UHFFFAOYSA-N 386.564 3.824 30 40 GHEB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)NC1(C#N)CCCCC1 6558630 UOWFXERDCUWWES-PCUGXKRQSA-N 377.444 3.522 30 40 GHEB C=CCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)OCC)cc1OC 32743603 AHHYFXKKXHCGJT-SOFGYWHQSA-N 384.388 3.910 30 40 GHEB Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(C(=O)O)c2)c1 57878114 GSBAZNYEPNVTEE-GOSISDBHSA-N 379.412 3.818 30 40 GHEB C/C(=N\CCO)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O 102863701 QZEUNWXBFZBVFM-FYJGNVAPSA-N 378.457 3.656 30 40 GHEB COC1=C(Nc2cccc(C)c2)C(=O)C(OC)=C(Nc2cccc(C)c2)C1=O 1680322 ANRKHNOTUJDALO-UHFFFAOYSA-N 378.428 3.695 30 40 GHEB N#C[C@@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1 2318061 ABYQOMCFAGECSS-GOSISDBHSA-N 385.471 3.544 30 40 GHEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 4047965 URYUJNFIXBZCPK-SRZZPIQSSA-N 393.359 3.923 30 40 GHEB N#Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1 4058619 FWLPFKHMTBITFH-UHFFFAOYSA-N 384.439 3.735 30 40 GHEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(N(C)C)cc1 5931287 DTPVECSAUYDXJB-INIZCTEOSA-N 396.516 3.512 30 40 GHEB C=CCN(C(=O)CSc1nc(C)cc(N)n1)c1nc(-c2ccccc2)cs1 7048974 TUHRNSBEGVNGMU-UHFFFAOYSA-N 397.529 3.802 30 40 GHEB COc1ccccc1[C@H]1N/C(=N/c2cccc(C)c2)N=C2N=C(C)C=C(O)N21 8741210 CLQRXHJCCVPROQ-IBGZPJMESA-N 375.432 3.825 30 40 GHEB N#Cc1cccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)c1 32441875 VHSRRTTXNLUCFL-UHFFFAOYSA-N 392.480 3.754 30 40 GHEB CC(C)[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)cc1 32795310 KNGFESKFOHDEBC-HXUWFJFHSA-N 397.910 3.836 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)OCc1cn2ccccc2c1C#N 32898790 OTQQBWBUAJPVAY-BQYQJAHWSA-N 392.411 3.593 30 40 GHEB COc1ccc(C(C)=O)cc1CO/N=C(/N)c1cc(Br)cs1 55047552 GIIRBYKSUPISJD-UHFFFAOYSA-N 383.267 3.559 30 40 GHEB COc1ccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c(OC)c1 100289731 WKBURJROCQQBGK-WYMPLXKRSA-N 386.411 3.729 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 100455270 ZRVAEFGZESTGQL-NHFXJNLRSA-N 379.456 3.878 30 40 GHEB C#CCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(Br)ccc21 100875343 QCRILFISOVXKDS-ZZEZOPTASA-N 385.286 3.769 30 40 GHEB COCCCNc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-] 226362774 XMPLCKOVQBDOPZ-UHFFFAOYSA-N 378.388 3.558 30 40 GHEB COc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1[N+](=O)[O-] 409042285 KBTUWQZZQMGKJX-UHFFFAOYSA-N 382.416 3.647 30 40 GHEB CCc1ccc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)cc1 409364228 WFEMBSIZVSLAAE-UHFFFAOYSA-N 386.455 3.954 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccn1-c1ccc2ccccc2c1 409407126 KXYXFDMOQJBSDU-YHDSQAASSA-N 381.435 3.772 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(-c2ccsc2)o1 575610488 NYQKHIZPPHTIDG-UHFFFAOYSA-N 385.832 3.788 30 40 GHEB COc1ccc(CCNc2oc(COc3ccccc3OC)nc2C#N)cc1 730235 ZHAVGRVWATYLHU-UHFFFAOYSA-N 379.416 3.797 30 40 GHEB CCNC(=S)N/N=C/c1ccc(OCc2ccccc2F)c(OCC)c1 6655078 KRVVWWUXMUBHBW-WSDLNYQXSA-N 375.469 3.621 30 40 GHEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C)cc1 10537080 XJYXLHMPBHIVAU-UHFFFAOYSA-N 383.473 3.730 30 40 GHEB CCOc1ccc(NC(=S)N/C=C(\C(C)=O)C(=O)Nc2ccccc2C)cc1 104301675 RLEONAKNSBXNGK-QGOAFFKASA-N 397.500 3.792 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 101231716 JRYOEXBZQLBSTI-GHNGSUTGSA-N 378.384 3.511 30 40 GHEB COc1cc(/C=N/N=C(/S)NCc2ccccc2)cc(Br)c1O 11903695 GMLMIEKKSZCQOS-VXLYETTFSA-N 394.294 3.573 30 40 GHEB N#Cc1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 6549964 RSGCCOHILNEEEZ-UHFFFAOYSA-N 375.457 3.747 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccs1 5799470 LCKBZKSAZZUESK-WOOAAIBNSA-N 398.528 3.820 30 40 GHEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C#N 5752856 QJZUAEKUUQYEPI-VIFPVBQESA-N 399.255 3.876 30 40 GHEB CCn1cc(/C=C2/Oc3c(ccc(OS(C)(=O)=O)c3C)C2=O)c2ccccc21 9422208 HVUZYZHFFIENFJ-YBFXNURJSA-N 397.452 3.924 30 40 GHEB Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)o1 7194320 DJAIOZCRKJDHRU-UHFFFAOYSA-N 386.458 3.791 30 40 GHEB CCN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(C)c(Br)s1 95995672 ZHCPXJCJYVBJAE-UHFFFAOYSA-N 385.308 3.906 30 40 GHEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(Br)cc1OC 409092971 YGXXIZDBXUBHHJ-GIJQJNRQSA-N 395.213 3.606 30 40 GHEB N#CCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408749377 GKWVWBOXADYAMZ-UHFFFAOYSA-N 396.409 3.621 30 40 GHEB C=CCc1cc(C(=O)N(CC)Cc2ccc3c(c2)OCCO3)cc(OC)c1OC 32841430 NYYIAQYUEQLMDU-UHFFFAOYSA-N 397.471 3.866 30 40 GHEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3nnn(C(C)(C)C)n3)c2C#N)C1 598801666 NFACPLYQOSMXCH-NSHDSACASA-N 386.525 3.765 30 40 GHEB CCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1 6078098 CTRWKXNCGOADFP-QGZVFWFLSA-N 383.473 3.723 30 40 GHEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)o2)cc1 12418568 NFCDDUNUBLXEOM-VAWYXSNFSA-N 398.466 3.988 30 40 GHEB C[C@@H](OC(=O)CSc1ccccc1Cl)C(=O)NC1(C#N)CCCCC1 21173275 BPBZWIYUKMJNPM-CYBMUJFWSA-N 380.897 3.706 30 40 GHEB COc1c2c(c(C(=O)/C=C/c3ccc(Cl)cc3)c3c1OCO3)CCN(C)C2 20112811 HOHUNSYPHCJPNP-VMPITWQZSA-N 385.847 3.961 30 40 GHEB biogenic COc1ccccc1N1CC(=O)C(c2nc(-c3ccc(C)cc3)cs2)=C1N 3391775 STSWNMCMPYEWIS-UHFFFAOYSA-N 377.469 3.844 30 40 GHEB Cc1sc2nc([C@@]3(C#N)Cc4ccccc4N4CCC[C@@H]43)[nH]c(=O)c2c1C 3426144 HJMLXKFSFDRMEZ-IIBYNOLFSA-N 376.485 3.588 30 40 GHEB Cc1cccc2cc(C#N)c(SCC(=O)NCc3ccc4c(c3)OCO4)nc12 4849035 ROJQABSOGHYTDI-UHFFFAOYSA-N 391.452 3.552 30 40 GHEB N#CCCN(C(=O)COC(=O)c1ccccc1Br)c1ccccc1 5059252 BRPSXWKRWHXGPP-UHFFFAOYSA-N 387.233 3.553 30 40 GHEB O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1cccc2ccccc12 6475143 YDZJQAMZKBPXST-IBGZPJMESA-N 389.480 3.956 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1Cl 6942514 BXAFXOKINHKADG-UHFFFAOYSA-N 381.819 3.807 30 40 GHEB COc1cc(C(=O)OCc2ccccc2C#N)cc(OC)c1Br 7269600 SJWDRIQIEBAEDA-UHFFFAOYSA-N 376.206 3.695 30 40 GHEB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(C#N)cc1 8429696 USWJSZAESBWGMF-IBGZPJMESA-N 377.469 3.831 30 40 GHEB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C/c1ccccc1C#N 12928667 GPXOYXNCJKUBNR-JXMROGBWSA-N 392.846 3.510 30 40 GHEB COc1cc(C#N)cc(Cl)c1OC(=O)CCCn1c(=O)oc2ccccc21 24042885 PHTZUXAARLHAAF-UHFFFAOYSA-N 386.791 3.514 30 40 GHEB N#Cc1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCCCC2 31625260 OGYYWLBDZGXQKD-UHFFFAOYSA-N 395.406 3.708 30 40 GHEB O=C1C=C/C(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C1Cl 101028219 HWGPQFXYUGIVOW-GACXGXOKSA-N 384.844 3.525 30 40 GHEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C(=O)N1C 408930488 XSCAHBJCHVYFMW-FYQLEFRXSA-N 397.500 3.721 30 40 GHEB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)c(C)c1 409179472 OVAAZLZVYYTMKE-VCHYOVAHSA-N 391.452 3.850 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC 1085024 YGWPCTDCTCSYJO-KRWDZBQOSA-N 385.460 3.576 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 3485342 OLCJTXUTNDTIPA-UHFFFAOYSA-N 395.444 3.770 30 40 GHEB C=C(C)CSc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 7230908 DUMPFWJQLUPQDB-UHFFFAOYSA-N 382.492 3.845 30 40 GHEB C[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(Cl)cc1)N(C)C 24834694 AHQVSZIZACDOOW-GFCCVEGCSA-N 384.896 3.961 30 40 GHEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccnc2)n2ncc(C#N)c2N1 101488066 LZJXLAZRAXRBFH-FQEVSTJZSA-N 384.443 3.694 30 40 GHEB O=C1N[C@@H](c2ccc(Cl)cc2)/C(=C(\O)c2ccc(Br)cc2)C1=O 102574200 HGQMQKBNSWUVPH-MRPLLJTBSA-N 392.636 3.812 30 40 GHEB C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1Cl 4943005 YRKPUSPKZWQMOG-UHFFFAOYSA-N 385.855 3.712 30 40 GHEB COc1cccc(N/C(=N/C(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c1 18180600 MNDUNLYSVNUPNW-UHFFFAOYSA-N 375.432 3.822 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 30969723 SPNKEDCIOWRWAX-SJLPKXTDSA-N 384.549 3.842 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224806721 MQIKVRTYZDKLNI-UHFFFAOYSA-N 397.880 3.747 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(F)cc1 224924017 NZGQRQGTEBAVTG-UHFFFAOYSA-N 377.437 3.692 30 40 GHEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 2658907 NNYHIBAPASBAAT-UDWIEESQSA-N 399.428 3.784 30 40 GHEB COc1ccc(C(=O)/C=C(\O)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 101355067 NTZMAKWLTQLYNR-UNOMPAQXSA-N 383.400 3.524 30 40 GHEB CS(=O)(=O)c1ccc(Cl)c(NC=C2C(=O)CC3(CCCCC3)CC2=O)c1 102632997 WXNOOGRXPQJFAL-UHFFFAOYSA-N 395.908 3.922 30 40 GHEB Cc1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1 2616145 UCMJNKLKSLLRHW-UHFFFAOYSA-N 391.402 3.900 30 40 GHEB N#Cc1c(CCCNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n[nH]c1N 7989550 VPDHWHZNPKIGBT-UHFFFAOYSA-N 385.880 3.608 30 40 GHEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)cc1 12418602 IMTRJBXJPAMKPA-CMDGGOBGSA-N 388.427 3.581 30 40 GHEB COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 21471687 PVSAKGCMWJVPDY-GCMSVZMUSA-N 390.439 3.854 30 40 GHEB CN(C/C(O)=N/c1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1N1CCCCC1 82111898 JITJAYNBFWPTFG-UHFFFAOYSA-N 393.491 3.567 30 40 GHEB CC1(C)[C@@H]2CC=C([C@H]3O[C@@]45CCCC[C@@H]4C(C#N)(C#N)[C@]3(C#N)C(=N)O5)[C@@H]1C2 102819376 QKOHRCZMOIYJBF-SPCDOQNLSA-N 376.460 3.815 30 40 GHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccco1 12409673 DSXBPNANSTXHNC-UHFFFAOYSA-N 384.457 3.969 30 40 GHEB COc1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C#N)cc2c1 1354519 ORKZDXFALGFNND-UHFFFAOYSA-N 375.453 3.796 30 40 GHEB CCCCCCCCSC[C@@H](O)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104583094 XVCNYYCPAKHFJJ-UFYCRDLUSA-N 392.609 3.722 30 40 GHEB CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100975460 GIDZVCKKOOPICU-UHHPSXQGSA-N 394.905 3.721 30 40 GHEB Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C#N)cc2)c(C)c1 48249696 KROOCHHQSSZVTN-BVSLBCMMSA-N 376.456 3.685 30 40 GHEB CC(=O)OCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926556 LPQPBYBYZDYUHI-ACXQXYJUSA-N 388.504 3.993 30 40 GHEB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 29899470 BWBJKQFTBHNFCP-XLTHYULKSA-N 380.444 3.643 30 40 GHEB Clc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4401967 BTUJABOIWMLVPP-PXLXIMEGSA-N 399.930 3.952 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccccn4)nc13)O2 5351411 OTJBEZQVTROIGD-SFHVURJKSA-N 395.422 3.718 30 40 GHEB Cc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)c1 408741024 JIEQZEXJDJKTOD-LKKXKRCMSA-N 385.876 3.723 30 40 GHEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(C(=O)O)cc1 4682391 WJHZQGZEWNBGJI-KERPIWHLSA-N 397.412 3.917 30 40 GHEB CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CCCC1=O)N2 4736973 NCFXTEDIBFWLLS-AWEZNQCLSA-N 391.840 3.584 30 40 GHEB N#Cc1c(COC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cn2ccccc12 14854298 RRSZLIABNKVPLK-UHFFFAOYSA-N 395.802 3.506 30 40 GHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 5825966 OQJFDONXNRFYNL-YVLHZVERSA-N 384.384 3.644 30 40 GHEB biogenic C[C@@H]1S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 18141300 FRTOGEQNVZUISY-QHKYSRAXSA-N 380.878 3.553 30 40 GHEB Cc1cc(/N=C\c2cc([N+](=O)[O-])ccc2O)ccc1I 409107622 SEAARORPYBIALP-PXNMLYILSA-N 382.157 3.964 30 40 GHEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(Cl)cc2Cl)C1=O 408530356 FDDYCSREWCJFDQ-GFCCVEGCSA-N 390.226 3.903 30 40 GHEB CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 80174743 UHEBHFQTEYMJQV-XDCJFQGASA-N 384.447 3.831 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccs1 20191186 NBTWJVFUDIEENG-IBGZPJMESA-N 398.528 3.977 30 40 GHEB CCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102695473 HGQXUCPQZRRDPD-GHNGSUTGSA-N 394.383 3.601 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc4ccccn34)c2C#N)C1 710250 NJPMXJOVPCOQJK-LLVKDONJSA-N 383.502 3.518 30 40 GHEB CC(C)c1ccc(Nc2nnc(SCC(=O)N(C)CCC#N)s2)cc1 6650364 OOARKTNPURWWSW-UHFFFAOYSA-N 375.523 3.869 30 40 GHEB C=CCn1c(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)n[nH]c1=S 12825671 MFZWXTNCMCHXOD-UHFFFAOYSA-N 393.444 3.704 30 40 GHEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(OCC)c2)cc1 5024843 QMJCJHRRVFAHMD-UDWIEESQSA-N 384.461 3.993 30 40 GHEB CN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)N(C)C1=S 4457232 OOJVIQUINDJQBR-JAIQZWGSSA-N 386.480 3.591 30 40 GHEB C[C@@H](Nc1ccc(I)cc1)C(=O)Nc1ccccc1C#N 7225015 YSFCWOXSKCQRAJ-LLVKDONJSA-N 391.212 3.602 30 40 GHEB C=CCn1c(SCCN2C(=O)[C@@H](C)Oc3ccccc32)nnc1-c1ccco1 95444454 FVUGQKNFZHAIOM-CQSZACIVSA-N 396.472 3.630 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408854457 GDYOLWSBAYRKCL-CAOOACKPSA-N 377.813 3.833 30 40 GHEB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3cccc(C#N)c3)c2c1C 30522982 ASWLJNRIVOLLLV-UHFFFAOYSA-N 380.473 3.993 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc(OC)c3OC)C2=O)s1 137919116 AKVYOUWUIJKLCF-LELCBPDQSA-N 375.475 3.536 30 40 GHEB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(CC#N)cc3)n2)cc1 225831431 MKVTVKDPCQHLKR-UHFFFAOYSA-N 393.472 3.688 30 40 GHEB N#Cc1cccc(C(=O)N2CC[C@]3(CCCN(CCOc4ccccc4)C3)C2)c1 96216369 QJAPXDHKMZZIHC-DEOSSOPVSA-N 389.499 3.565 30 40 GHEB N#Cc1cccc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 5305343 VSHKNSRFRCSOJD-UHFFFAOYSA-N 390.420 3.975 30 40 GHEB O=C1/C(=N/Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 100512641 UXZRKDTZBCSXLI-BSYVCWPDSA-N 385.383 3.814 30 40 GHEB N#Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)nc1 90607611 KTBVAGXOKFISCW-UHFFFAOYSA-N 390.468 3.760 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 100342976 PQZBWMJOIRQIJZ-NHFXJNLRSA-N 386.407 3.717 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 103087442 VOEZPYJAKKEGGZ-SELCWUDQSA-N 398.390 3.956 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC)cc3)ccc21 8958705 BYQQQNJOHILCDK-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB N#Cc1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 96005694 GRFBQLPINXEZRK-UHFFFAOYSA-N 392.362 3.564 30 40 GHEB CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 17967237 ZUNOVQFYHOWXKI-MGPUTAFESA-N 379.456 3.517 30 40 GHEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c1OC 18196793 MRMYWRUQQGWUQW-FQEVSTJZSA-N 379.412 3.997 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 30969719 SPNKEDCIOWRWAX-AEFFLSMTSA-N 384.549 3.842 30 40 GHEB CC(=O)Oc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409403784 MXOXVUDNTVDZMI-UHFFFAOYSA-N 383.407 3.871 30 40 GHEB C=CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)s1 224076520 HZFLPQCENWQYLH-AWEZNQCLSA-N 392.525 3.806 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223347428 QMUTXVSDVGTZRU-MRXNPFEDSA-N 378.472 3.887 30 40 GHEB Cc1ccc(CN2CCC[C@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)nc1 585294018 MUTJWZIKSPYJCF-SFHVURJKSA-N 376.489 3.616 30 40 GHEB CN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1ccc(C(=O)O)cc1 100310460 NDVZEFBVDZWCTC-LBVWADOBSA-N 388.832 3.978 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 101231744 MEPJWVQSIOHYKN-HVESIFNPSA-N 398.802 3.856 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)o1 102712808 LAOAMPLKOCMOGY-IBOXJLQUSA-N 395.802 3.658 30 40 GHEB N#Cc1ccccc1-c1ccc(CSc2nnnn2C[C@@H]2CCCO2)cc1 23053513 OIFQQCVVVMZPMX-SFHVURJKSA-N 377.473 3.683 30 40 GHEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3nnc(CC)s3)nc2c1 4160558 AZVMVUKYTSYDCN-UHFFFAOYSA-N 399.501 3.650 30 40 GHEB N#Cc1cccc(COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12783518 DXKRCJLFUFNHSC-PQCJFMQRSA-N 392.499 3.809 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC 409297593 UDQXQIUMVZUHPO-UHFFFAOYSA-N 386.249 3.612 30 40 GHEB N=C(N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 72370084 VDECSRBUSSVHBG-BKHCZYBLSA-N 397.438 3.886 30 40 GHEB N#Cc1nc(-c2ccccc2F)oc1NC[C@H](c1ccccc1)N1CCOCC1 27750385 UXGVOQLDBKUWBC-HXUWFJFHSA-N 392.434 3.838 30 40 GHEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc([N+](=O)[O-])c1O 408910111 WHJYGQHXVOUQSS-IXMFVRRYSA-N 399.428 3.851 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 409401547 BESUZSOBNMNFIW-UHFFFAOYSA-N 386.367 3.560 30 40 GHEB COc1ccccc1OCC#CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 90610372 GATXZIGGNSJCAK-UHFFFAOYSA-N 387.863 3.705 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 5007495 CJPBLKZSGVGYFQ-RVDMUPIBSA-N 375.446 3.629 30 40 GHEB O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Br)ccc2O)cc1 5616416 BVXAJDXXHFUTEN-WOJGMQOQSA-N 378.226 3.984 30 40 GHEB C/N=C1\S/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1C 4514380 ZVRCSGNSOZTUHZ-MNTGGVIJSA-N 376.279 3.772 30 40 GHEB CCCCN1CC(=O)C(c2nc(-c3ccc(Br)cc3)cs2)=C1N 3171588 MSBNEPKJQXQQJQ-UHFFFAOYSA-N 392.322 3.885 30 40 GHEB Cc1ccccc1Nc1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s1 3465397 SRBOUXABERTXHH-QGZVFWFLSA-N 375.523 3.737 30 40 GHEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 4899083 SBXPPTLIBVNPQD-JIIKEMMSSA-N 397.500 3.948 30 40 GHEB C=CCSc1nnc(NC(=O)COc2ccc(Br)cc2)s1 7594565 AOSMOTCAECUZET-UHFFFAOYSA-N 386.296 3.596 30 40 GHEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2 17016576 CBLSHPXGEFVYRK-XCLFUZPHSA-N 376.391 3.539 30 40 GHEB O=c1oc2ccccc2cc1-c1cs/c(=N\N=C/c2cccc([N+](=O)[O-])c2)[nH]1 17138037 QTDIHIWIWBLSDI-JMIUGGIZSA-N 392.396 3.693 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19498910 NQPLBIDBKWQHST-HXUWFJFHSA-N 394.490 3.918 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)nn3)c2C#N)C1 31795889 QAGOPLXRPKZUJH-VIFPVBQESA-N 378.910 3.919 30 40 GHEB CSc1[nH]c(=O)c(C(=O)N(C)C2CCC(c3ccccc3)CC2)cc1C#N 65105011 SVLNMLNRTIJONJ-UHFFFAOYSA-N 381.501 3.767 30 40 GHEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)Nc1ccc(F)cc1 225860422 MTGBRQOIHPBSPD-UHFFFAOYSA-N 382.826 3.964 30 40 GHEB COc1ccc(CC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cc1Br 26251583 BEXUOZRZCRFQQP-UHFFFAOYSA-N 393.163 3.815 30 40 GHEB O=C(Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1/C2=N\O)C(F)(F)F 100608724 AMEQBBSTQFLCDZ-FYJGNVAPSA-N 385.685 3.956 30 40 GHEB CCCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6937334 PENHJNMIMXLVNU-LLVKDONJSA-N 389.550 3.785 30 40 GHEB N#Cc1c(F)cccc1S[C@H](C(N)=O)c1ccc(Br)cc1F 582339015 GWBJUPDUVZZENB-AWEZNQCLSA-N 383.217 3.918 30 40 GHEB COc1ccc(/C=N\OCC(=O)NCc2ccco2)cc1OCc1ccccc1 97664730 HJOJOQKGRHYMJV-CFRMEGHHSA-N 394.427 3.534 30 40 GHEB CC(=O)Nc1ccc(N=Cc2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)cc1 245228383 UFKRHBHQGRSRFJ-UHFFFAOYSA-N 384.413 3.902 30 40 GHEB CC(=O)Nc1ccc(/C(C)=N/O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 14397844 WXPUBNKMDBNRLU-ZFILKEQLSA-N 375.375 3.691 30 40 GHEB CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(OCC)cc3)c2c1N 20102699 DEHLZIXUGKSMAH-UHFFFAOYSA-N 382.445 3.575 30 40 GHEB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1cccc(C#N)c1 21188750 FTURPIUSBSBBGE-UHFFFAOYSA-N 385.308 3.593 30 40 GHEB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)c(C)c(C)c2C#N)c1C 5172539 SBBXPSBSBNCMPE-AWEZNQCLSA-N 385.489 3.974 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 6637099 PBPSRFVZTRPDRQ-UHFFFAOYSA-N 391.452 3.636 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nnc(N)s2)n(C2CCCCC2)c1C 8539947 XRLATQVEXXRJOL-UHFFFAOYSA-N 390.538 3.646 30 40 GHEB COC(=O)c1ccccc1N/C=C(/C(=O)c1cccs1)C(=O)C(F)(F)F 100560908 BGMRAPYLDWJQLQ-LUAWRHEFSA-N 383.347 3.845 30 40 GHEB COc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)c(OC)c1 408800833 RIMADQOQFFYKIA-QRVIBDJDSA-N 394.427 3.743 30 40 GHEB C=CCOc1cc(Br)c(/C=C2\SC(=O)N(C)C2=O)cc1OC 408821431 HHFXQHJEIZLRDX-QPEQYQDCSA-N 384.251 3.689 30 40 GHEB CC(=O)Oc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 4893677 PETNFBGKQHMUCD-SSDVNMTOSA-N 393.403 3.769 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 8554495 DMJZUEJLSGRWRX-UHFFFAOYSA-N 379.243 3.927 30 40 GHEB COc1ccc(C[C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 58014231 KVXXZEPULACQSH-LJQANCHMSA-N 395.478 3.788 30 40 GHEB C[C@@H]1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O 2637930 YUCCAHCKZCZPQY-HXPJWWMGSA-N 392.955 3.743 30 40 GHEB N#Cc1ccc(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 9136111 JAGJSBKMUKQRBR-UHFFFAOYSA-N 395.418 3.673 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 4427148 JRDUEUYEDZIWHG-QAPCUYQASA-N 399.468 3.514 30 40 GHEB CCC/C(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2C)S1 4577132 WRRLNSVRUNOECN-VPNURPJOSA-N 380.901 3.741 30 40 GHEB Cc1cc2nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2c2ccccc12 5885903 SSEOWKCRWOXCDF-VLIAUNLRSA-N 381.505 3.726 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cccs2)C1=O 409050976 FRFMHRXBFQAXPS-PTNGSMBKSA-N 399.493 3.918 30 40 GHEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccccc2I)C1=O 408553428 YYPCWIMVMUDXIU-ZPBHHCQCSA-N 385.226 3.902 30 40 GHEB C=CCN(c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1)S(=O)(=O)c1ccccc1 224376310 VTNZICDPZWJVGK-GOSISDBHSA-N 398.528 3.940 30 40 GHEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl 20628554 KMMKCYWIPPYTCG-UHFFFAOYSA-N 391.301 3.772 30 40 GHEB C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1 599790121 HHNBYFWKOVAJCL-NIKGAXFTSA-N 397.500 3.686 30 40 GHEB C=CCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nc2ccccc21 12116474 IIUSEORIEMHUET-UHFFFAOYSA-N 392.478 3.894 30 40 GHEB C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN1CCOCC1 20149680 WLMNDDDHULTHMU-UHFFFAOYSA-N 389.503 3.530 30 40 GHEB C=CCn1c(S[C@H](CC)C(N)=O)nc2scc(-c3ccc(C)cc3)c2c1=O 60371620 QLYHPVFJIKITQI-OAHLLOKOSA-N 399.541 3.975 30 40 GHEB CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)s1 9088626 HMJBQBWHYQDVFW-ZDUSSCGKSA-N 399.453 3.636 30 40 GHEB COc1cc(/C=C2\Oc3cc(OCC#N)cc(C)c3C2=O)cc(OC)c1OC 6662915 KRLWTIPEVSLYQH-PXNMLYILSA-N 381.384 3.539 30 40 GHEB biogenic COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 9421883 CBIZPZSLLHMFCR-CFFVULROSA-N 377.396 3.735 30 40 GHEB CCc1ccccc1/N=C(\O)CN(C)C(=O)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1 82071310 AVYMPTCQCIXQNK-ZBFHGGJFSA-N 399.457 3.958 30 40 GHEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)ccc1Cl 84001566 YAGSEQMUFAIDOR-PWSUYJOCSA-N 396.292 3.613 30 40 GHEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)OC(=O)C[C@H]32)C1 5217698 RZDJJWQUCPCDTP-DSVGPICFSA-N 388.504 3.992 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19498934 JSBSJXGIICEVBG-OAQYLSRUSA-N 376.500 3.779 30 40 GHEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1 6238376 HAUWMLGJNQAHSU-GIJQJNRQSA-N 392.278 3.738 30 40 GHEB C/C(CC(=O)c1ccccc1)=N/CC(O)C/N=C(/C)CC(=O)c1ccccc1 5502765 KAMQOUPMANBAAZ-FXKBRRNPSA-N 378.472 3.815 30 40 GHEB O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(/C=N\n2cnnc2)c1 705066 MPEMSFXQNZVYKV-YXSASFKJSA-N 392.202 3.954 30 40 GHEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C[C@@]12C#N 4199100 XJNIDPXCCOSCQA-NZSAHSFTSA-N 397.573 3.785 30 40 GHEB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 100129370 KEUXLWIQTBTHBJ-YOEHRIQHSA-N 394.858 3.815 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 20189099 ZWVZJWGLJLWMBH-FQEVSTJZSA-N 396.487 3.898 30 40 GHEB CC(C)c1cccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2=O)c1 31432988 OCMHMQQOXNNAKB-OXQOHEQNSA-N 375.472 3.912 30 40 GHEB O=S1(=O)CC[C@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 2677928 STVGUHIUFXFTNG-YPKZHZFPSA-N 399.903 3.799 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2OC(C)C)cc1 3137187 UTGYTMDHGZMWMO-GOSISDBHSA-N 381.457 3.764 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)c(C)s1 4814710 QNRAGBLCNNQDID-UHFFFAOYSA-N 399.545 3.859 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2cc(C)ccc2C)c1C 6098676 UMKNQRXJARMTNZ-UHFFFAOYSA-N 381.505 3.858 30 40 GHEB CCN(CC)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2F)n1 6995487 AWJKCUXXGATOPP-BUVRLJJBSA-N 393.470 3.915 30 40 GHEB C#CCOc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1 13994535 MXJJYPQIELANDL-NRFANRHFSA-N 379.456 3.609 30 40 GHEB COc1cc(SC)ccc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 14141299 GVXLQAVJESYHDH-LJQANCHMSA-N 399.491 3.579 30 40 GHEB N#Cc1cccc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 25220312 SAVNSYOPGBFFEE-UHFFFAOYSA-N 380.801 3.948 30 40 GHEB Cc1cc(C)c(C#N)c(SCCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 32869426 ANJJEHKKZWAXTO-UHFFFAOYSA-N 396.516 3.528 30 40 GHEB COc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1 100814148 GAHIGUAKGRTCFN-UHFFFAOYSA-N 396.406 3.800 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)no1 102801138 UNDACALHLPDPFD-GHNGSUTGSA-N 378.359 3.748 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1ccc(-c2cccc(Cl)c2)o1 408881312 IUVVCKYNMGDRRT-FKAIMOKRSA-N 392.842 3.987 30 40 GHEB COc1ccc(/C=N/OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(OC)c1 2654313 XCVCHFHTHJHNQQ-OEAKJJBVSA-N 384.476 3.882 30 40 GHEB O=C1CSC(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)=N1 4670370 LCBODEHHZKQUMC-WSDLNYQXSA-N 375.453 3.972 30 40 GHEB Cc1cc2occ(CC(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)c2cc1C 5628157 CYWCKAGYARPVIT-INIZCTEOSA-N 382.460 3.867 30 40 GHEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 7601886 FQJWROJEKDNZOP-UHFFFAOYSA-N 385.855 3.712 30 40 GHEB COCCC/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 18088157 JAZVHQYUWBLVRM-HYARGMPZSA-N 392.484 3.898 30 40 GHEB CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C(C)C 30882037 FACCPGFUPYMWIG-FKBYEOEOSA-N 381.520 3.555 30 40 GHEB biogenic,in-vitro Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccccc3)c1CCS2(=O)=O 31895429 UTZXAYUGRFUTPT-UHFFFAOYSA-N 375.453 3.508 30 40 GHEB CCOc1cc(/C=N\Nc2cccc(Br)c2)cc([N+](=O)[O-])c1O 36624120 PENNKUZKISKXEH-MFOYZWKCSA-N 380.198 3.908 30 40 GHEB COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 45099571 JCPHOJKCVNNDGV-VMPITWQZSA-N 396.808 3.615 30 40 GHEB Cn1ncc(/N=C/c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccco1 101603413 GDVBGLNJXGNFQS-LSFURLLWSA-N 376.338 3.713 30 40 GHEB COc1cccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)c1 102803771 UCEAJSSFRGNJCV-GHNGSUTGSA-N 394.383 3.519 30 40 GHEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)=O)c(C#N)c3)CCCC2)cc1 225754846 DMXMXZWUGMEJJZ-UHFFFAOYSA-N 378.428 3.943 30 40 GHEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 4943001 QPCLWXVZNQCPKB-UHFFFAOYSA-N 385.855 3.712 30 40 GHEB COc1cc(/C=N/N=C(\S)Nc2ccccc2)cc(Br)c1O 5329669 ZGSCMWJWYZRLKW-RQZCQDPDSA-N 380.267 3.895 30 40 GHEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)s1 6295168 PJBNHBGFTATDNH-INIZCTEOSA-N 395.440 3.526 30 40 GHEB C=CCn1c(SCC(=O)N(C)C)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 9944461 LELNNDIVBOINSU-CYBMUJFWSA-N 390.578 3.888 30 40 GHEB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc(C#N)n2)cc1 14144435 STVHRVGQLHNOPW-UHFFFAOYSA-N 397.822 3.633 30 40 GHEB Cc1ccc(/N=C2\SCCCN2C(=O)Cn2c(C)csc2=O)cc1Cl 17343228 XZOPRRFOEPCJFL-MNDPQUGUSA-N 395.937 3.833 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1O 19314505 BLTKZLWJKPJXDC-GOSISDBHSA-N 385.460 3.568 30 40 GHEB N#CCN1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)CC1 20533564 VGPVRKIXMRIGBM-UHFFFAOYSA-N 394.482 3.709 30 40 GHEB COc1ccccc1N(C(C)=O)c1nc(COC(=O)C2(C#N)CCCC2)cs1 24829988 BDRCDAPEYAIYEG-UHFFFAOYSA-N 399.472 3.963 30 40 GHEB N#Cc1c(COC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cn2ccccc12 32899110 UMJCREDFYKFKRZ-UHFFFAOYSA-N 382.803 3.521 30 40 GHEB N#Cc1cccc(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)c1 96102969 VQGDTEUAKMJZTK-UHFFFAOYSA-N 381.395 3.846 30 40 GHEB COc1cc(/C=N\O)cc(I)c1OCc1ccc(C)cc1 100250257 KCEAWVRPUOMIMZ-NVMNQCDNSA-N 397.212 3.995 30 40 GHEB Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1ccc(S(N)(=O)=O)cc1 104283868 FTAOJLOEGLMPDI-VHXPQNKSSA-N 396.476 3.692 30 40 GHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 118913982 WFZVFCIUAYURKP-NBXBSOGZSA-N 388.504 3.962 30 40 GHEB biogenic,in-vitro C#CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226340663 NQXGOQQOFDRXDN-UHFFFAOYSA-N 380.625 3.867 30 40 GHEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cc(Cl)cc(Cl)c3)C2=O)c1 408531011 GHFQNEQKVSOMGA-OAHLLOKOSA-N 390.226 3.903 30 40 GHEB CN(C)C(=O)Oc1cccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)c1 1004243 VQJVMNODPMMHGH-UHFFFAOYSA-N 396.410 3.540 30 40 GHEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 4537466 RSDGPMFRGUVSHS-QFPXGYFVSA-N 394.905 3.943 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6549860 JNAFNOOSUXCVAR-UHFFFAOYSA-N 375.457 3.747 30 40 GHEB COc1cccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)c(C#N)c(N)n2)c1 20330808 FXEAZNXFUSTWFZ-UHFFFAOYSA-N 391.427 3.904 30 40 GHEB C/C(NCCCCN/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100751084 RKTXBPXWEJDIDX-LRJKJTCDSA-N 384.564 3.984 30 40 GHEB biogenic C#CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC 107680623 MHRSPSAKVKFBJU-UUYOSTAYSA-N 386.835 3.658 30 40 GHEB C=CCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 409064020 BFSQUCKOOYRWCE-WQLSENKSSA-N 384.251 3.689 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nc2cc1OC 4857878 HLKMFXHISAPSDL-CZUORRHYSA-N 399.516 3.911 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 4980598 SHLQQCCNHOCUFY-GOSISDBHSA-N 385.847 3.955 30 40 GHEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc3cc(OC)ccc3c2)cc1 6929191 OXPGXAWLIYUGKG-PXLXIMEGSA-N 398.484 3.950 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc(F)cc1 8378481 VBBWUPZYJNTTKO-LNYGYFNRSA-N 395.430 3.840 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 20171863 ZACGFWKHPGVFLQ-SFHVURJKSA-N 384.501 3.668 30 40 GHEB Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 20591567 VDDHEKOWVUBUIU-WQRHYEAKSA-N 385.847 3.802 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 23437440 UYNVDSGYKZIYGN-UHFFFAOYSA-N 386.499 3.707 30 40 GHEB C=CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc2c(s1)CCCC2 23995964 DWUYYKNRBNMDIQ-UHFFFAOYSA-N 395.484 3.508 30 40 GHEB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC#Cc1ccccc1 32899035 UVZIRMIZYYTREX-UHFFFAOYSA-N 391.349 3.584 30 40 GHEB CC(=O)c1cccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)c1 63435678 XIXQIUYQUFHTRN-SNVBAGLBSA-N 387.866 3.717 30 40 GHEB COc1cc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1OC(F)F 89620995 ZLEAILQFFQMWAO-UHFFFAOYSA-N 390.386 3.642 30 40 GHEB O=C1/C(=N\c2ccc(Cl)c(Cl)c2)c2ccccc2N1CN1CCOCC1 101329140 KSFZLICWVRMMCH-PYCFMQQDSA-N 390.270 3.751 30 40 GHEB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)n2)C1 103940146 QLPZKRPBOHXFKB-XHSDSOJGSA-N 398.532 3.899 30 40 GHEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccccc1O 408753373 OQRQWVRPNRWABL-VGOFMYFVSA-N 375.793 3.845 30 40 GHEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C)c2ccccc12 409289750 HYOKZWQQACOFJR-UHFFFAOYSA-N 395.260 3.841 30 40 GHEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccco2)sc1C 102861693 RORWUNNAQKBHSI-UYTDBDHRSA-N 380.425 3.979 30 40 GHEB C[C@H](NC(=O)c1ccccc1NC(=O)CO/N=C/c1ccco1)c1ccccc1 3337343 JGSAXIRJVGIOSV-YQCVNYCESA-N 391.427 3.760 30 40 GHEB C[C@H](CCc1ccco1)NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 12866424 SSCYZNWHTIRQSX-DGBUMKMOSA-N 387.520 3.717 30 40 GHEB biogenic COC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)c(C#N)c1C 4454693 UXMFKXVLPXQVQU-UHFFFAOYSA-N 378.837 3.694 30 40 GHEB Cc1nn(-c2ccccc2)c(C)c1/C=N/n1cnc2sc(C)c(C)c2c1=O 7737744 UBCPDWIINFIIFF-LSHDLFTRSA-N 377.473 3.760 30 40 GHEB Cc1ccc(S(=O)(=O)O[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1 79436662 XQHWUSIZDJTLCC-GOSISDBHSA-N 389.473 3.502 30 40 GHEB C=CCc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1O 1105170 HGAHAZCAPCYFSE-FOKLQQMPSA-N 395.484 3.662 30 40 GHEB COC(=O)[C@H](c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(C#N)c1 169800435 IVGROHGAUDXBJJ-OAHLLOKOSA-N 375.178 3.534 30 40 GHEB N#Cc1c(N)nc(SCC(=O)Nc2ccccc2)c(C#N)c1-c1ccccc1 20530158 YBJQSXTUSOKFTH-UHFFFAOYSA-N 385.452 3.805 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 6412938 UOIGFWJJOWWEIF-IBGZPJMESA-N 390.395 3.775 30 40 GHEB CN1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 20115262 KFJPMPQKBODYEB-OZNQKUEASA-N 375.516 3.800 30 40 GHEB CCOCCCn1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O 3556118 WHHRTUMHTRKGAA-UHFFFAOYSA-N 379.485 3.987 30 40 GHEB CCCCCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 4056579 ALRLHKLDTIPBPW-HXUWFJFHSA-N 382.464 3.878 30 40 GHEB C/N=C1\S/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)N1C 4106934 ZVRCSGNSOZTUHZ-FEGCFHEDSA-N 376.279 3.772 30 40 GHEB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)cc1 5089134 XZTPWOMYHYEUAC-CQSZACIVSA-N 382.489 3.956 30 40 GHEB O=C(O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5246384 BKKFZDBDILIEGM-CHHVJCJISA-N 375.174 3.529 30 40 GHEB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1cccc(C#N)c1 5626642 RMMBZBAATDBJCB-SECBINFHSA-N 378.215 3.631 30 40 GHEB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 5883973 VSDFCRCDNPMYNC-MRXNPFEDSA-N 392.484 3.708 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(-c3ccccc3F)o2)n1 6648693 HHZFHSDZHUGOGL-CYBMUJFWSA-N 384.388 3.884 30 40 GHEB Oc1ccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc1O 7982999 FJLADIWBENDWTD-CIAFOILYSA-N 376.441 3.604 30 40 GHEB O=C1/C(=C/c2ccccc2)N(Cc2cccnc2)S(=O)(=O)c2ccccc21 9423719 WAZXALWZOJDAQC-UYRXBGFRSA-N 376.437 3.510 30 40 GHEB N#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12854797 AXSGUABNQUUERT-JNCPLXCYSA-N 377.488 3.704 30 40 GHEB COc1ccc(/C=N/N2C(=O)CSC2=S)cc1COc1ccccc1C 36611945 VKKFBMORHKVEHN-KEBDBYFISA-N 386.498 3.777 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1nccs1 85409831 AMSROZUETDWOPI-HNNXBMFYSA-N 398.465 3.996 30 40 GHEB N#CCc1cccc(C(=O)Nc2cnn(-c3ccccc3Br)c2)c1 95440439 VIQGKVGHUFAOPB-UHFFFAOYSA-N 381.233 3.953 30 40 GHEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C=O)[C@@H]2c2ccc(Br)cc2)cc1 218234679 LXHDBWNEWCSUIY-IKGGRYGDSA-N 379.275 3.512 30 40 GHEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C 409314850 STYICFWLXXHLHE-GFCCVEGCSA-N 387.281 3.893 30 40 GHEB COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc2c1OCO2 409404380 KSINRHTZNICOHU-UHFFFAOYSA-N 399.406 3.683 30 40 GHEB COc1cc(NC(=O)[C@@H](C#N)Cc2cccc3[nH]ccc23)cc(OC)c1OC 61719032 AODSZABYPBBOAT-CQSZACIVSA-N 379.416 3.515 30 40 GHEB C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c2ccccc21 1163421 HCKAIRNRCQDQQH-XSFVSMFZSA-N 397.434 3.503 30 40 GHEB COC1=C[C@]23C[C@@H](C[C@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]2C)OC3=CC1=O 104247474 JXWKCIXVIBYKKR-MACDAGOESA-N 386.444 3.608 30 40 GHEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 59516277 UDWLDAFDKGYPLU-LDADJPATSA-N 378.384 3.780 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(OCC)c(OCC)c1 20460259 ZXYCDBMNOJZKAK-UHFFFAOYSA-N 396.487 3.971 30 40 GHEB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/S/C(=N/C)N(C)C3=O)c2C)c1 408930429 WYWHLCHTXPNUNP-QLHXNQQISA-N 397.500 3.803 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1C[C@@H]31 408881306 IUVVCKYNMGDRRT-BUJXUYPKSA-N 392.842 3.987 30 40 GHEB COc1ccc(-c2nc(NCc3ccccc3OC(F)F)nc(O)c2C#N)cc1 40130040 ISOKEOOZUKKUNL-UHFFFAOYSA-N 398.369 3.943 30 40 GHEB C=CCN1C(=O)/C(=C/c2cnc3ccccc3n2)S/C1=N/c1nccs1 97514740 VJUOLIQLZIZPKT-AAFZZKJISA-N 379.470 3.876 30 40 GHEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CCC 12408954 ZOFUHDQKXCKHOA-UHFFFAOYSA-N 390.505 3.871 30 40 GHEB COc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 102716364 YKVXVLOGAGTHOD-HVESIFNPSA-N 396.424 3.679 30 40 GHEB CCC[C@@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 2218679 LUCTZCRGRROOSO-CYBMUJFWSA-N 385.514 3.988 30 40 GHEB aggregator C=CCn1c(C)cc(-c2csc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)n2)c1C 12947390 SMWDUWHFADWONI-ZDUSSCGKSA-N 388.537 3.904 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)c2C#N)C1 5485565 FVESJTYAYKLAIJ-ZDUSSCGKSA-N 392.484 3.866 30 40 GHEB O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cccc(C(F)(F)F)c1 18209004 CHBOKXXLHVQAKQ-URMYYVDKSA-N 377.391 3.870 30 40 GHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(N(C)C)cc1 22608150 PDHJRPQHFBAXFM-MGPLVRAMSA-N 391.397 3.631 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O 408536087 YAQQUNGAQALIIU-RERGGYADSA-N 375.446 3.629 30 40 GHEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)S2)c1 409015183 YWDZOMZXCQTXOY-ATVHPVEESA-N 383.473 3.625 30 40 GHEB C=CCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1nc(-c2cccnc2)n[nH]1 12191810 CTDSHZBVHPAJDN-LBPRGKRZSA-N 383.839 3.576 30 40 GHEB COC(=O)CCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 5340165 FDXIRTJHZNRIMP-XDJHFCHBSA-N 386.364 3.663 30 40 GHEB COc1ccc(O/C(C(=O)O)=C(Cl)/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 36056772 BHEUNGJPQWQRJZ-BAHCEBFJSA-N 391.767 3.615 30 40 GHEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(Cl)cc2)c1=O 5863459 KVPUMTDDPYKISV-UHFFFAOYSA-N 385.206 3.953 30 40 GHEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2 17016573 CBLSHPXGEFVYRK-ZUOKHONESA-N 376.391 3.539 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 102930939 NVTYOTBDOFFERV-SELCWUDQSA-N 385.847 3.717 30 40 GHEB CCCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1 2288289 RKWQBNIOSHLFPE-UHFFFAOYSA-N 381.501 3.906 30 40 GHEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 5906172 AUYSDMMDAHEABY-LJQANCHMSA-N 393.395 3.968 30 40 GHEB C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 6855962 HKRDUCFVLHZXNJ-UHFFFAOYSA-N 385.272 3.710 30 40 GHEB C=CCn1c(S[C@H]2CCOC2=O)nc2cc(-c3ccccc3)sc2c1=O 12856971 MUHLPVRCFCNXNV-AWEZNQCLSA-N 384.482 3.719 30 40 GHEB C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC 13865561 WZPLTXUUYBEMBD-HXUWFJFHSA-N 394.496 3.936 30 40 GHEB aggregator CCc1nn2c(nnc3c(=O)n(-c4ccccc4C#N)ccc32)c1-c1ccccc1 19821506 NKEYNBFUAFLOLX-UHFFFAOYSA-N 392.422 3.529 30 40 GHEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nccs1 44085697 BHTROUQYEPCDQN-UHFFFAOYSA-N 386.502 3.932 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3cccc4ccccc34)C(=O)NC2=S)cc1 100200327 VSNJYYYCZCJXAQ-XNQWGTPPSA-N 387.464 3.915 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 102930115 OQJYIELGEIWNHX-YDJIHCHBSA-N 389.407 3.916 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408782027 FJPHTPWRZMKLJG-SFQUDFHCSA-N 382.803 3.571 30 40 GHEB CN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N/c1ccc(C(=O)O)cc1 408794771 JXHWIMSWYWBQPD-RORPNGENSA-N 393.424 3.521 30 40 GHEB COc1ccc(C(=O)/C=C/c2cn(CCC(=O)O)nc2-c2ccccc2)cc1 5603904 VVURDQUJVPIEQV-FMIVXFBMSA-N 376.412 3.930 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccnc1 6240840 KKUJOGAINKYCFV-GOSISDBHSA-N 386.455 3.761 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccccc1 6813734 RDFLPQQMDAZUEI-IBGZPJMESA-N 375.380 3.764 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 10903231 YXHFCPVUVNYMRB-UHFFFAOYSA-N 388.427 3.529 30 40 GHEB Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(O)c1 12467918 CDGPPGCEYYZDBQ-PCLIKHOPSA-N 385.467 3.819 30 40 GHEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 32788714 RGFFHCJBGPFEEG-OAQYLSRUSA-N 389.430 3.707 30 40 GHEB Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N\O)CC(C)(C)C2 100931425 WZAWSYIYONNBEY-UCQKPKSFSA-N 375.513 3.778 30 40 GHEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 218390212 HPMXGTLDTOSKPY-GBESFXJTSA-N 375.877 3.745 30 40 GHEB N#C[C@@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218591153 BPGVBKPHFQTEDA-IXDOHACOSA-N 380.252 3.642 30 40 GHEB C=CCN(Cc1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 224467617 JLAKBZIMELEPGZ-UHFFFAOYSA-N 386.517 3.592 30 40 GHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1 409293962 KIQQCEWQWSWKIN-UHFFFAOYSA-N 385.265 3.734 30 40 GHEB CC1(C)CN(C(=O)c2cc(C#N)ccn2)[C@@H]1C1CCN(Cc2ccccc2)CC1 576467380 FQWIJMXWOYPCRZ-JOCHJYFZSA-N 388.515 3.716 30 40 GHEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O 2306799 XOUWMMDJOYRBEO-LBPRGKRZSA-N 393.468 3.512 30 40 GHEB aggregator COc1ccc(/C=N/Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 7763191 NXOUPACBVHZOCM-AWQFTUOYSA-N 380.429 3.596 30 40 GHEB C=C(C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9367510 CMZZGPRHMZXOEA-UHFFFAOYSA-N 376.453 3.665 30 40 GHEB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 12901966 HWPAKSOCJXPQPW-GOSISDBHSA-N 388.471 3.787 30 40 GHEB CC(=O)c1ccc(OCCCC(=O)NCCSCc2ccccc2C#N)cc1 14196926 VNDXYEOELJYQAX-UHFFFAOYSA-N 396.512 3.969 30 40 GHEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1ccccc1O 15012191 FALIMDIJKGWYKO-CVKSISIWSA-N 389.463 3.757 30 40 GHEB C[C@H](NC(=O)CSc1nc(N)c(C#N)cc1C#N)c1cccc2ccccc12 19182190 ZBNIJIRRJHJOCN-ZDUSSCGKSA-N 387.468 3.530 30 40 GHEB COc1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 35672625 UTHPZJYMZOTGOP-HXUWFJFHSA-N 389.459 3.866 30 40 GHEB O/C(Cc1ccc(F)c(Br)c1)=N\c1nc(-c2ccccn2)n[nH]1 56810073 KQJNSSMHLGRWJQ-UHFFFAOYSA-N 376.189 3.599 30 40 GHEB COc1ccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 95117244 YTJBSODIAXQBOO-INIZCTEOSA-N 375.424 3.885 30 40 GHEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 219784056 SRJLSEJVIYQYRO-IBGZPJMESA-N 394.471 3.803 30 40 GHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225118164 CKELEWAQRVYXLC-UHFFFAOYSA-N 377.437 3.780 30 40 GHEB O=C(O)COc1ccccc1C=Nn1c(-c2ccc(Cl)cc2)n[nH]c1=S 254392413 KYEWRHUETZADAF-UHFFFAOYSA-N 388.836 3.607 30 40 GHEB CC12c3ccccc3C(C=O)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 409336041 QMKVDSIFIPXRSC-URFUVCHWSA-N 393.442 3.610 30 40 GHEB Cn1ncc(/N=C/c2cccc([N+](=O)[O-])c2)c1C(=O)Nc1cccc(Cl)c1 726743 AESBAKBTGHVYCP-KEBDBYFISA-N 383.795 3.985 30 40 GHEB COc1ccc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc2c1 933880 QNBJVHANNBSDMC-UHFFFAOYSA-N 392.484 3.912 30 40 GHEB CCN(CC)c1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 4595598 JXWRNECDAOJPAD-HYARGMPZSA-N 377.496 3.880 30 40 GHEB CCOC(=O)C1=C(C)OC(=S)[C@@H](C#N)[C@H]1c1ccc(Br)cc1 5716774 PDXFKHDRRYBRGR-GXTWGEPZSA-N 380.263 3.867 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)OC)nnc1-c1ccc(Br)cc1 8191653 GMNOKVPKRGXYSM-SNVBAGLBSA-N 382.283 3.547 30 40 GHEB CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 14165174 MFGDAEKDIRQPFB-VLIAUNLRSA-N 376.416 3.686 30 40 GHEB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(/N)c1ccc([N+](=O)[O-])cc1 17084008 RUCVLJSZUVCTEN-CYBMUJFWSA-N 385.420 3.523 30 40 GHEB COc1cc(OC)c(OC)c([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797104 WVEVCZBIJCXPMU-HXUWFJFHSA-N 393.443 3.940 30 40 GHEB O=C(NCC#CCOc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 90730801 KYGTYBMAKGOFCN-UHFFFAOYSA-N 399.446 3.746 30 40 GHEB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1ccc(C#N)cc1 96002687 DGVIKXJATUELEU-QGZVFWFLSA-N 378.398 3.507 30 40 GHEB C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCOCC2)cc1 225838255 QJQFPMLZHMEJDF-MRXNPFEDSA-N 380.517 3.637 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCCC[C@@H]2C)n1 225924893 NITQNUKWRISLFZ-CVEARBPZSA-N 388.585 3.564 30 40 GHEB C#CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OCC)c1 226307375 XDFLQQRTOLOZSU-UHFFFAOYSA-N 388.803 3.757 30 40 GHEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 408861574 DAEPLHZXBQNQKG-APSNUPSMSA-N 388.832 3.969 30 40 GHEB N#CCOc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 409051648 FKZJIJCIDXGXMB-AQTBWJFISA-N 398.415 3.843 30 40 GHEB Cc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1[N+](=O)[O-] 409058558 YRIIDZDSZACXIM-JLWPNQNFSA-N 397.412 3.835 30 40 GHEB COC(=O)c1scc(C)c1NC(=O)[C@@H](C)Sc1nc(C)cc(C)c1C#N 712073 LFPJGEIQPDQEOU-GFCCVEGCSA-N 389.502 3.846 30 40 GHEB C#CCOc1c(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cccc1OC 4680195 IIVCENMMHJVOKM-ULYVCNGISA-N 378.453 3.941 30 40 GHEB C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1CCCC1 4917842 BNDRCMUEGJPIOZ-HNNXBMFYSA-N 380.469 3.877 30 40 GHEB N#CC1(C#N)[C@H](C(=O)c2ccccc2)C12CCN(C(=O)OCc1ccccc1)CC2 5900430 CVEMIWCGOCBWKD-OAQYLSRUSA-N 399.450 3.952 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 6758352 PSQCBFSUPJANGD-FPOVZHCZSA-N 395.411 3.923 30 40 GHEB CCCc1cc(O)nc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n1 11438402 BRXZWBPETBKELW-UHFFFAOYSA-N 384.505 3.791 30 40 GHEB Cc1cccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1N 12480163 XDARZDJCUHAGOH-UHFFFAOYSA-N 394.475 3.778 30 40 GHEB Oc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1O 13941021 GKLQFLINJRNJOX-XYGWBWBKSA-N 385.467 3.819 30 40 GHEB CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 17079309 DERFBXSMYLWUCC-ZWKOTPCHSA-N 388.467 3.724 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 18197370 YXBIBRAWAVPYQB-SGTLLEGYSA-N 393.428 3.664 30 40 GHEB Cc1cccc(Nc2nnc(SCc3cc(O)n4ncc(C#N)c4n3)s2)c1 40114207 VGKKBJGIGZZPFK-UHFFFAOYSA-N 395.473 3.502 30 40 GHEB COc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 46706973 CMOCGHVRBFPHQY-CQSZACIVSA-N 379.441 3.774 30 40 GHEB C=CCc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OCC)c1O 59303323 GFHHEFOCLBJJOK-YBFXNURJSA-N 386.364 3.782 30 40 GHEB O=S(=O)(/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccccc1F 84505959 XCLYOKUVDWSKGQ-AATRIKPKSA-N 397.811 3.609 30 40 GHEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 84807937 ZVGLTTYGINKAJJ-UHFFFAOYSA-N 398.362 3.669 30 40 GHEB COc1ccc(Cc2n[nH]c(/N=C(\O)Cn3ccc4c(OC)cccc43)n2)cc1 95478689 AKNFGVNPAYGSLQ-UHFFFAOYSA-N 391.431 3.656 30 40 GHEB COc1cc(Br)c(O)c(/C=N/Cc2ccc(OC)c(OC)c2)c1 100318583 FSOLTKHAFYXJIW-VXLYETTFSA-N 380.238 3.800 30 40 GHEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(OC)c3O)S2)cc1 408964945 IUABHQGGUHVKFU-OVCLIPMQSA-N 390.848 3.954 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(OCc2cccc(F)c2)c1 409359669 MZTIMUMQWQDMDR-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C#N 871968 PJDWXAUUCPVQQE-UHFFFAOYSA-N 398.444 3.715 30 40 GHEB N#Cc1ccc(COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 9055678 CTYRZRGKUSWBIC-UHFFFAOYSA-N 382.375 3.716 30 40 GHEB N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12872702 YRJXKQCAFDMEKC-JNCPLXCYSA-N 377.488 3.704 30 40 GHEB N#CCCN(C(=O)CSc1nc(CC2CCCC2)n[nH]1)c1ccc(F)cc1 12971742 VUGMASOVRGKCKS-UHFFFAOYSA-N 387.484 3.715 30 40 GHEB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/n2cnnc2)c1Cl 408815489 RLBIBWSOYOYPMO-QPSGOUHRSA-N 394.218 3.980 30 40 GHEB CCOc1cc(/C=N/Nc2nc3ccccc3n2C)cc(Br)c1O 7343340 BXANARZPPJSTJR-VXLYETTFSA-N 389.253 3.886 30 40 GHEB C=CCOc1ccc(CN2[C@H]3CC[C@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cc1 253376826 VCGNMNHCPNYYHN-HYVJGQCMSA-N 375.472 3.540 30 40 GHEB COc1cc(/C=N/C2C3(C)CN4CC2(C)CN(C3)C4c2ccccc2)ccc1O 32103557 GSTCVPHZRBRXRJ-BRJLIKDPSA-N 391.515 3.545 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)cc1 102878076 BOZNINNRXGFAMQ-NHFXJNLRSA-N 386.407 3.717 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 949306 XNSRACDGVLPBAA-UHFFFAOYSA-N 385.876 3.967 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N\c1ccccc1 2777482 ZFKJXRBRMCKXPI-PQDITWEDSA-N 384.457 3.651 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/SC(C)(C)C(=O)N2c2ccccc2)cc1 4538111 AMKLRKCZXXSNEZ-CZIZESTLSA-N 388.514 3.852 30 40 GHEB CN(C)C(=S)N/N=C1\C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21 5124264 KVIFMIFUGAASDS-DAFNUICNSA-N 399.519 3.744 30 40 GHEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OC(C)C 5147199 LSGUUHFEMBPQSG-IBGZPJMESA-N 382.464 3.732 30 40 GHEB C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N/N=C/c1cccs1 5214320 YQBJJSPHFYJNRJ-MHCYFFLUSA-N 385.514 3.819 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccncc1 6907620 NGIDYILPEPBPNZ-UHFFFAOYSA-N 396.472 3.518 30 40 GHEB Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cc2ccccc2o1 9095984 YNAURZKIGPQUOM-UHFFFAOYSA-N 389.440 3.831 30 40 GHEB C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)C[C@@H](C)O1 30001661 ZZCYROWALPADNF-HZPDHXFCSA-N 380.448 3.688 30 40 GHEB C=CCc1ccc(OCC(=O)Nc2ccnn2Cc2ccccc2)c(OC)c1 32897859 GNWOAIGUNYHXPH-UHFFFAOYSA-N 377.444 3.686 30 40 GHEB C/C(=N\OCC(=O)N[C@@H]1CCc2c(Cl)cccc21)c1ccc2c(c1)OCO2 98055199 PLZRHGQOTFMHDZ-UXHMZNKVSA-N 386.835 3.613 30 40 GHEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2cccc(Br)c2o1 103613718 IMIFHQIKKUPDHX-LLVKDONJSA-N 384.189 3.551 30 40 GHEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccccc1 224678724 BNPRZAVDDZSFMJ-UHFFFAOYSA-N 379.865 3.898 30 40 GHEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 224729928 CRNUISZFLSQGMA-UHFFFAOYSA-N 396.262 3.559 30 40 GHEB O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)NCc1ccccc1 408576613 XNXAQTCCJIZWDI-UHFFFAOYSA-N 397.430 3.844 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1)S(C)(=O)=O 408624767 UGRRMQXDTYMFBE-UHFFFAOYSA-N 388.489 3.678 30 40 GHEB CC(C)Oc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409121950 ZIQGMZUVJLEWAS-GIJQJNRQSA-N 379.214 3.986 30 40 GHEB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(C#N)cc3F)n2)cc1 409215282 WTPMGURZKVIGOM-UHFFFAOYSA-N 395.415 3.925 30 40 GHEB COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(N)=O)n2)cc1 803788 TULXMXKDXBNWIN-UHFFFAOYSA-N 381.482 3.935 30 40 GHEB C=CCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2292565 MWWDIZDZNPHZGM-UHFFFAOYSA-N 377.835 3.725 30 40 GHEB CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1OC 4062102 LZMWNUDCDTUNNQ-FQEVSTJZSA-N 385.460 3.625 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 4119618 SBRHMXYKDZSSFM-FPOVZHCZSA-N 395.411 3.923 30 40 GHEB CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(=O)OC)cc1 4626406 NNECHDCPOBFQHY-BEFAXECRSA-N 387.476 3.974 30 40 GHEB COc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1Br 5629688 SZRZIRSBOIRLPY-UHFFFAOYSA-N 376.206 3.600 30 40 GHEB Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)oc2ccccc12 6547862 ZSEIWDZXBYRBCE-UHFFFAOYSA-N 380.375 3.984 30 40 GHEB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccco1 8620498 DZWIIOFAMDUXPB-UHFFFAOYSA-N 387.852 3.814 30 40 GHEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225074760 MKCNAHDEIOCGKV-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB COc1cc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)c([N+](=O)[O-])cc1OC 408977044 CLFRNSICRWOTNK-UHFFFAOYSA-N 390.399 3.934 30 40 GHEB CC(C)OC(=O)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 409187829 UTVARRAEQIZMDE-PDGQHHTCSA-N 396.468 3.909 30 40 GHEB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 559428288 CSXWOUSQMHQWKI-GOSISDBHSA-N 385.489 3.955 30 40 GHEB N#C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 596736956 UKQAPWIMQPLRFT-LPHOPBHVSA-N 397.500 3.864 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc3c(s2)CCC3)c1 4462233 AVYGNJXUIIWEQZ-UHFFFAOYSA-N 382.485 3.957 30 40 GHEB COc1cc(Br)cc(/C=N/N=C(\S)Nc2ccccc2)c1O 5798325 DYJYZJWQAJGFTB-RQZCQDPDSA-N 380.267 3.895 30 40 GHEB Cc1csc([C@@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCC[C@@H]32)n1 6599504 LGJDYISNVARYCT-WIYYLYMNSA-N 375.501 3.932 30 40 GHEB Cc1cccc(-n2c(SCc3cccc(C#N)c3)nnc2N2CCOCC2)c1 6994005 TXFHKUAIUNQJCR-UHFFFAOYSA-N 391.500 3.576 30 40 GHEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCC(=O)O 9197056 BAQAZLGWPBEZSQ-DNTJNYDQSA-N 383.231 3.589 30 40 GHEB C#CCOc1c(Br)cc(/C=C2/C(=O)Nc3ccccc32)cc1OC 15011372 YMQNSYLBYMNILC-NTEUORMPSA-N 384.229 3.962 30 40 GHEB COc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1OC 16195197 CPIBALKZGQLUMW-HMAPJEAMSA-N 389.883 3.522 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(/CC(C)C)c2ccccc2)nc1 96399324 PMHLMYPQRSOBOI-QOCHGBHMSA-N 388.537 3.974 30 40 GHEB O=S(=O)(O[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]1[C@H]2[C@@H]1[C@H]3CC[C@@H]41)c1ccc(Br)cc1 104289000 BGHXOCMILMODDG-PVOPPDIGSA-N 395.318 3.691 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(OC)ccc3OC)C2=O)s1 136658632 WDJLCCIWOLHHIW-FOCIWHPXSA-N 375.475 3.536 30 40 GHEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218385440 FECUZVSYGSPPAZ-HOTGVXAUSA-N 377.252 3.967 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1)S(C)(=O)=O 218392409 ONLKMESICROXFV-KRWDZBQOSA-N 386.517 3.746 30 40 GHEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409318336 UVYJAAWFJKQNJQ-GFCCVEGCSA-N 385.265 3.950 30 40 GHEB Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@H]1CCCC[C@@H]1C#N 598091623 VPDQYIYCTXCBHC-CABCVRRESA-N 379.489 3.667 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 2946261 SBDZMNPEPGTZAC-PDGQHHTCSA-N 394.408 3.843 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc1 23994593 TUWNRYMQQRGJGA-UHFFFAOYSA-N 385.265 3.571 30 40 GHEB Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 4329699 AWZLNUMNFFSBFY-UHFFFAOYSA-N 383.864 3.738 30 40 GHEB C[C@@]1(C2=CC(=O)c3ccccc3C2=O)C(=O)Nc2cc(Br)ccc21 4963161 NACYKWAGIACRBU-LJQANCHMSA-N 382.213 3.665 30 40 GHEB Cc1cc(C(=O)NCCNc2cccc(F)c2C#N)c(C)n1CC(F)(F)F 58402092 SPWIDHWXLSOPLZ-UHFFFAOYSA-N 382.361 3.520 30 40 GHEB CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc(OC)c(OC)c1 2260917 DQEKOZLEFRHNAC-DEFALTHMSA-N 382.551 3.872 30 40 GHEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2308315 DTVLYKIWEUSYLA-KRWDZBQOSA-N 379.508 3.658 30 40 GHEB C=CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 18222393 PUKYWRFIPBGZKA-KRWDZBQOSA-N 382.489 3.920 30 40 GHEB CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]2OC(C)=O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 1681491 GBEMDSZXTFIZDP-IXEBNVAOSA-N 388.504 3.992 30 40 GHEB biogenic Cc1cccc(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1C 222630249 DFHFKCIEXZHJFV-UHFFFAOYSA-N 399.516 3.554 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C(C(=N/O)\c2ccccc2)/c2ccccc2)cc1 16927762 QESFTDWENQWUBL-YEUCEMRASA-N 393.468 3.556 30 40 GHEB Cc1nc2c3ccccc3nc(SCCC(=O)Nc3ccc(C#N)cc3)n2n1 32903473 OAIAEMOLSGMJRJ-UHFFFAOYSA-N 388.456 3.579 30 40 GHEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1 852298 GLTGZJUPUNXXEF-RJRNSMGGSA-N 383.407 3.659 30 40 GHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccccc1 868599 JICIOXUSRQHABY-WXVFVKJXSA-N 383.473 3.675 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccco1 1440174 DCWWVBWCVRQCNM-GOSISDBHSA-N 390.351 3.971 30 40 GHEB CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 4777012 PWPMHQQGAWUSTG-INIZCTEOSA-N 399.476 3.956 30 40 GHEB C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 6105745 ZWJMPZCJJSOYBR-CYBMUJFWSA-N 390.472 3.616 30 40 GHEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3O)cc2O)nc1 9262180 KQOLIBZQOSNHJP-DJKKODMXSA-N 396.315 3.852 30 40 GHEB C=CCOc1ccccc1CN1CCC(c2cc(N)n3nc(C)cc3n2)CC1 12121558 ZDIPFYDPKSTIEE-UHFFFAOYSA-N 377.492 3.564 30 40 GHEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc2c1=O 12607448 UIRVCAYWRIPBPZ-UHFFFAOYSA-N 397.456 3.515 30 40 GHEB C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 35031554 FEACBXQMCWENHN-CEXWTWQISA-N 377.598 3.733 30 40 GHEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)o2)c1 39404167 MHEBQHKIEBKDMA-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 59484514 FLZOSLDFLIYARU-LQDNNDEMSA-N 385.463 3.564 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2cc(Cl)c3c(c2)OCCO3)s1 84205631 DKTAMIRMPSHHPV-ONEGZZNKSA-N 399.877 3.840 30 40 GHEB COc1ccc2c(c1)CCC/C2=N/OCc1cc([N+](=O)[O-])cc2c1OCOC2 89467179 YFNFWTUVMKUBTA-VZCXRCSSSA-N 384.388 3.727 30 40 GHEB C=CCSc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 219820669 WAPCZFDBYKUASN-UHFFFAOYSA-N 381.545 3.647 30 40 GHEB CCOc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409408536 YGFSYIYWUGIBSC-LWWSYDQCSA-N 379.243 3.533 30 40 GHEB CC(=O)/C(=N\Nc1cccc(Cl)c1C)Sc1nnnn1-c1ccccc1 2200410 MHAXXAKIUJRGSV-CAPFRKAQSA-N 386.868 3.731 30 40 GHEB N#Cc1c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)sc2c1CCC2 2777650 TZYCMVIGLVVQKZ-UHFFFAOYSA-N 380.395 3.840 30 40 GHEB Clc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 4199412 JWBNWPPVXAYVRN-PXLXIMEGSA-N 399.930 3.952 30 40 GHEB Cc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 4496133 HFFPQYRNGFGMDK-UHFFFAOYSA-N 388.514 3.610 30 40 GHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(O)c(OC)c2)C1=O 4688351 VTSHGLXZTNLIFS-LFIBNONCSA-N 383.425 3.554 30 40 GHEB CCCCn1c(S[C@H](C)C#N)nc2cc(S(=O)(=O)N(CC)CC)ccc21 6101575 HWPCFLTZJOFBFJ-CQSZACIVSA-N 394.566 3.871 30 40 GHEB N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 7729049 SWYKKBDMTQXESJ-UHFFFAOYSA-N 392.362 3.564 30 40 GHEB Cc1ccccc1-n1cnnc1SCC(=O)Nc1c(C#N)oc2ccccc12 7976097 YYHNUQATIGIGIJ-UHFFFAOYSA-N 389.440 3.924 30 40 GHEB CSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 9058843 VRVAPVCXDIPDCB-HNNXBMFYSA-N 385.449 3.566 30 40 GHEB N#Cc1c(SCC(=O)c2ccccc2)nc(N2CCOCC2)c2c1CCCC2 20573320 CSJXMBVQUNUSEC-UHFFFAOYSA-N 393.512 3.644 30 40 GHEB COc1cc(C(=O)/C=C/c2ccccc2OC(F)(F)F)ccc1OCC(=O)O 22016336 FPPCMNJDQUNEPZ-SOFGYWHQSA-N 396.317 3.953 30 40 GHEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccn1 24672179 ZTIWGGYDAQCHDO-FQEVSTJZSA-N 387.524 3.658 30 40 GHEB COc1ccc(/C=C2/CSC/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O 96766118 WRNUUUREXVLBJO-DUGOVBPYSA-N 384.453 3.898 30 40 GHEB C=C(C)Cn1nc(C)c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C 100755911 WCZLWRJHEDGQAR-XMSQKQJNSA-N 392.551 3.728 30 40 GHEB N#C[C@]1(C(=O)O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516982 YOKFVECABJTTSG-UXLLHSPISA-N 396.251 3.528 30 40 GHEB Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccccc1 409140966 FYZPMYQCSSMHHG-UHFFFAOYSA-N 383.407 3.806 30 40 GHEB CCOC(=O)c1sc(Nc2ncc(C#N)c(-c3ccc(F)cc3)n2)nc1C 9087226 MZQJTXGFBBZEHR-UHFFFAOYSA-N 383.408 3.840 30 40 GHEB COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c(OC)c1OC 12662937 WFQGLFSTTHFNGC-ZDLGFXPLSA-N 396.395 3.644 30 40 GHEB biogenic C=C(C)C[C@@H]1N(c2cccc3ccccc23)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 2421543 UNQJGGLNVXXYSR-ZJQTUCFNSA-N 375.424 3.546 30 40 GHEB COc1cc(/C=C/C(=O)OCCCC(=O)c2ccccc2)ccc1OCC#N 2653620 YJGOUJUCKFVDLJ-ZRDIBKRKSA-N 379.412 3.817 30 40 GHEB CCOc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OC 4505798 JEHZCVIRAYJNBO-KGENOOAVSA-N 384.457 3.560 30 40 GHEB CC(C)N(C(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccccc1 17207657 IURRUCYTAOARON-UHFFFAOYSA-N 378.471 3.970 30 40 GHEB N#Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409340196 SAANUGZTAJNAHI-OQLLNIDSSA-N 399.884 3.758 30 40 GHEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218348969 VXGJUNFHEJWHKQ-JAXLGGSGSA-N 397.496 3.570 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)cc1 225527132 MQYQIJHLUMFJAE-UHFFFAOYSA-N 388.489 3.764 30 40 GHEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224921259 DXYXPXHKYYPFLH-UHFFFAOYSA-N 383.828 3.647 30 40 GHEB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\O)cc2Br)c1 8369969 BMFVHTQLKUPVKX-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc1 19864087 WPHGEJVGYLCVCH-OAQYLSRUSA-N 392.499 3.752 30 40 GHEB COc1ccccc1NC(=O)COc1nc(CC(C)C)c2c(c1C#N)CCC2 32092258 LAVFUICZFXYPRL-UHFFFAOYSA-N 379.460 3.667 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 102873575 VGXMAOKIZFCFRX-GHNGSUTGSA-N 383.444 3.645 30 40 GHEB COc1ccc(/C=N/Nn2cncn2)cc1CSc1nc2ccccc2s1 5396065 APIHKOAMEPBJJL-AWQFTUOYSA-N 396.501 3.766 30 40 GHEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(CCc2ccccc2)c1=O 5863624 IKGYOMBACYRIMA-UHFFFAOYSA-N 378.815 3.553 30 40 GHEB CC1=C/C(=N\OS(=O)(=O)c2ccc(Br)cc2)C(C(C)C)=CC1=O 5950341 JVGLUCJYPAAECJ-OBGWFSINSA-N 398.278 3.622 30 40 GHEB Fc1ccccc1-c1cs/c(=N\C[C@H]2CCCO2)n1/N=C/c1cccnc1 7612063 JATOLTDZWSSLDQ-XNCCQOAUSA-N 382.464 3.713 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 7927215 CAZMSDNJEBNGKO-INIZCTEOSA-N 389.908 3.893 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc2ccccc12 8996808 FOZDFQOOGFJYAH-LJQANCHMSA-N 377.396 3.658 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 20633206 VIRMKEVYLXKOPI-LJQANCHMSA-N 390.399 3.963 30 40 GHEB N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1cccs1)N1CCOCC1 27794084 HDUKAYIXZGZSGU-QGZVFWFLSA-N 380.473 3.760 30 40 GHEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OC)cc3)C(=O)N2C)cc1 100279711 BIEYNCYIUUQIHK-WIQPNEMMSA-N 382.441 3.716 30 40 GHEB N#Cc1c(/N=[N+](/[O-])c2cnn(-c3ccccc3)c2C#N)cnn1-c1ccccc1 100349194 CIRQOGLYUUWSKM-AZPGRJICSA-N 380.371 3.727 30 40 GHEB CCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)NCC(C)(C)C 101433545 RHCIHYXHWUJIJU-GOSISDBHSA-N 397.604 3.820 30 40 GHEB O/N=C1/C[C@@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@H]2CO[C@H]1O2 105260610 ARSOMLNPDAIQKS-YXYSCGMMSA-N 379.388 3.517 30 40 GHEB CCn1cccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409275113 ICDOLLRQIUOCDE-UHFFFAOYSA-N 387.281 3.986 30 40 GHEB CCCCc1ccc(-c2csc(NC(=O)[C@H](C)n3cnc(C#N)n3)n2)cc1 538403875 FWUPKLHBIGRLRU-ZDUSSCGKSA-N 380.477 3.816 30 40 GHEB CC(C)(C)c1cn2nc(OC[C@H]3CCN(Cc4ccc(C#N)cc4)C3)ccc2n1 2087045667 ACGAITXYDYEIII-IBGZPJMESA-N 389.503 3.799 30 40 GHEB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C=O)(c4ccccc43)[C@H]2C1=O 852714 PBIOYGUVAXOEOW-FGEXJBCWSA-N 393.442 3.745 30 40 GHEB biogenic C=CCOc1c(OCC)cc(/C=N/O)c(Br)c1Br 2102857 XMWWPEBFWRXZDV-VIZOYTHASA-N 379.048 3.983 30 40 GHEB COc1ccc(S(=O)(=O)ON=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1 3078101 CGHWZLIJXITQQQ-UHFFFAOYSA-N 377.462 3.504 30 40 GHEB CCOc1cc(N2CCOCC2)c(OCC)cc1/N=C/c1ccc([N+](=O)[O-])o1 3245616 UEVOJFFXDVXSFY-DEDYPNTBSA-N 389.408 3.572 30 40 GHEB C=CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 5230743 RJYTULAHSDTKEP-UHFFFAOYSA-N 376.441 3.773 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccs1 5799441 LCKBZKSAZZUESK-LFVOPCPISA-N 398.528 3.820 30 40 GHEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n1 7371504 HYUGEJFEEKCHCY-OAHLLOKOSA-N 395.513 3.878 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)[nH]1 14152602 UTWUWNWXIFAWCK-UHFFFAOYSA-N 399.863 3.640 30 40 GHEB COc1ccc(C(=O)/C=C/c2cn(CN3CCOCC3)c3ccccc23)cc1 20518687 WSIGWZNAVHIOEQ-DHZHZOJOSA-N 376.456 3.836 30 40 GHEB N#Cc1ccccc1NC(=O)O[C@H]1COCCN(c2nc3ccccc3s2)C1 96269049 KSALSNGSEPGDBO-OAHLLOKOSA-N 394.456 3.622 30 40 GHEB biogenic,in-vitro CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(C)c3[C@@H]2C)cc1OC 96935775 UOZJRJIVFAGZGZ-DWKHYPNZSA-N 395.455 3.608 30 40 GHEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Br)cc1 408581515 IQWNFNJAEURDGT-UHFFFAOYSA-N 375.222 3.980 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S1 408752427 HIEHVBOQDCMZPY-OQLLNIDSSA-N 384.373 3.703 30 40 GHEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC 408987872 PDAQUZVLTMJDPE-RGEXLXHISA-N 390.439 3.653 30 40 GHEB CCOc1c(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409100967 XNASNBWSCRJDQG-GIJQJNRQSA-N 395.213 3.606 30 40 GHEB CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 528966007 UJAYZJKLLPRQOL-OPAMFIHVSA-N 395.434 3.965 30 40 GHEB N#Cc1cc2c(nc1N1CCC(c3noc4cc(F)ccc34)CC1)CCOC2 569075500 YOMPZKKGOPVGCL-UHFFFAOYSA-N 378.407 3.690 30 40 GHEB C#CCCC1(CCC(=O)N[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)N=N1 1616032141 RFXIEBIFBAIOQA-INIZCTEOSA-N 382.247 3.765 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(=O)OC)cc1 2801306 ZHZBEAVVYUPDCY-FQEVSTJZSA-N 397.471 3.784 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccco1 6471442 SYLJXKNJEWOSMX-UHFFFAOYSA-N 399.432 3.672 30 40 GHEB C=CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1cccnc1 10558900 YCPYMDNTCGKLSE-UHFFFAOYSA-N 389.484 3.993 30 40 GHEB O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc2c(c1)OCCO2 11290042 OIAOOVJJNIAWNR-GQCTYLIASA-N 377.318 3.855 30 40 GHEB C=CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1C 9484094 SOOJJVKCWPEYGU-UHFFFAOYSA-N 387.237 3.513 30 40 GHEB C=C(C)Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)COC(C)(C)C3 9483020 YGDBCIMWIGKPQQ-UHFFFAOYSA-N 396.472 3.793 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 7763860 PTRSNDKCSDPDGA-UHFFFAOYSA-N 395.513 3.868 30 40 GHEB N#Cc1c(NC(=O)CN(Cc2ccco2)Cc2ccco2)sc2c1CCC2 7726175 KAVYXQDVMZZVAK-UHFFFAOYSA-N 381.457 3.935 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccs2)cc1 18219432 HBALTVPIPPKPKC-BFUOFWGJSA-N 378.457 3.764 30 40 GHEB CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2csc(-c3ccco3)n2)c1 89322654 UKHVGWRFVDVQPY-CMDGGOBGSA-N 388.470 3.550 30 40 GHEB CCCCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 408710269 VLJMKXKGSJSNHJ-UHFFFAOYSA-N 392.540 3.619 30 40 GHEB N/C(=N\OCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 39992612 DEOHYISXWWPRLS-UHFFFAOYSA-N 387.745 3.514 30 40 GHEB N#C[C@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(C(F)(F)F)cn1 48829832 IREHUEXOFZBXNZ-AWEZNQCLSA-N 375.306 3.547 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(O)cc1)c1cccs1 85409825 QCDKLAZDBFWRGU-CQSZACIVSA-N 384.438 3.693 30 40 GHEB COc1cc2c(cc1OC)-c1cc(-c3ccccc3OC)c(C#N)c(=N)n1CC2 101375836 BGZJDODUTGKJAC-UHFFFAOYSA-N 387.439 3.755 30 40 GHEB biogenic CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1F 662511 HMCBHNXZUSRGCF-MRXNPFEDSA-N 391.414 3.844 30 40 GHEB CCCCCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21 2320158 IONTWAIDPPMSMW-UHFFFAOYSA-N 380.448 3.720 30 40 GHEB Cc1ccccc1-n1c(=C(C#N)C#N)s/c(=C\c2ccc(C(C)(C)C)cc2)c1=O 3362090 KKGWVQACZYSKOW-BKUYFWCQSA-N 399.519 3.532 30 40 GHEB O=C(O)c1ccc(COc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 4106829 ZFFMOHQJKCVITM-SSDVNMTOSA-N 392.371 3.713 30 40 GHEB N#Cc1ccc(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4245778 NALMVSRSMLSDBO-UHFFFAOYSA-N 379.294 3.641 30 40 GHEB CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cc1 4412225 YQEWPIRPFSEQCR-SFHVURJKSA-N 383.521 3.868 30 40 GHEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1 7188190 XUVKAZNSDJIFKY-AWEZNQCLSA-N 394.500 3.815 30 40 GHEB Cc1c(C#N)c(NC(=O)CCSc2ncccn2)n(Cc2ccco2)c1C 14122852 QNCWVUXPXIADCV-UHFFFAOYSA-N 381.461 3.529 30 40 GHEB Cc1ccc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N(C)C)c2)o1 100257774 ITDXVQHVROTXJU-XSFVSMFZSA-N 375.494 3.579 30 40 GHEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O 2306800 XOUWMMDJOYRBEO-GFCCVEGCSA-N 393.468 3.512 30 40 GHEB aggregator COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)c(OC)c1 4162640 JGSHIHQSGGSRFL-KQHCDTJNSA-N 398.440 3.636 30 40 GHEB COc1ccc(/C=N\OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 4866158 YSKGVOSSUCOWQS-JJFYIABZSA-N 399.472 3.505 30 40 GHEB N#Cc1ccccc1COC(=O)c1cccc(C(=O)OCc2ccccc2C#N)n1 5230774 LRNANWQWOPUCME-UHFFFAOYSA-N 397.390 3.539 30 40 GHEB CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 5444147 NFGMZIFGYGHBEY-SFHVURJKSA-N 380.400 3.829 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 5488552 HKMXKJBSRLFWSR-JBCNATCCSA-N 392.499 3.840 30 40 GHEB Cc1c(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)sc2cccc(F)c12 10683120 KNRUMNPFGXCBQQ-BLVKFPJESA-N 376.453 3.949 30 40 GHEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2ccccc2)CC1 12418535 YXDLFWCMRRLVPF-VAWYXSNFSA-N 384.439 3.679 30 40 GHEB Cc1cc(NCc2nc3ccccc3c(=O)n2CC#N)ccc1Br 12734297 WTSZHWPZRSEZTL-UHFFFAOYSA-N 383.249 3.603 30 40 GHEB CCOC(=O)N1CCC(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 12739915 GJSLNJFBDKCDDN-UHFFFAOYSA-N 376.456 3.893 30 40 GHEB CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 13010486 SCBISRNVPUGVAC-UHFFFAOYSA-N 386.858 3.621 30 40 GHEB C=C(C)Cn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 13030819 GDUGBTFIQINBGF-UHFFFAOYSA-N 395.459 3.568 30 40 GHEB NC(=S)N/N=C(\c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1C(=O)O 16102237 UEHTUOMASVKCCX-HIXSDJFHSA-N 387.464 3.542 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2Cl)cc1 19138580 WHNVHCDOJNDFRZ-SCLBCKFNSA-N 385.847 3.608 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1 19208991 WTYVRTKCUQQCAS-NRFANRHFSA-N 392.499 3.833 30 40 GHEB COc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(OC)c1OC 40049493 YORMIBXOWFIXIJ-UHFFFAOYSA-N 388.423 3.760 30 40 GHEB O=C(Cc1noc2ccccc12)NCC#CCOc1cccc(C(F)(F)F)c1 90610453 WQIHKETXORTEHU-UHFFFAOYSA-N 388.345 3.588 30 40 GHEB C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)c1 219793584 AODNIGNLQULQIV-FQEVSTJZSA-N 387.501 3.926 30 40 GHEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccccc1 409048738 SYHVPGHUCVGSSF-YSYOXLTRSA-N 378.431 3.913 30 40 GHEB O=C1C(=Cc2cn(CC(=O)N3CCCC3)c3ccccc23)C(=O)c2ccccc21 409133733 RCHTWUDHJZARBV-UHFFFAOYSA-N 384.435 3.726 30 40 GHEB CCOc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409287113 SIBUVDKSWOLUSV-UHFFFAOYSA-N 386.249 3.748 30 40 GHEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 409371564 XEPQBYZSMKTZKQ-JMIUGGIZSA-N 378.812 3.573 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 1451105 HNTGEFIVOJSMHJ-KRWDZBQOSA-N 396.424 3.836 30 40 GHEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C[C@]12C#N 4199101 XJNIDPXCCOSCQA-BHIYHBOVSA-N 397.573 3.785 30 40 GHEB Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 4964328 XCUXBKKFFIWSFM-XSFVSMFZSA-N 387.461 3.828 30 40 GHEB CCOC(=O)c1ccc(N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 5598594 UJHIJUNFSMFRIA-VXLYETTFSA-N 393.237 3.786 30 40 GHEB N#Cc1cccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1 6099553 LHOGXGJTSRGLPI-UHFFFAOYSA-N 378.244 3.639 30 40 GHEB COc1cc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)ccc1O 6649668 IFDFCXCIYCRDOL-DNTJNYDQSA-N 383.454 3.783 30 40 GHEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6815958 UAVWOYGPKKKOGM-UHFFFAOYSA-N 392.396 3.853 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1ccccc1 7738229 HZDKTEVZTULIGK-MRXNPFEDSA-N 397.500 3.833 30 40 GHEB COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c1 12858035 VBNZRFALMOPJSZ-JMIUGGIZSA-N 398.411 3.650 30 40 GHEB biogenic N#Cc1oc2ccccc2c1NC(=O)CSc1ncn(-c2ccccc2)n1 14805445 OGDPNHQCRPYABA-UHFFFAOYSA-N 375.413 3.616 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])n1ncnc1N2 18197357 COTJCOIZJPLKFQ-VOJFVSQTSA-N 393.428 3.664 30 40 GHEB N/C(=N\OC(=O)c1cccs1)c1ccc(OCc2cnc(Cl)s2)cc1 63111020 PBASWOJUFPSZOV-UHFFFAOYSA-N 393.877 3.914 30 40 GHEB N#Cc1c(Br)c(C#N)c(Br)c(C#N)c1Br 196490167 JFQCQELTUDXMQH-UHFFFAOYSA-N 389.832 3.589 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408938663 QWYRQSNGGDUKAD-AQTBWJFISA-N 376.412 3.535 30 40 GHEB CCc1nnc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)s1 4849106 TUYRQMQATMNTHN-UHFFFAOYSA-N 383.502 3.868 30 40 GHEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1 14199309 FFJDPMCFMHXOFH-FMIVXFBMSA-N 393.361 3.948 30 40 GHEB C=CCc1cc(CN2CCN(c3ccccc3OCC)CC2)c(O)c(OC)c1 6998381 YETOTTAUTIEZNZ-UHFFFAOYSA-N 382.504 3.850 30 40 GHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218056640 NAJCPNJCFQUMKQ-GBESFXJTSA-N 375.877 3.826 30 40 GHEB C=CCSc1nnc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)s1 225841026 ZNVANIKPLOHVPE-UHFFFAOYSA-N 393.515 3.779 30 40 GHEB N#Cc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 253562263 DBTBWXQFKLNIIJ-UHFFFAOYSA-N 393.516 3.875 30 40 GHEB Cc1cccc(-n2cc(CN3CCN(Cc4ccc(C#N)cc4)CC3)c(C)n2)c1 1205082983 UIORBTFHEIIRDK-UHFFFAOYSA-N 385.515 3.679 30 40 GHEB N/C(=N\C(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13153695 NDQXCKYZVUDLHT-UHFFFAOYSA-N 398.510 3.549 30 40 GHEB N#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1 15738973 DDCWIHLHXNLFEY-UHFFFAOYSA-N 395.418 3.649 30 40 GHEB CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)c(C(=O)OCC)c1C 17297241 BFPJOYPTLXCQRB-UHFFFAOYSA-N 386.429 3.534 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nncs3)[C@H]2c2ccc(C)cc2)cc1 104248970 AKEXBZLHASRRLX-HVESIFNPSA-N 391.452 3.781 30 40 GHEB Cc1cc2oc(=O)cc(COC(=O)COc3ccc(C#N)cc3)c2cc1Cl 2635440 DNHIIQQLADPADJ-UHFFFAOYSA-N 383.787 3.749 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@H](CC)C(=O)N2C2CCCCC2)cc1 4538103 SCFAZNORVIOIFU-NHKNDPDJSA-N 394.562 3.980 30 40 GHEB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)s1 7269483 FZPNUWGEWQVEBO-UHFFFAOYSA-N 382.470 3.632 30 40 GHEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2F)cc1 9087194 RTKCHLOIFWVOBU-QKKBWIMNSA-N 390.418 3.842 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)s1 12549149 IFTNTWNASYMHRS-OVCLIPMQSA-N 393.715 3.867 30 40 GHEB N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccccc1)N1CCOCC1 27748719 LFUPSHOGACWRND-KRWDZBQOSA-N 380.473 3.760 30 40 GHEB CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)ccc1Cl 225970451 IKUNASWSKZNPBS-UHFFFAOYSA-N 389.864 3.519 30 40 GHEB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O 409139593 BJVKOEPXBRNCPV-XDHOZWIPSA-N 394.452 3.820 30 40 GHEB C=CCn1c(SCC(=O)NCc2cccs2)nnc1-c1cccc(C)c1 3400744 XRKNVTFNWWAUHV-UHFFFAOYSA-N 384.530 3.910 30 40 GHEB C#CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 4739233 SBLJDSGXWOCNBC-UHFFFAOYSA-N 378.424 3.835 30 40 GHEB N#Cc1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCCC2 6097416 SMZJVIFSGWWBOM-UHFFFAOYSA-N 387.534 3.547 30 40 GHEB N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)cc1 6847502 UFBGKAOPKZACEA-UHFFFAOYSA-N 392.465 3.978 30 40 GHEB C/N=C(\S)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 8855167 REHMQQADKYVDHV-VXLYETTFSA-N 378.295 3.867 30 40 GHEB COC(=O)COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197062 VEAPVOVSPDEHCX-ZVBGSRNCSA-N 397.258 3.678 30 40 GHEB CCCCCOc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 11667050 MZGRNGZTMYUPFR-UHFFFAOYSA-N 376.460 3.849 30 40 GHEB Cc1cccc(C(=O)N2CCN(c3oc(-c4ccccc4F)nc3C#N)CC2)c1 12418323 YZZBZXFNGVASTR-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)n2)C1 13001564 QLPZKRPBOHXFKB-BZUAXINKSA-N 398.532 3.899 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)c1c(O)n[nH]c1N2 18196499 UCTMUULEFNWDJP-AYVTZFPOSA-N 398.400 3.636 30 40 GHEB C/C(=N\OCC(=O)N[C@@H]1CCCC[C@@H]1C)c1nc2ccccc2n1C(F)F 22200701 JLPYTQIWROQDPN-RNQXMILRSA-N 378.423 3.867 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)cc1 25637691 BANOWTFHDIMOBX-UHFFFAOYSA-N 393.918 3.978 30 40 GHEB CCN(CC)c1ccc(/N=C2\C=C(C(=O)NC)C(=O)c3ccccc32)c(C)c1 55167572 ICEZCGKMKDYPQG-NJNXFGOHSA-N 375.472 3.831 30 40 GHEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224752107 VUPRNQCXWGCCFA-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB C=CCN1CC[C@@]2(CN(Cc3cc(C)cc(C)c3)C[C@H]2c2nccs2)C1=O 306140865 VFUDTYFMEWMEFP-UGKGYDQZSA-N 381.545 3.764 30 40 GHEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408719564 WMMZJIDCFVODKH-GOSISDBHSA-N 397.412 3.704 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C)c1C 409275933 NBNGWSMLXZEQMR-UHFFFAOYSA-N 387.281 3.559 30 40 GHEB CCSC(=N)N/N=C/c1cc(Br)cc(Br)c1O 2286678 ZDYYAQYZANXRSB-LHHJGKSTSA-N 381.093 3.529 30 40 GHEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(N(C)C)C2=O)c1 4491584 RSEYQDHSADPDGZ-BIXZQSIESA-N 383.473 3.784 30 40 GHEB CCc1ccc2[nH]c3nc(N/N=C/c4ccc(Br)o4)nnc3c2c1 5471594 RYOFECDMHQXCTE-QGMBQPNBSA-N 385.225 3.870 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2c(F)cccc2Cl)n1 6607475 UVWKLRJHWHGIPB-FYJFLYSWSA-N 378.812 3.677 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(C)cc3)cc21 8959620 KQWPLRFEOGEHMT-UHFFFAOYSA-N 394.471 3.950 30 40 GHEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc1O2 12365575 XUTFHNFXKSQEFE-HSZRJFAPSA-N 377.488 3.527 30 40 GHEB C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccccc1OC 16695949 KTKZSBITXBTYMM-RDSDJNLHSA-N 397.475 3.897 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1cccs1 102510714 DTLJYAIQAQEZCC-SELCWUDQSA-N 394.427 3.904 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 102926714 ZDIKWQNLWSQUEK-SELCWUDQSA-N 385.847 3.798 30 40 GHEB COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218426674 OCDWQEYIJOLGSI-CEXWTWQISA-N 375.877 3.745 30 40 GHEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccccc1)[N+](C)(C)CC3)OCO2 1280402 XMLKRVFIXBNAEE-YXBWYFRISA-N 380.464 3.770 30 40 GHEB biogenic COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)C(C)C)ccc2C1=O 12662470 VMXFORPACFMZAE-UKWGHVSLSA-N 398.411 3.890 30 40 GHEB biogenic C=CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(NC(C)=O)ccc21 100874928 JLHQWCYVCJXBKS-LNVKXUELSA-N 395.484 3.744 30 40 GHEB O=C(/N=C1\c2ccccc2CN1c1ncccn1)c1ccc(Br)cc1 104779212 XGBBWUXLQIZVGM-HAVVHWLPSA-N 393.244 3.846 30 40 GHEB CCCN[C@@H](c1ccc(/C=N\C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 104083169 IVFCNXGJTASRQM-ISXXMWLLSA-N 395.758 3.650 30 40 GHEB O=C1C[C@@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc21 2317084 XWGJIOQTBKLKGX-VIFPVBQESA-N 382.178 3.809 30 40 GHEB NC(=O)CO/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 6219990 JDTMFCYHTJICQB-AFUMVMLFSA-N 390.439 3.680 30 40 GHEB C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCCOC)=C1C 7551019 IZPUKXNSSYVVTG-MRXNPFEDSA-N 399.274 3.709 30 40 GHEB CC1(C)Cc2c(sc3ncnc(N/N=C(/S)NCc4ccccc4)c23)CO1 8691072 SITZBMBZVJRXGR-UHFFFAOYSA-N 399.545 3.945 30 40 GHEB CC/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1cccnc1)OCO4 35315165 KQHGPROHVNUVJO-XDOYNYLZSA-N 378.457 3.842 30 40 GHEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1OC 48492618 CNOTTWJDQLFNDX-RYUDHWBXSA-N 395.399 3.718 30 40 GHEB COc1ccc(S(=O)(=O)Nc2ccccc2/C(=N/O)c2ccccc2)cc1 5260069 MBCQHYMODTZHOP-QZQOTICOSA-N 382.441 3.723 30 40 GHEB Oc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1O 1478098 KYRCNKYXCCIVIO-WSVATBPTSA-N 381.244 3.834 30 40 GHEB N#Cc1ccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl 5668274 RXISIGFWUMMMSQ-UHFFFAOYSA-N 396.752 3.955 30 40 GHEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1C#N 5336720 CXOLTILXKGIIKD-FOKLQQMPSA-N 390.399 3.812 30 40 GHEB COc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(Br)cc23)cc1 6411079 AMGMRHPKALDYAV-DJKKODMXSA-N 397.236 3.723 30 40 GHEB N#Cc1cnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)c(Cl)c1 1888864391 DCYNQMRHXBWOAC-UHFFFAOYSA-N 390.825 3.538 30 40 GHEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cc(C)ccc21 32105396 WGKUCANZHDUBHT-DEOSSOPVSA-N 396.450 3.747 30 40 GHEB CCCCOC(=O)C(=O)/C(=C\n1c(=S)[nH]c2ccccc21)C(=O)C=C(C)C 1637364 WAZFSJOXKAKXTJ-OWBHPGMISA-N 386.473 3.987 30 40 GHEB CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C#N 5637528 KBVXRQBAJNSQER-UHFFFAOYSA-N 378.310 3.560 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)n2C)c1 5862446 QLOXQEJHKBITNL-UHFFFAOYSA-N 395.488 3.731 30 40 GHEB CCOC(=O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1OCC 8811899 SSOPUXXJXDKPKU-WSDLNYQXSA-N 390.867 3.804 30 40 GHEB C=C(C)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 11392619 WVOUXNSYZNGGFT-UHFFFAOYSA-N 382.869 3.554 30 40 GHEB CC(=O)Nc1ccc(/C(C)=N/O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 14397842 WXPUBNKMDBNRLU-IVWKQIGUSA-N 375.375 3.691 30 40 GHEB N#Cc1ccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 23865200 PSWMMRRDKGNSEO-MDZDMXLPSA-N 388.496 3.526 30 40 GHEB Cc1ccc(-c2nn3c(SCC#N)nc4ccc(Cl)cc4c3nc2=O)cc1 95469500 YIPNSJJJHBBINV-UHFFFAOYSA-N 393.859 3.882 30 40 GHEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccccc1C#N 96602240 JPZMCMXCAVBYJQ-SRZZPIQSSA-N 379.445 3.591 30 40 GHEB O=C(O)c1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 408749896 JVXNJZNRTNHTEF-JJFYIABZSA-N 392.371 3.713 30 40 GHEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3OC)nc2c1 977012 YGJIXHYVHIEZFW-UHFFFAOYSA-N 379.441 3.854 30 40 GHEB N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 3298877 OIKODZXIHIFVFS-UHFFFAOYSA-N 389.386 3.967 30 40 GHEB C#CCn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033477 KFAIRRMYSRRRHG-CQSZACIVSA-N 394.272 3.953 30 40 GHEB CCc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3OC)S2)cc1 17084639 RHYHQOLHFPQCAR-QGZVFWFLSA-N 383.473 3.506 30 40 GHEB C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1OC 214864149 GIJKELMESIBXRL-LCYFTJDESA-N 394.836 3.524 30 40 GHEB CCOc1cc(Br)c(/C=C2\S/C(=N/C)N(C)C2=O)cc1OCC 408850570 OFVNCUUSLJGPSI-YSZNWWIGSA-N 399.310 3.778 30 40 GHEB CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)O)cc2)C2=C1CCCC2=O 409068523 SXSNPYQSXKDRRZ-UHFFFAOYSA-N 395.455 3.583 30 40 GHEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3ccccc3)o2)[nH]c(=O)c1C#N 6024856 OYLWGSYAJVOOAW-VQHVLOKHSA-N 377.356 3.732 30 40 GHEB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc(C#N)c2)n1 3433406 DCEOSVDMYOLUOX-UHFFFAOYSA-N 399.863 3.736 30 40 GHEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(OC)cc2)CC1=O 4910268 YQDJIASKNIIBGC-KRWDZBQOSA-N 391.471 3.626 30 40 GHEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 22078440 UPBLKTOHFOWGML-LJQANCHMSA-N 398.890 3.870 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 13645436 JBENCTXCRROMPU-LGMDPLHJSA-N 396.493 3.798 30 40 GHEB COc1ccc2c(c1)c(CC(=O)OCC#N)c(C)n2C(=O)c1ccc(Cl)cc1 3449462 QWAHTBNPBZHMDN-UHFFFAOYSA-N 396.830 3.910 30 40 GHEB Cc1nn(C)c(C)c1/C=C(/C(=O)c1ccc(Cl)cc1Cl)n1cncn1 4460138 UCMSTUMWKSZJNU-APSNUPSMSA-N 376.247 3.816 30 40 GHEB C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1 4559375 ILKYFAMSEMAOOF-INIZCTEOSA-N 384.863 3.574 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4944418 AAYCNFXERXALDU-LLVKDONJSA-N 381.379 3.541 30 40 GHEB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)o2)c1 5294140 FQWSDRNKNCSPAW-AWEZNQCLSA-N 394.456 3.948 30 40 GHEB CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 17206015 JKHLKMILQHGZHL-UHFFFAOYSA-O 376.480 3.599 30 40 GHEB COc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 38654398 DUGIBINYABGRAT-UHFFFAOYSA-N 386.455 3.970 30 40 GHEB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 70462101 AAMMNWAXAQAUTA-UHFFFAOYSA-N 392.459 3.726 30 40 GHEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 408605550 JGLBKRWLSAFNRH-UHFFFAOYSA-N 398.278 3.823 30 40 GHEB N#CCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 1116141093 XTERVZOYYWHRIS-QGZVFWFLSA-N 398.850 3.559 30 40 GHEB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C#N)cc2)n2ncnc2N1 4705308 PZNPVUUBFWSKNJ-GOSISDBHSA-N 390.834 3.731 30 40 GHEB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(CCC#N)CCC#N)o2)cc1 7161097 XBHPYAVBDMHEBG-UHFFFAOYSA-N 397.504 3.782 30 40 GHEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1OC 8112822 XFKHOSUVWZNDAY-IBGZPJMESA-N 381.453 3.514 30 40 GHEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OC 8917245 VQQSDEYFXGBWBL-FQEVSTJZSA-N 391.423 3.932 30 40 GHEB N#Cc1c(N)sc2c1CCN(c1nc(-c3ccncc3)nc3ccccc13)C2 12730875 AQDGYHLDXSWSNK-UHFFFAOYSA-N 384.468 3.770 30 40 GHEB C=CCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19015356 ZELIYZMTTAWODO-QHCPKHFHSA-N 375.516 3.648 30 40 GHEB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCCN(c2ccccc2C#N)CC1 52801190 CKHVIGULLHPXKL-INIZCTEOSA-N 382.895 3.751 30 40 GHEB N/C(=N\OC(=O)c1cccs1)c1cccc(OCc2cnc(Cl)s2)c1 63111028 CZUMZPNRRHYDOZ-UHFFFAOYSA-N 393.877 3.914 30 40 GHEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955148 ZTEMCRGNBKQIOO-UHFFFAOYSA-N 397.880 3.747 30 40 GHEB C/C(=N\Nc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)c1ccc(F)cc1 408725804 IDOKQXBPMUAQTP-JFLMPSFJSA-N 391.454 3.613 30 40 GHEB C=CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC 408938691 REKTYJSJHPPWRA-UNOMPAQXSA-N 386.364 3.913 30 40 GHEB Cc1cccc(COc2ccccc2C=Nn2c(O)nc3ccccc3c2=O)c1 409360896 QOAUNBLKSXXGIK-UHFFFAOYSA-N 385.423 3.872 30 40 GHEB COc1ccc([C@@H]2C=C(c3ccc(Br)cc3)NC(=O)[C@@H]2C#N)cc1 1775968626 HWFXJIHUAJCXDA-DLBZAZTESA-N 383.245 3.852 30 40 GHEB N#Cc1cccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 2278974 LVDICHPUYRVVPI-UHFFFAOYSA-N 393.358 3.527 30 40 GHEB CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccccc1C#N 6439568 FAMQRNZKUQOAKS-VCHYOVAHSA-N 379.441 3.675 30 40 GHEB COc1cc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)ccc1O 6646400 DVZOSNUVMCEGKH-HWKANZROSA-N 379.206 3.774 30 40 GHEB O=C1/C(=C\c2ccccc2)N(Cc2ccncc2)S(=O)(=O)c2ccccc21 8992450 OTXSOLGOMIJWQK-XMHGGMMESA-N 376.437 3.510 30 40 GHEB C=CCn1c(Cc2csc(NC(=O)c3ccccc3F)n2)n[nH]c1=S 12900334 NOWXVDBBMQNJRS-UHFFFAOYSA-N 375.454 3.565 30 40 GHEB C=CCc1cc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)ccc1OC 19289614 KSQNZSPVFKUYNK-UHFFFAOYSA-N 380.473 3.632 30 40 GHEB C=C(C)CN1CCN(c2c(CCC#N)c(C)c(C#N)c3nc4ccccc4n23)CC1 52670809 NXJQJFBYTADAHI-UHFFFAOYSA-N 398.514 3.822 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223347476 QMUTXVSDVGTZRU-INIZCTEOSA-N 378.472 3.887 30 40 GHEB N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4c(F)cccc43)CC2)c(F)c1 506791397 ZHIUVBHKNDFEFC-HXUWFJFHSA-N 381.426 3.857 30 40 GHEB C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[S@@](=O)C1 556788485 HLSKDXJPSBRAJN-YVORESIASA-N 383.473 3.583 30 40 GHEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccc(C)n1)C2 585106942 LSSNLTLEBQGRPC-XMMPIXPASA-N 399.498 3.713 30 40 GHEB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c1 852719 ITOCMGJMMLKZTN-ZQFKLAOWSA-N 393.442 3.745 30 40 GHEB biogenic Cc1ccc(/N=C2\C(=O)N(CN3C[C@H](C)O[C@@H](C)C3)c3ccccc32)cc1C 4492226 XFGYCGMCYMQGTR-ZSXCCPFRSA-N 377.488 3.838 30 40 GHEB N#Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 6099602 KIYQXGGPMXWJDH-UHFFFAOYSA-N 378.244 3.639 30 40 GHEB C=CCn1c(CC)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 9699253 FYBBUSYZLYDLEA-UHFFFAOYSA-N 387.534 3.569 30 40 GHEB Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccs2)n(C[C@@H]2CCCO2)c1C 14124019 QFYBYPHVXBRGTB-HOCLYGCPSA-N 386.521 3.506 30 40 GHEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\C=C\c2ccccc2)C3=O)CC1 22930735 SVOGPOIFXQFHAB-DDIODMMUSA-N 390.483 3.702 30 40 GHEB N#Cc1ccc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 23731822 CRMSRZHLJCRLQF-UHFFFAOYSA-N 389.377 3.932 30 40 GHEB C=CCc1cc(/C=N\Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OC 32115687 QUVVIFQWUKOMHQ-CFRMEGHHSA-N 394.475 3.990 30 40 GHEB C[C@@H]1C(=NO)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 33887584 XIEVXBGRBVCJHK-KHGIDLIESA-N 384.392 3.991 30 40 GHEB COc1cccc(/C=C/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)c1OC 64695664 RFXJWLHBYRZSPY-RMKNXTFCSA-N 399.827 3.855 30 40 GHEB COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 6855369 QJWNATLBUDMYBP-OAQYLSRUSA-N 390.439 3.704 30 40 GHEB CN(C)/C=C/C(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)s1 1394973 GCGNQFIHPVATLG-CMDGGOBGSA-N 375.925 3.986 30 40 GHEB C=CCn1c(SCC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 3319214 QSOLWRXCOWULRL-UHFFFAOYSA-N 391.562 3.530 30 40 GHEB CN(CCC#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 2622967 BCCTYAQCRTZIKG-UHFFFAOYSA-N 395.463 3.538 30 40 GHEB CC(C)[C@@H]1SC(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)=NC1=O 3671385 COFYSWDZSXSLNO-QPHXDFOYSA-N 385.464 3.982 30 40 GHEB CSc1nc(NCCOC(=O)c2ccco2)c(C#N)c(-c2ccc(C)cc2)n1 19794141 DEMNRYKRMVHEAH-UHFFFAOYSA-N 394.456 3.908 30 40 GHEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)[nH]c(=O)c21 5864475 JKOKAELQVQPKOA-OAHLLOKOSA-N 397.500 3.701 30 40 GHEB C=CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1cccnc1 8471293 JEGRMDNXBHVOPX-HNNXBMFYSA-N 391.500 3.596 30 40 GHEB Cc1cc(C#N)ccc1NC1CCC(OC(=O)c2ccc3c(c2)nnn3C)CC1 89589237 CIFLVXBNRAOVOU-UHFFFAOYSA-N 389.459 3.729 30 40 GHEB Cc1cc(-c2ccccc2)nc2oc3c(=O)n(/N=C/c4cccnc4)cnc3c12 12968595 PGQXFHFGQOJPDA-BRJLIKDPSA-N 381.395 3.790 30 40 GHEB CN1CCc2c(sc(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)c2C#N)C1 4739507 SZNZXEAWXRSEJU-FBCYGCLPSA-N 376.825 3.625 30 40 GHEB N#CC1(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)CCCCC1 5061858 QPEIIGSEPQYAMU-UHFFFAOYSA-N 391.471 3.613 30 40 GHEB CCOc1ccc(/C=N/OCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 5397376 KQRUEOVFQUCMQD-LSFURLLWSA-N 382.338 3.500 30 40 GHEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1C#N 5688335 YXFZDWAWYXEFIE-UHFFFAOYSA-N 379.203 3.848 30 40 GHEB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c(OC)c1 6052669 NMGNWIHFQFVPFZ-GOSISDBHSA-N 386.835 3.868 30 40 GHEB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C/C(=O)c1cc2ccccc2o1 8944358 IAOXFMSUNWYDBU-WAVCKPEOSA-N 384.457 3.502 30 40 GHEB CC(=O)c1ccc(NC(=O)COc2nc(CC(C)C)c3c(c2C#N)CCC3)cc1 12324469 MDZQYEPMAMFIOA-UHFFFAOYSA-N 391.471 3.861 30 40 GHEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3OC)N(C)C)o2)cc1 27562200 QQXOYBXUNVFMRE-IBGZPJMESA-N 392.459 3.945 30 40 GHEB C[C@@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1cccc(F)c1)O2 102720598 HYQYXMBFHQUQBX-IKLNAOFOSA-N 386.386 3.948 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 102803428 CBKVCNXZQCIFQE-GROYHEBESA-N 391.452 3.781 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102864112 GTCDOGZBAJRMDU-NHFXJNLRSA-N 388.398 3.843 30 40 GHEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224711942 XLNOKVAIUQQZNK-UHFFFAOYSA-N 379.865 3.816 30 40 GHEB C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1nccn1C 596900544 PZHIHTAREYKDMC-AWEZNQCLSA-N 391.479 3.658 30 40 GHEB C=CCSc1nnc(NC(=O)C2=C(c3ccccc3)SCCO2)s1 12321879 YGRDNOOQUWIMQE-UHFFFAOYSA-N 377.516 3.887 30 40 GHEB C=CCOc1ccc(-c2nonc2NC(=O)c2cc(=O)c3ccccc3o2)cc1 12391273 SODUEVKTRJAHFI-UHFFFAOYSA-N 389.367 3.660 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 23762736 NBRGCYHRCYNDCN-UHFFFAOYSA-N 379.529 3.847 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccccc1 3485191 QKYVHGYWXTWKDA-UHFFFAOYSA-N 382.464 3.679 30 40 GHEB CN(C)c1ccc(/C=C2/C[N+](C)(C)C/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 8652906 BYHUEJIXMCUORK-BMJUYKDLSA-N 390.551 3.945 30 40 GHEB Cc1ccc(NCc2n[n+](CC(=O)c3ccccc3)c3n2CCCCC3)cc1 27028857 XLZLZGALPIXZAZ-UHFFFAOYSA-N 375.496 3.700 30 40 GHEB CN1/C(=C\C(=O)CSc2nncn2Cc2ccco2)C(C)(C)c2ccccc21 102845902 SQHQBDUWIOJPIL-ODLFYWEKSA-N 394.500 3.892 30 40 GHEB C=CCc1ccc(OCC(=O)OCc2nc(-c3ccccc3)no2)c(OC)c1 11624150 QNVMBMXAYYZGOH-UHFFFAOYSA-N 380.400 3.596 30 40 GHEB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 12941926 PKVIOFASBVTBQG-UHFFFAOYSA-N 375.449 3.742 30 40 GHEB N#Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 5478235 HJIGPBHCAOPVGF-YPAWHYETSA-N 395.418 3.609 30 40 GHEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccncc1 5931324 VCJHGHDMRXMNPP-IAQYHMDHSA-N 382.489 3.620 30 40 GHEB C=CCn1c(SC(C)C)nnc1-c1nnn(Cc2ccc(Cl)cc2)c1N 19897434 YLLMELBJKZXODZ-UHFFFAOYSA-N 389.916 3.507 30 40 GHEB COc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3C)N(C)C2=O)c1O 408931133 HOWMLHJQJDOZEO-HGRRHRODSA-N 398.440 3.641 30 40 GHEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409063582 CSLTYLZONZTFNP-VXLYETTFSA-N 383.320 3.613 30 40 GHEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 225664577 NDPOGSSNHYPNBQ-YESZJQIVSA-N 380.252 3.642 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225080797 QTSCFHRXRNAQAG-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB C=C(C)Cn1c(SCc2cc(O)n[nH]2)nc2sc3c(c2c1=O)CCCC3 4911314 WSZRRWVAAOEWCR-UHFFFAOYSA-N 388.518 3.634 30 40 GHEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2cccs2)CC1 12418829 ZKGBYBQAXNCTTA-AATRIKPKSA-N 396.497 3.802 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 4944419 AAYCNFXERXALDU-NSHDSACASA-N 381.379 3.541 30 40 GHEB Cc1ccc(C[C@@H]2SC(N/N=C/c3ccccc3OC(C)C)=NC2=O)cc1 6009265 DIQACYUVBFUZRX-MEGCXXLRSA-N 381.501 3.946 30 40 GHEB C=CCN(CC=C)C(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 408722730 WOWYVFBDNJXVBZ-JPYJTQIMSA-N 380.488 3.817 30 40 GHEB COc1ccc(OC)c([C@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)c1 20029517 ODQXXUNDCNEUNK-GFCCVEGCSA-N 394.456 3.550 30 40 GHEB C=CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 7850743 UZJXDWPJRYBVJN-QGZVFWFLSA-N 381.457 3.581 30 40 GHEB CCCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 8435283 BAMVHOIAWTUAMY-UHFFFAOYSA-N 380.558 3.922 30 40 GHEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 219807583 GNSLFGGMLZMIQD-UHFFFAOYSA-N 382.485 3.689 30 40 GHEB CC#CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NC1CCC1)C2 49171703 LSBPHCXTPXWCKI-SFTDATJTSA-N 377.532 3.935 30 40 GHEB biogenic,in-vitro C/N=C1\S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1C 18272532 IVOHQDYMSYDGOA-FEGCFHEDSA-N 376.279 3.772 30 40 GHEB C=CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2cc(C)cc(C)c21 4988036 ZUFCQEBQUYPJRR-HSZRJFAPSA-N 379.456 3.582 30 40 GHEB N#Cc1c2c(c3nncn3c1NCc1ccccc1)CN(Cc1ccccc1)CC2 20713753 SMFKSNKZKFTCIU-UHFFFAOYSA-N 394.482 3.771 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102801856 WOJGZDWMHUACAQ-UDOZCRMJSA-N 377.440 3.596 30 40 GHEB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/N1CCOCC1 6588562 RBMFBSMNNLFDMH-HZHRSRAPSA-N 380.423 3.778 30 40 GHEB N#Cc1ccc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)cc1 12796258 FZXYPMOHVKJNLQ-UHFFFAOYSA-N 385.452 3.952 30 40 GHEB N#Cc1cccc(S(=O)(=O)/N=c2/[nH]c(-c3ccc4c(c3)CCCC4)cs2)c1 28248608 YTZVFERPIGOHRQ-UHFFFAOYSA-N 395.509 3.783 30 40 GHEB CC(C)Oc1c(I)cc(Br)cc1/C=N/O 2762637 LBCHUJFQKJSFDJ-WLRTZDKTSA-N 384.011 3.649 30 40 GHEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1 13570064 NMDGJMYTCMZYQI-SFHVURJKSA-N 387.443 3.723 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 5183749 ORUBIOYKLBIVBS-NRFANRHFSA-N 382.533 3.898 30 40 GHEB Cc1ccccc1-n1c(C)cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 408590246 OIMRWWDKUMJMQA-HJPLHKNASA-N 399.494 3.790 30 40 GHEB COc1cc(/C=N/Nc2nc3ccccc3s2)cc(Cl)c1OCC(=O)O 409045461 PQCGHXFXWTUYQJ-UFWORHAWSA-N 391.836 3.868 30 40 GHEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19498909 NQPLBIDBKWQHST-FQEVSTJZSA-N 394.490 3.918 30 40 GHEB CCOP(=O)(OCC)O/N=C1\C[C@H](C)S(=O)(=O)c2ccc(Cl)cc21 4289124 QMLIXMCZFLCWKR-CDSOTZFASA-N 395.801 3.808 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1 102805260 PQGZXOAFINWNIQ-GROYHEBESA-N 396.424 3.679 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1 7504470 FSSPSBAAMBNYMP-QGZVFWFLSA-N 386.473 3.537 30 40 GHEB CCc1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1 13778080 AKVRTMYWOXCHIQ-MOSHPQCFSA-N 379.412 3.696 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 6505389 WIILVYHKERKUPE-FRKPEAEDSA-N 383.133 3.851 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2C)cc1OC 4899263 FZBHXGQEAHVSNE-SGZMSURCSA-N 397.500 3.866 30 40 GHEB CNC(=S)[C@@H](C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 17173047 DCPILRDBAHCJQC-SFHVURJKSA-N 386.480 3.507 30 40 GHEB C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OCC 409193988 JRYCIVLRQCOIPP-QGOAFFKASA-N 378.428 3.743 30 40 GHEB Cc1cccc(S(=O)(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1C#N 1561174680 LTDTUXRXRQCQOE-QGZVFWFLSA-N 392.427 3.824 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](c2cccc(F)c2)C1 560676382 RKBOAWDQWSSKJR-HKUYNNGSSA-N 395.478 3.959 30 40 GHEB CC1=C(Br)C(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1ccccc1 15224720 MNEAKANPDLXBBQ-NBVRZTHBSA-N 382.279 3.650 30 40 GHEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1C 4649273 AYRYCVWTMFITSM-YBLIXAOFSA-N 382.441 3.936 30 40 GHEB COC(=O)[C@H]1C(=O)C=C(Nc2cc(OC)ccc2OC)C[C@H]1c1ccccc1 1080003 WHEMSCCUAMVRDZ-LAUBAEHRSA-N 381.428 3.545 30 40 GHEB CCOc1ccc(C(=O)COC(=O)CCSc2nc(C)cc(C)c2C#N)cc1 13579585 QZDFKFNANTZYJS-UHFFFAOYSA-N 398.484 3.877 30 40 GHEB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 100129363 KEUXLWIQTBTHBJ-WMLDXEAASA-N 394.858 3.815 30 40 GHEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 101636724 HYCFNKMHCQYCBC-NPAMKKHASA-N 392.527 3.738 30 40 GHEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 4388516 WPIFYDLOTZSDLA-UHFFFAOYSA-N 379.489 3.874 30 40 GHEB Cc1ccccc1/N=C1\SCCCN1C(=O)c1nn(C)c(=O)c2ccccc12 6341244 GUYUKRXDUYWWKH-DQRAZIAOSA-N 392.484 3.509 30 40 GHEB C=CCOc1c(Br)cc(CNn2c(CC)n[nH]c2=S)cc1OC 8339013 PNFMSPWKCWTDEJ-UHFFFAOYSA-N 399.314 3.583 30 40 GHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)S1 12032390 BPXLKGWSFLCHQJ-LDADJPATSA-N 384.457 3.994 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3ccc(C)cc3C)c3n2CCC3)cc1 13768657 FEZLJBWCTZPDBH-UHFFFAOYSA-O 376.480 3.653 30 40 GHEB CC1=NN(c2ccccc2)C(=O)[C@H]1C(C)(C#N)[C@@H]1C(=O)N(c2ccccc2)N=C1C 16607668 MKNWARFTXNRPCG-PMACEKPBSA-N 399.454 3.594 30 40 GHEB Cc1ccc(-n2nnnc2SCc2c(C#N)c(C)nn2-c2ccccc2)cc1 18278528 SASRZJMZNDZHQO-UHFFFAOYSA-N 387.472 3.629 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)no1 102804199 DLRHZDXBEJWDBJ-SELCWUDQSA-N 396.349 3.888 30 40 GHEB CCOC(=O)c1c(C)oc2c1/C(=C\NC[C@H]1CCCO1)C(=O)c1ccccc1-2 103164168 NSZUXCORWBQNJQ-RFRKOGIWSA-N 381.428 3.738 30 40 GHEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218465467 AAMLPQFULJKIJD-YQQAZPJKSA-N 396.251 3.528 30 40 GHEB CCOc1cc(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1O 408910078 JAPCEPSJDHJXLG-MFOYZWKCSA-N 380.198 3.908 30 40 GHEB CCN1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccc(C(=O)OC)cc1 408912691 QXYLWNIDRIBSEU-CZZIWQEQSA-N 398.440 3.508 30 40 GHEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(Cl)c1 409286151 VVUUTUUQEGZIBG-UHFFFAOYSA-N 392.640 3.709 30 40 GHEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 409331603 GPFLSPIWBYNYFF-FRKPEAEDSA-N 399.378 3.511 30 40 GHEB C(=N/N=c1\[nH]n2cnnc2c2ccccc12)\c1ccccc1OCc1ccccc1 1306945 QRFDFRDBZPCHNU-ZVHZXABRSA-N 394.438 3.724 30 40 GHEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2305691 KWAOMBCWZNYXIO-UHFFFAOYSA-N 385.402 3.917 30 40 GHEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 2801414 WUYOZFWZHDMGKY-FQEVSTJZSA-N 397.471 3.734 30 40 GHEB COc1cc(/C=C2\S/C(=N/C(C)=O)NC2=O)ccc1OCc1ccccc1C 4502468 YSLIDUIAPHIHJC-ODLFYWEKSA-N 396.468 3.689 30 40 GHEB C=CCn1c(C)cc(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c1C 4539975 SMRFLWLVTHGEQD-LJQANCHMSA-N 398.484 3.520 30 40 GHEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(Cl)cc3)C(=O)NC2=S)cc1 4738572 WWNGEZNUXQUYKZ-XYHOIZSOSA-N 385.876 3.669 30 40 GHEB N#Cc1c(SCC(=O)c2ccc(Cl)s2)sc2c(O)cc(=O)[nH]c12 4945739 JVRZBKXHFIZDKF-UHFFFAOYSA-N 382.875 3.857 30 40 GHEB C=CCNC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CCCC2 5027475 OSDMRJZHCPGKDS-UHFFFAOYSA-N 384.501 3.869 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(C(F)(F)F)nn21 5345009 VFEZPZKOBLABIG-OAHLLOKOSA-N 378.354 3.718 30 40 GHEB Cc1cccc2[nH]c3c(=O)n(/N=C/c4cccc(Br)c4O)cnc3c12 5478302 OSQPHMIWZNBAHP-ODCIPOBUSA-N 397.232 3.537 30 40 GHEB C=CCn1c(SCc2cc(=O)n3c(C)cccc3n2)nnc1-c1ccoc1C 7216538 WZMYYLXZUUUXJC-UHFFFAOYSA-N 393.472 3.641 30 40 GHEB O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1cc(Cl)ccc1O 83330309 FWSMPLDDUBVKJT-CNHKJKLMSA-N 378.613 3.583 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 104185347 IJKUSTKOEXVHOS-UYTDBDHRSA-N 395.415 3.612 30 40 GHEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1Cl 408537534 WAYKIXMLBAJHAH-LFIJZLDSSA-N 394.258 3.579 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408864123 WRKBBSITQGIRPI-QGMBQPNBSA-N 376.825 3.623 30 40 GHEB COC(=O)c1ccc(-c2nc(CN3CCc4c(CC#N)cccc4C3)co2)cc1 599676341 AWCMSFPLXJFMNK-UHFFFAOYSA-N 387.439 3.753 30 40 GHEB CCOC(=O)CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2 2372076 RJKVPAMCXDPRPM-UHFFFAOYSA-N 386.498 3.785 30 40 GHEB COc1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC 4491613 UIEMICXUVJAWFL-GEVRCRHISA-N 376.281 3.854 30 40 GHEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 4724213 SZLJUVYODBHNJE-LJQANCHMSA-N 376.239 3.987 30 40 GHEB Cc1n[nH]c(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)O)n1 6588268 RDGDXUNYFGIRMB-ZDLGFXPLSA-N 392.440 3.782 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OCC)c1O 14009433 PCCISALKRCPCJZ-WOJGMQOQSA-N 396.418 3.751 30 40 GHEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 59426247 GEBXHTWARXTPTJ-VXLYETTFSA-N 396.315 3.907 30 40 GHEB C#C[C@@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 61894812 FNLAEOVBNXMZCC-OHQOYAQSSA-N 386.532 3.894 30 40 GHEB CCn1c(=O)c2ccccc2n2c(CSc3ccc(Cl)cc3C#N)nnc12 79058150 LRWCNHMFARLFSE-UHFFFAOYSA-N 395.875 3.881 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc2ccccc12 102798938 PVUXOXPSZBIGCP-MRJHHRETSA-N 387.435 3.908 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1 102805265 PQGZXOAFINWNIQ-HVESIFNPSA-N 396.424 3.679 30 40 GHEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nccs2)cc1 102877196 UGVNWAYELMODSX-GROYHEBESA-N 392.436 3.778 30 40 GHEB N#Cc1ccccc1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 3373007 DAIMDHCNPTZYAB-UHFFFAOYSA-N 395.462 3.834 30 40 GHEB Cc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(C(=O)O)cc1 57878133 YBCUDWHNEMDYRE-GOSISDBHSA-N 379.412 3.818 30 40 GHEB O=C(O)c1ccc(N/N=C/c2cc3cc4c(cc3nc2Cl)OCCO4)cc1 5519351 BIZGKIVEVRIRNO-UFFVCSGVSA-N 383.791 3.804 30 40 GHEB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408803841 TZNBOMJSYPVQHM-UHFFFAOYSA-N 380.449 3.669 30 40 GHEB COc1ccc(S(=O)(=O)/N=C(\O)CCc2cccc(Cl)c2)c([N+](=O)[O-])c1 48566796 GKYPPLOGUGKSLS-UHFFFAOYSA-N 398.824 3.535 30 40 GHEB CCc1c(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cnn1CC(C)C 599760995 URLRAQYHJKHQJX-UHFFFAOYSA-N 395.507 3.801 30 40 GHEB COc1cc(Br)cc(/C=N/c2ccc(NC(N)=S)cc2)c1O 6274848 CHOFFEZSASGBNH-QGMBQPNBSA-N 380.267 3.569 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C(=O)NC1=S 208224013 NOJXCJJHMRZOSS-RQNDZEIBSA-N 397.544 3.530 30 40 GHEB N#Cc1nc(-c2ccccc2Cl)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32124319 RSSKWJMOBDPEOI-KGLIPLIRSA-N 392.846 3.652 30 40 GHEB biogenic Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c1 798045 GKBVDXZBNMGECX-OAQYLSRUSA-N 399.450 3.872 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(OC)c1 720033 AUTHIGPVRCOTLD-NQZBTDCJSA-N 392.455 3.926 30 40 GHEB CCOc1ccc2ccccc2c1/C=N\Nc1cn[nH]c(=O)c1Br 5009467 FMUVJHSYKYTGBV-OCKHKDLRSA-N 387.237 3.530 30 40 GHEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(Cl)cc2)cc1 5668958 NLQYVQIKDKJUNR-GOSISDBHSA-N 384.819 3.787 30 40 GHEB COC(=O)c1ccc(COc2ccc(/C=N/Nc3nc(C)cc(C)n3)cc2)cc1 5784348 SFHNYFKXFUXHGM-YDZHTSKRSA-N 390.443 3.905 30 40 GHEB COc1cc(C)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1OC 12533131 YGPGNTQYRDYZBT-UHFFFAOYSA-N 385.489 3.935 30 40 GHEB O=C(NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F)c1cccc(F)c1 17241655 DNMVQSGFABCSOM-UHFFFAOYSA-N 381.251 3.884 30 40 GHEB COc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 44165950 CCRYZFPPEJHOAK-UHFFFAOYSA-N 386.455 3.970 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803410 GQRDYXVZAWFLSX-GHNGSUTGSA-N 394.383 3.519 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408808498 JDUNILQSWSQJAO-LFIBNONCSA-N 382.803 3.571 30 40 GHEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)cc1 408950858 GPRMEVNRLKBVSH-MHWRWJLKSA-N 385.401 3.591 30 40 GHEB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 2478534 ALGCRGVDDRTVNG-BBITVKMKSA-N 376.415 3.955 30 40 GHEB Cc1ccc(C(=O)Oc2ccccc2/C=N/NS(=O)(=O)c2ccccc2)cc1 2801196 VZKLWNYMTUBVFR-PXLXIMEGSA-N 394.452 3.527 30 40 GHEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2OC)CC1=O 4910206 NAAFEYNGWCGHMP-QGZVFWFLSA-N 391.471 3.626 30 40 GHEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc2ccccc12 7267756 DVUDIYCKFKIRNU-MRXNPFEDSA-N 386.455 3.609 30 40 GHEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 8009888 AOCBQPLNJUIZBE-NSHDSACASA-N 393.226 3.814 30 40 GHEB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3sccc3C#N)n2n1 8704155 OBWVDXHKBDGPSY-JTQLQIEISA-N 394.485 3.638 30 40 GHEB N#Cc1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn2ccccc12 12745357 PWRAKHKUPFVDGT-UHFFFAOYSA-N 385.393 3.547 30 40 GHEB N#Cc1ccnc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 12865236 WLDMQMKKMBODSZ-UHFFFAOYSA-N 398.495 3.952 30 40 GHEB Cc1c(C)c(C)c(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccccc2)c(C)c1C 17081100 KBWVGGNBXMZPAX-FMCGGJTJSA-N 396.516 3.931 30 40 GHEB Nc1nc(N2CCCCC2)nc2c1[C@H](c1ccccc1F)C1=C(CCCC1=O)N2 20673762 HYRAOKBJMJHNIM-QGZVFWFLSA-N 393.466 3.753 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cc2ccccc2o1 40082173 FXAGLIQGDHIUAH-AWEZNQCLSA-N 387.443 3.774 30 40 GHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=O)c1ccccn1)c1ccnc2ccccc12 96029536 DKBSGEPCDLMFJP-XZUXRINTSA-N 398.510 3.997 30 40 GHEB in-vitro COc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1Br 96792628 IZHQGRDYTZDBKR-WQLSENKSSA-N 393.258 3.511 30 40 GHEB O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)ON1C(=O)CCC1=O 97942956 CNIJQRCEJKPATG-KPKJPENVSA-N 385.803 3.539 30 40 GHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1 409303042 FUZCSEKXVPJVNB-UHFFFAOYSA-N 385.265 3.734 30 40 GHEB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(C#N)cc2Cl)CC1 1888888126 SVKBEZYFFXXXAD-UHFFFAOYSA-N 393.878 3.542 30 40 GHEB O=S(=O)(O[C@@H]1C[C@@H]2O[C@@H]1c1ccccc12)c1ccc(Br)cc1 101044483 XAYUTBUIXNEVPQ-ARFHVFGLSA-N 381.247 3.739 30 40 GHEB C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C1CC1 14228336 WFCMNJWIGHRDMZ-CQSZACIVSA-N 379.485 3.817 30 40 GHEB Cc1occc1-c1nnc(SCC(=O)Nc2c(C#N)oc3ccccc23)n1C 6589423 JOFGAHWGYDOKEV-UHFFFAOYSA-N 393.428 3.732 30 40 GHEB O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cccnc1Oc1ccccc1 6755399 ALXUTNVFRQZDFH-UYRXBGFRSA-N 386.407 3.972 30 40 GHEB biogenic N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccc(F)c(Cl)c2)c1=O 5861925 NIXBKPFWBZDFBN-UHFFFAOYSA-N 386.741 3.577 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)c1 96336512 ISBNKGKQLWKJEP-HNNXBMFYSA-N 382.397 3.528 30 40 GHEB C=CCn1c(C)nn(CN(C)Cc2cc(Br)ccc2OC)c1=S 8109470 AXVUAENETPILPE-UHFFFAOYSA-N 397.342 3.769 30 40 GHEB C=CCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C 9935680 PDRISPSMMSLRJD-RUZDIDTESA-N 399.494 3.985 30 40 GHEB biogenic O=C(C[C@H]1CC2=C(C[C@@H](c3ccc(F)cc3)CC2=O)NC1=O)Nc1ccccc1 1548338297 COOODIBFBIBIOI-HZPDHXFCSA-N 392.430 3.691 30 40 GHEB C=CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409140248 QGYSMIQLVCMVPZ-AQTBWJFISA-N 394.452 3.660 30 40 GHEB CC/C(=N\OC/C=C/Cl)C1=C(O)C[C@H](C[C@@H](C)[S@@](=O)CC)CC1=O 71973609 UABMGBLIZYILDD-UYDIFFHKSA-N 375.918 3.860 30 40 GHEB in-vitro C#CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC#C)CCCCC3)cc2)CCCCC1 4763646 UPKUGKVWTUEFGD-UHFFFAOYSA-N 398.594 3.657 30 40 GHEB C[C@@H](Oc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1)C(=O)O 5007367 YEVJAFHHJXAIIY-FFCYNSPCSA-N 386.404 3.569 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1 6785321 GTGMYQRMZMCNEA-GHNGSUTGSA-N 384.501 3.512 30 40 GHEB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O 6851843 IZKAOAQEANJMJF-AWEZNQCLSA-N 383.835 3.520 30 40 GHEB COc1cc(OC)c(OC)cc1C=Nn1c(C2CCCCC2)n[nH]c1=S 8462267 DVMOYUYHECEBSS-UHFFFAOYSA-N 376.482 3.896 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1cccnc1 8471238 GHJUTGZZZGEPNL-ZMSDIMECSA-N 385.537 3.559 30 40 GHEB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)c(C)c1 9328128 WAIOJLLXDARENS-UHFFFAOYSA-N 392.484 3.858 30 40 GHEB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)c1 9328137 PVAXWPAPTABWAX-UHFFFAOYSA-N 392.484 3.858 30 40 GHEB Cc1ccc(-c2nc3n(c(=O)c2C#N)CN(c2ccc(F)cc2)CS3)cc1 9420319 XRWZLVFCFZKLAE-UHFFFAOYSA-N 378.432 3.757 30 40 GHEB CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 11092926 XERUHGKXFTXUJQ-BTYIYWSLSA-N 379.460 3.643 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCC)c(O)c1 12111583 GNHXMSVHATWFPQ-HXUWFJFHSA-N 391.423 3.937 30 40 GHEB C[N+](C)(C)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 17198622 XWWQIGFMXIYJTA-SWRBISBUSA-N 389.519 3.661 30 40 GHEB CCNC(=O)[C@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 18043417 ZJNQELDZLWEYPN-MAVBTGMRSA-N 395.528 3.777 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 19138498 LTSLEDCOTUMLEE-AZUAARDMSA-N 377.440 3.752 30 40 GHEB COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C(C)C)N(C(C)C)C1=O 103877186 WCCMLEBYPQIAFD-MEUCICPISA-N 397.928 3.794 30 40 GHEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)c1 219794098 LQXKTOMIVQCRCA-UHFFFAOYSA-N 393.443 3.972 30 40 GHEB Cc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 409211946 KUVFVCSJLHSDDE-UFWORHAWSA-N 377.187 3.802 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccccc2F)cc1 409403653 ITZWEBFAQBLFIH-SNHGZMDHSA-N 390.414 3.546 30 40 GHEB N#Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 47261969 BYAQYOPQPMKAHM-MRXNPFEDSA-N 399.292 3.566 30 40 GHEB COc1ccc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(Cl)c1 72309081 OVBOVVPIMIEAKX-UHFFFAOYSA-N 398.850 3.790 30 40 GHEB O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1464415 STVGUHIUFXFTNG-FNLSEGDXSA-N 399.903 3.799 30 40 GHEB C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 97712750 AETUURDNANNSOW-UHFFFAOYSA-N 386.455 3.939 30 40 GHEB CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1[N+](=O)[O-] 4476816 HOEWXSYINAJTRI-JRUMVTRASA-N 396.443 3.848 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccc(N2CCCC2=O)c1 7350133 QAMAWINFPLHZOC-MDZDMXLPSA-N 381.428 3.735 30 40 GHEB C=C(Br)CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 60114542 LMDDOJXLFBHHTN-KRWDZBQOSA-N 387.277 3.573 30 40 GHEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1C#N 16267809 XTULYHMAZGIYLE-FOKLQQMPSA-N 390.399 3.812 30 40 GHEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@H]3C2=O)cc1 1433811 WHRVFWDCBCUYOH-FGEXJBCWSA-N 393.442 3.745 30 40 GHEB biogenic CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 101662081 XOORRGVNYNAAGD-BTYIYWSLSA-N 391.487 3.674 30 40 GHEB Cc1ccc(COc2cccc(/C=N/NS(=O)(=O)c3ccccc3)c2)cc1 657543 BAYRGILCDAYVPD-PXLXIMEGSA-N 380.469 3.886 30 40 GHEB O=C(NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F)c1cccnc1 2257321 VVCUUGKVEKPLEY-UHFFFAOYSA-N 381.251 3.884 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 4082810 WPQMZZXIPRONLR-RKSXXNKWSA-N 389.536 3.576 30 40 GHEB biogenic COc1ccc([C@@H]2C(C(C)=O)=C(O)[C@](O)(CC(C)=O)N2c2ccc(C)cc2)cc1 5285908 DUFCKHOZQAMOGV-FYYLOGMGSA-N 395.455 3.634 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1OC 5408730 AOOLTRUXWPOPRH-KRWDZBQOSA-N 387.819 3.565 30 40 GHEB O=[N+]([O-])c1ccc(N2CCCCC2)cc1/C=N/NC(=S)NCc1ccccc1 5899689 MGDKSGZTRBPTIO-PXLXIMEGSA-N 397.504 3.583 30 40 GHEB CCN1C/C(=C/c2cc(C#N)n(C)c2C)c2nc3ccccc3c(C(=O)O)c2C1 6510507 XUUFBMNRSAPPJX-SXGWCWSVSA-N 386.455 3.828 30 40 GHEB COc1cccc(-c2nc(/C=N/N3C(=O)NC4(CCC(C)CC4)C3=O)cs2)c1 7786401 TZASQYGMOXOJES-SRZZPIQSSA-N 398.488 3.653 30 40 GHEB C#CCOc1ccc(C[C@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 8117204 LOULRKPPFPDDGP-LJQANCHMSA-N 397.521 3.679 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1cccs1 8997699 LCNRFKSFQDCEPD-GOSISDBHSA-N 376.437 3.922 30 40 GHEB C=CCOc1ccc(Cl)cc1C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 12228486 COKQQYYCRIDPNQ-UHFFFAOYSA-N 397.866 3.591 30 40 GHEB O=C1ON=C(c2ccc(Br)cc2)/C1=C/C1=COc2ccccc2O1 12360075 YFIIQBXECYPDCS-ZROIWOOFSA-N 384.185 3.949 30 40 GHEB Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 12418538 KPIZWSHDNFJZCN-FMIVXFBMSA-N 398.466 3.988 30 40 GHEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O 13881614 VPADJYZMTROALZ-PDGQHHTCSA-N 394.452 3.550 30 40 GHEB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 20197128 NGBZFXFUJRRPAG-UHFFFAOYSA-N 378.457 3.825 30 40 GHEB COc1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 23138936 SIVOXPRYVMCYER-OAHLLOKOSA-N 384.486 3.614 30 40 GHEB CCOC(=O)[C@@H]1CCCN(c2nc(SC)nc(-c3ccccc3)c2C#N)C1 31773893 LAGHZPMUAVFMSU-OAHLLOKOSA-N 382.489 3.517 30 40 GHEB COC(=O)c1cccc2[nH]cc(C[C@H](C#N)C(=O)NCc3ccccc3Cl)c12 61718967 PYKOJVAPDYAGOA-CQSZACIVSA-N 395.846 3.607 30 40 GHEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C3/C(=O)Nc4ccccc43)S1)C2 101164917 OAVDCIKHNKFDAA-VJWKEWQSSA-N 394.500 3.771 30 40 GHEB COc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1NC(=O)c1ccco1 102417363 LVFIWGPIQQVKIK-RGVLZGJSSA-N 381.344 3.905 30 40 GHEB O=C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225645344 UVMUYCQDYVHVMJ-BZUAXINKSA-N 399.693 3.857 30 40 GHEB CCCCNC(=O)c1csc(Nc2cccc([C@H]3CCCN(CC#N)C3)n2)n1 585293121 CTBCSCICBROZHP-HNNXBMFYSA-N 398.536 3.515 30 40 GHEB CC1CC(n2nnc3c2CN(c2c(C#N)cnc4c(F)ccc(F)c24)CC3)C1 601235661 WHOUUUBWAQDQNU-UHFFFAOYSA-N 380.402 3.510 30 40 GHEB N#Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 47262027 XQQSYVXEEJILNS-UHFFFAOYSA-N 399.292 3.566 30 40 GHEB N#Cc1ccc(OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 25282952 DLCYEMOZTRTMCM-UHFFFAOYSA-N 375.350 3.794 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2c(F)cccc2F)sc2c1CCCCC2 3320801 NVRQPFQVEXOXOZ-UHFFFAOYSA-N 390.411 3.962 30 40 GHEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)C(=O)N1C 59104841 DSEXRKMXVRXQOH-HVEIJDALSA-N 383.473 3.551 30 40 GHEB O=C1N/C(=N/N=C/c2ccncc2)S[C@H]1Cc1ccc(SC(F)F)cc1 6058600 GVWFQBZNUXXIBI-MNUWJXFPSA-N 392.456 3.561 30 40 GHEB COc1ccc(NC(=O)[C@@H](C)O/N=C/c2ccc(OC)c(OC)c2)cc1Cl 15392104 XHWOFAGBFLNFOW-KIHMUJGBSA-N 392.839 3.744 30 40 GHEB Cc1ccc2nc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[nH]c2c1 553473619 NPOJQAVHZTWMLJ-UHFFFAOYSA-N 377.423 3.737 30 40 GHEB C=CCc1cc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)ccc1OC 218660415 BGDJRSQAIULINW-UHFFFAOYSA-N 393.443 3.755 30 40 GHEB Cc1ccc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc1 569851609 QEOCHQMBKXTJIF-UHFFFAOYSA-N 382.895 3.838 30 40 GHEB N#CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 13678540 UBOVOTUXHUNIJA-UHFFFAOYSA-N 397.481 3.867 30 40 GHEB N#Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)cc1 5702543 JWJRMUVOZQEILQ-UHFFFAOYSA-N 387.530 3.810 30 40 GHEB CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccc(OC)cc2)cc1)C(F)(F)F 2300558 PPTGUPXOIMLBCI-KCDOPAPYSA-N 381.350 3.759 30 40 GHEB O=S(=O)(N/N=C/c1cccc2ccccc12)c1ccc(Br)cc1 3350496 QORIWQQTYVVXNV-XDHOZWIPSA-N 389.274 3.915 30 40 GHEB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 5015844 FVUYCDYUYZXTRJ-UHFFFAOYSA-N 387.374 3.692 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)no1 5800504 KRFDEAXWCHZGTH-GOSISDBHSA-N 378.359 3.905 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 7777313 GLPQZKGLMQFMEZ-OAHLLOKOSA-N 388.876 3.946 30 40 GHEB COc1cc(/C=N/n2c(C)n[nH]c2=S)c([N+](=O)[O-])cc1OCc1ccccc1 17649485 XYGFQVKOLDELDU-VXLYETTFSA-N 399.432 3.627 30 40 GHEB C=CCc1ccc(OCCn2c(CN(C)C(C)=O)nc3ccccc32)c(OC)c1 31903384 KKRZEJZYJGWXCX-UHFFFAOYSA-N 393.487 3.831 30 40 GHEB N#Cc1nc(-c2ccc(Cl)cc2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32124289 AJJSEXYYIIRLHN-HIFRSBDPSA-N 392.846 3.652 30 40 GHEB biogenic Cc1sc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C#N)c1C 32986045 VUILIQLRNMWPGD-KRWDZBQOSA-N 395.484 3.886 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2ccccc2c1=O 105921998 VLJKYMNQIYCEPP-XHSDSOJGSA-N 385.533 3.568 30 40 GHEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 218245102 UVMUYCQDYVHVMJ-OWCLPIDISA-N 399.693 3.857 30 40 GHEB C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226278986 XMHJEQJYEJQCQB-CYBMUJFWSA-N 384.398 3.933 30 40 GHEB COc1ccc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)cc2c1 915340 MKCAIUHFONKQAG-UHFFFAOYSA-N 377.469 3.832 30 40 GHEB CCOc1ccc(Nc2oc(/C=C3/SC(=S)N(C)C3=O)nc2C#N)cc1 1085246 KPKHVBYEBKGTOF-MDWZMJQESA-N 386.458 3.520 30 40 GHEB COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)o2)cc1 3610357 JXSCZTPLBJNUGG-UHFFFAOYSA-N 394.456 3.784 30 40 GHEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OC 4611335 GTVSWZJKLOFLEP-YBEGLDIGSA-N 394.383 3.821 30 40 GHEB C=CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccccc1OC 5131373 YCFKYZHKGJDJFK-OAHLLOKOSA-N 386.521 3.633 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)cc1OC 12221377 MWKUQSITOWDGNY-MRXNPFEDSA-N 392.459 3.551 30 40 GHEB C=CCn1c([C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 12539158 JQGORIIUPUMSLR-CQSZACIVSA-N 395.459 3.739 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1 13482363 AUTHIGPVRCOTLD-YIILKADPSA-N 392.455 3.926 30 40 GHEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15996115 PIOOFMCNGNKFNN-WZYRSQIMSA-N 391.430 3.879 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)n1 26014198 PCAFKRDNKPFITA-SFHVURJKSA-N 394.544 3.568 30 40 GHEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1OC 48492617 CNOTTWJDQLFNDX-NEPJUHHUSA-N 395.399 3.718 30 40 GHEB C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2C)cc(OC)c1OCC(=O)O 59678480 NPYRKACWGCLZNL-FSJBWODESA-N 397.427 3.733 30 40 GHEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027891 GDUOUALZEKYSJZ-UHFFFAOYSA-N 382.825 3.638 30 40 GHEB C#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC 409033640 FWUIPWXRSWAGCF-AQHIEDMUSA-N 386.267 3.811 30 40 GHEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 1378524 SBOSMJHVWSRGAE-IBGZPJMESA-N 398.532 3.665 30 40 GHEB C#CCOc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1 6295385 BHUFODVNAASUOW-LJQANCHMSA-N 381.522 3.713 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 12516987 NRPLRHVILUWXDX-LBPRGKRZSA-N 388.562 3.691 30 40 GHEB C=CC/N=C1\S[C@H](c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1 100894496 JXKBSMIIYDEHQT-FTHOYRMOSA-N 386.498 3.542 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)c1C#N 10711574 QCZVXGRHONVJLZ-LBPRGKRZSA-N 381.457 3.737 30 40 GHEB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC#N 106695727 ZHGRLIDSJQOIHK-WQRHYEAKSA-N 398.415 3.973 30 40 GHEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 4331432 VERFOJHXKWUGDK-CQSZACIVSA-N 381.505 3.766 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Br)s1 18196012 ZPZOLSHXMYILAC-CYBMUJFWSA-N 379.283 3.760 30 40 GHEB O=C1/C(=C\c2ccncc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 8992623 DRSCEGYRAFYPRJ-XMHGGMMESA-N 376.437 3.510 30 40 GHEB COc1ccc(C)cc1/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408771740 BZGDEVFGSFKAIG-FYJGNVAPSA-N 384.457 3.826 30 40 GHEB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 408749842 JLBXXQPIEZASIE-YVNNLAQVSA-N 393.403 3.850 30 40 GHEB COc1cc([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(C)C 32831163 RTXMSYOERCQBLK-OAHLLOKOSA-N 388.489 3.641 30 40 GHEB N#C[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 35848438 RLWFGRFNTJCAKV-RDGPPVDQSA-N 393.805 3.518 30 40 GHEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953779 ZJIQIDXKDPVEBM-UHFFFAOYSA-N 397.880 3.747 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccccc1 224679057 RWHDYABKSHVJKT-UHFFFAOYSA-N 379.865 3.898 30 40 GHEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)cc1 4511189 VBAGUFHYLCJWCL-FYJGNVAPSA-N 380.429 3.853 30 40 GHEB Cc1cc(O)c2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 11865213 SJAZSQOXSUAALB-UUASQNMZSA-N 389.201 3.946 30 40 GHEB O=C1C(=O)N(c2ccccn2)[C@@H](c2cccnc2)/C1=C(\O)c1ccc(Cl)cc1 102649432 PVGMBBAUNWHESG-GHNGSUTGSA-N 391.814 3.756 30 40 GHEB COc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc(OC)c1OC 2249244 PMTFBQGXUCBLME-MHWRWJLKSA-N 388.420 3.743 30 40 GHEB CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 2397422 DZRXAOCMVQHUMI-JHAVZTMOSA-N 392.488 3.639 30 40 GHEB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(/N=C(\O)COc3ccccc3)nc2N1 2400888 YLIBQVXRBYBFLN-OAHLLOKOSA-N 397.822 3.530 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4679862 LWFDYGDSYZJJJL-NVMNQCDNSA-N 389.824 3.686 30 40 GHEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(N2CCOCC2)cc1 4687785 OUPJRZHDURTCKL-AQTBWJFISA-N 383.448 3.554 30 40 GHEB N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccccc1 12680521 HVIZGNBGJZXAGZ-UHFFFAOYSA-N 382.420 3.915 30 40 GHEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 13596283 HXHABZZNRCROAT-CYWCXPBMSA-N 382.445 3.757 30 40 GHEB N#Cc1c(COC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cn2ccccc12 48288111 WKMGQWADVCYPOT-UHFFFAOYSA-N 393.830 3.948 30 40 GHEB O=C1COc2ccc(C(=O)/C=C/c3ccccc3OCc3cccnc3)cc2N1 58391895 WPERKSQGLHDOQN-VQHVLOKHSA-N 386.407 3.888 30 40 GHEB COc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409071334 JILJLECFEQPVMN-CAOOACKPSA-N 376.217 3.578 30 40 GHEB C#CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)ON=C1C 409088701 GOGNISQSZNFJLU-WDZFZDKYSA-N 399.038 3.540 30 40 GHEB COc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409229691 SXXJIWRSMMOJAY-DEDYPNTBSA-N 399.407 3.948 30 40 GHEB C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)NC1CCCCC1 2746368 YLZQBVYIYUKLCE-ZDUSSCGKSA-N 382.489 3.650 30 40 GHEB COc1ccc(/N=N/c2c(N)nn3c(N)c(C#N)c(-c4ccccc4)nc23)cc1 4419221 BHFOASGTWRSOAD-OCEACIFDSA-N 384.403 3.856 30 40 GHEB COc1cccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1OC 7712701 YKJWOTKVDZDFEK-JLHYYAGUSA-N 395.455 3.601 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(O)c1 8022607 GZQHPGGIAVYCEM-HXUWFJFHSA-N 395.455 3.786 30 40 GHEB Cc1c(C#N)c(NC(=O)COc2ccccc2Cl)n(C[C@@H]2CCCO2)c1C 8527794 BNQGGOQFSUROJR-HNNXBMFYSA-N 387.867 3.827 30 40 GHEB C=CCN1C(=O)/C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)SC1=S 15226402 LNFGBADVCMSMFY-NTEUORMPSA-N 382.470 3.986 30 40 GHEB Cc1ccccc1[C@H](C)NC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N 17188185 SVTWSPUFNJTFSV-HNNXBMFYSA-N 391.427 3.593 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 20006450 WBQGLWFCBKKBHJ-ZDUSSCGKSA-N 377.400 3.513 30 40 GHEB Cc1cc(NCc2ccc(-n3cccn3)nc2)n2c(nc3ccccc32)c1C#N 25251964 JPGICPLBZPIZPJ-UHFFFAOYSA-N 379.427 3.860 30 40 GHEB CN1/C(=C\C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)c2ccccc21 35529205 KCHZETSJYCMBSR-UNOMPAQXSA-N 380.400 3.632 30 40 GHEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1cc(C)on1 44085755 RGCGUODNOCXBHW-UHFFFAOYSA-N 399.432 3.672 30 40 GHEB Cc1cc([C@@H](C#N)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)nc(C)n1 97001606 SACBUYJTHBXSRT-CYBMUJFWSA-N 387.321 3.652 30 40 GHEB C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(Cl)c21 100910182 RIMYHNBIDNKELN-XDOYNYLZSA-N 394.839 3.837 30 40 GHEB COc1ccc(OCc2nc(SCc3ccc(F)cc3)nc(N)c2C#N)cc1 223695226 FFSMJJRMAVBGRY-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB C[C@@H](Oc1ccc(/C=N\c2ccc(I)cc2)cc1)C(=O)O 408854204 ZPLQBLCMTIBDOS-IPHDDYSGSA-N 395.196 3.894 30 40 GHEB COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc([N+](=O)[O-])c1O 408965748 LTNRXCVOIQKLKO-OQLLNIDSSA-N 385.401 3.509 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 105410477 VGGZQNVGFUANKB-WEJKZJQNSA-N 386.451 3.797 30 40 GHEB COc1ccc(/C=N/OCC(=O)NCc2ccco2)cc1OCc1ccccc1 9452691 HJOJOQKGRHYMJV-ZMOGYAJESA-N 394.427 3.534 30 40 GHEB Cc1ccc(OCc2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 54061540 YWTWENTVPGMMIL-UHFFFAOYSA-N 388.471 3.756 30 40 GHEB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 12742826 GTPYAPLDQSUZRK-UHFFFAOYSA-N 396.493 3.907 30 40 GHEB CC(=O)Nc1cccc(C(=O)/C=C/c2c(C)nn3c(C(F)(F)F)ccnc23)c1 13004063 JKMLMXWGOBYLBA-VOTSOKGWSA-N 388.349 3.911 30 40 GHEB CC1=C/C(=N\Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 4865463 OLWYORZOZLHCSU-CYVLTUHYSA-N 386.433 3.904 30 40 GHEB C=CCn1c(SCCN2C[C@@H]3CC[C@H](C2)O3)nnc1-c1ccc(Cl)cc1 95460210 CNPJIFWEBVOIHC-CALCHBBNSA-N 390.940 3.740 30 40 GHEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408719574 WXRPQEREGZQUCX-GOSISDBHSA-N 397.412 3.704 30 40 GHEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 218426758 OCDWQEYIJOLGSI-FHWLQOOXSA-N 375.877 3.745 30 40 GHEB COc1cc([C@H]2C(C(C)=O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O 5663567 ZISXMEHFVLOADF-HXUWFJFHSA-N 384.384 3.525 30 40 GHEB O=C1/C(=N\Nc2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccccc1 12625485 LCZVHNJDPCUOOX-FLFQWRMESA-N 384.395 3.634 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)o1 12970214 LVBNLLFDZGVVEZ-MRXNPFEDSA-N 395.802 3.814 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 59204604 XLBJANHJIMHWPK-KRWDZBQOSA-N 390.823 3.779 30 40 GHEB OC1=Nc2cc3c(cc2/C1=N\Nc1ccc(OC(F)(F)F)cc1)OCCO3 54295417 DYNUQAUBMIAQAA-UHFFFAOYSA-N 379.294 3.774 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OC)c(O)c2)C1=O 1176362 JPQILKKBPBXRTK-SFQUDFHCSA-N 397.452 3.944 30 40 GHEB COC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2096552 WTJXADHVECEBTL-UHFFFAOYSA-N 397.193 3.880 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1cccnc1 11188144 SEGURBMNCLCZAW-UHFFFAOYSA-N 387.415 3.535 30 40 GHEB C=CCn1c(C)cc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c1C 9448444 LOMPXFVELGAWRA-QGZVFWFLSA-N 379.460 3.639 30 40 GHEB N#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 7729047 LIUCUELZFCMYRP-UHFFFAOYSA-N 392.362 3.564 30 40 GHEB C=CCn1c(SCCC(=O)OC)nc2scc(-c3ccco3)c2c1=O 9722131 WIOZEFKPUXMFQZ-UHFFFAOYSA-N 376.459 3.559 30 40 GHEB CN(C)c1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409129734 SHDGOELGYMACJG-WJDWOHSUSA-N 385.876 3.806 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015712 AWJIQPAJZOVOAN-UHFFFAOYSA-N 397.796 3.538 30 40 GHEB N#C[C@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242425578 BPGVBKPHFQTEDA-ZACQAIPSSA-N 380.252 3.642 30 40 GHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)c(O)nc12 16977288 HSDNTQVKHHCNKZ-DOPUNYGQSA-N 380.448 3.664 30 40 GHEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)c1 1775972590 LZENQFXXPPRJGV-QGZVFWFLSA-N 384.867 3.607 30 40 GHEB Cc1ccc(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1C 10331781 HLFGYVNBLAHPMX-UHFFFAOYSA-N 399.516 3.554 30 40 GHEB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2C#N)cc1 12552688 DEJUBKYUXMPLRI-UHFFFAOYSA-N 391.452 3.920 30 40 GHEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cc(C)ccc21 32105399 WGKUCANZHDUBHT-XMMPIXPASA-N 396.450 3.747 30 40 GHEB C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 32910239 NAWSIYVGDMPBMH-HNNXBMFYSA-N 380.488 3.845 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)Cc1cccc(Cl)c1 40113004 XKWPGZVOZXRSCT-CYBMUJFWSA-N 395.894 3.551 30 40 GHEB CCCN/C(CCC)=C1/C(=O)C[C@@H](C[C@@H](C)SCC)[C@@H](C(=O)OCC)C1=O 103217360 SDEDOURAMKIHON-HRPTXTOOSA-N 397.581 3.909 30 40 GHEB CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC 299888358 GMAUQNJOSOMMHI-UHFFFAOYSA-N 399.538 3.770 30 40 GHEB COc1ccc(C/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408851672 MDSRZGWQWKVAEV-UNOMPAQXSA-N 379.254 3.506 30 40 GHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1 409286832 ZVZZZARPMOCACS-UHFFFAOYSA-N 386.249 3.870 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1OCc1ccc(F)cc1 409402705 FWOKRKWNHBUMCP-SNHGZMDHSA-N 390.414 3.546 30 40 GHEB C=CCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 2227318 RPLBVGUSVLURJU-UHFFFAOYSA-N 388.427 3.897 30 40 GHEB COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O 14020267 GBJFFSKKOAJBQI-AATRIKPKSA-N 378.808 3.976 30 40 GHEB C#CCN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2OC)C1=O 6640987 XGUNTLNXEYMKFP-WDZFZDKYSA-N 386.654 3.781 30 40 GHEB C=CCOc1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 5827924 ZGQNAIKWFWHXBP-KNTRCKAVSA-N 389.455 3.527 30 40 GHEB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3ccc(C#N)cc3)cc2)cc1 16726144 SOLPAESSBFZVRJ-UHFFFAOYSA-N 392.436 3.951 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 19138253 ZAAZUADPYCWTFD-SFHVURJKSA-N 378.384 3.668 30 40 GHEB COc1ccc(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cn1 408814815 HUJMVMQFHAVVBB-YVNNLAQVSA-N 393.399 3.645 30 40 GHEB CC/C(=N\OC/C=C/Cl)C1=C(O)C[C@H](C[C@H](C)[S@@](=O)CC)CC1=O 71973610 UABMGBLIZYILDD-FASLOSSKSA-N 375.918 3.860 30 40 GHEB in-vitro C=CCc1ccccc1OC[C@@H](S)CN1CCN(c2ccccc2OC)CC1 95532728 NKXANEQIIPDPNV-FQEVSTJZSA-N 398.572 3.923 30 40 GHEB COC(=O)c1c(-c2ccccc2)nsc1/C(=C/N(C)C)C(=O)C(F)(F)F 96319549 IATHJTGBJNPKOB-LUAWRHEFSA-N 384.379 3.631 30 40 GHEB N#Cc1cccc(CS(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)c1 97252329 OFSLGHKJPUTHBI-UHFFFAOYSA-N 392.436 3.719 30 40 GHEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252516680 VXGJUNFHEJWHKQ-KCZVDYSFSA-N 397.496 3.570 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccccc2I)SC1=S 17163328 XCZDNDBRRKNIQW-DHZHZOJOSA-N 387.267 3.678 30 40 GHEB C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccncc1 7087107 DZZYCQNDVGBETA-GOSISDBHSA-N 391.500 3.638 30 40 GHEB CN1/C(=C\C(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)(C)c2ccccc21 32666450 RKZMWYJVJORSBW-YVLHZVERSA-N 376.378 3.748 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc2ccccc12 102708504 ONDDUOYRYXMRLM-LFVOPCPISA-N 377.396 3.501 30 40 GHEB CN1/C(=C/c2ccc3cccc(Cl)c3n2)C(=O)c2ccccc2S1(=O)=O 8993499 IQNYQVVXMQCXPV-LFIBNONCSA-N 384.844 3.746 30 40 GHEB N#Cc1ccc(CNC(=O)CCc2ccc(Br)cc2F)c(F)c1 72275790 MVMNIWGCLFGWMP-UHFFFAOYSA-N 379.204 3.848 30 40 GHEB COc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc1 101317179 MEBCBUMWMBEBLY-UHFFFAOYSA-N 387.439 3.755 30 40 GHEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)no1 102798426 MIIDUAIAIFTZKH-GHNGSUTGSA-N 396.349 3.888 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1 102803738 MPNFVUVLNTZNDT-IBOXJLQUSA-N 395.415 3.612 30 40 GHEB FC(F)(F)Cn1ccc(/C=N/Nc2nc(C3CC3)cc(C(F)(F)F)n2)n1 225391401 JENOYGUHNJAHDB-AERZKKPOSA-N 378.280 3.578 30 40 GHEB CCOc1ccc(/C=N\Nc2nc(C)cc(C)n2)cc1I 408904058 DAUJMRGYXLHKCM-MFOYZWKCSA-N 396.232 3.543 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)nc1 6276540 VXEJVYCGRIHSML-LSHDLFTRSA-N 392.371 3.744 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 6549758 WNCFYNPGPMGOLT-JLTOFOAXSA-N 383.521 3.680 30 40 GHEB N#CCSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 8518792 NUMPJQAWDOCHFH-UHFFFAOYSA-N 381.486 3.818 30 40 GHEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@@H]3[C@@H](C)C=C(C)C[C@@H]3C)c(O)nc12 16977294 HSDNTQVKHHCNKZ-ZHVQJHEJSA-N 380.448 3.664 30 40 GHEB COc1cc(NC(=O)C2(C#N)CCCC2)c(OC)cc1NC(=O)c1ccccc1 20962272 MLAXGNHQVMGBKZ-UHFFFAOYSA-N 393.443 3.979 30 40 GHEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 33928247 HEQLQHNMWPJCQT-HTIXJGPSSA-N 397.500 3.948 30 40 GHEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 97456580 BAUGTWJHVJOLSL-YBLIXAOFSA-N 398.440 3.636 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 101231697 RUWDGELFGRJYES-SELCWUDQSA-N 378.384 3.511 30 40 GHEB C=CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccccc12 104787029 MQTPOMKPNGSBKO-WFXMLNOXSA-N 380.469 3.576 30 40 GHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020494 ZUGMARIOLSNZHH-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB N#Cc1ccc(C2(NC(=O)Nc3nc4ccccc4s3)CCOCC2)cc1 528859177 XVWMJQNONKWAMV-UHFFFAOYSA-N 378.457 3.995 30 40 GHEB COc1cccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)c1 933875 ZCKISZZKBDUICA-UHFFFAOYSA-N 379.441 3.854 30 40 GHEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccccc1C(F)(F)F 1393105 ADFIWHZBXUHYCI-XDHOZWIPSA-N 389.376 3.505 30 40 GHEB CCSC1=N[C@H](c2ccc(NC(C)=O)cc2)[C@]2(C#N)C(N)=NC(SCC)=C12 4727228 XEJJXOARHAGLFI-DNVCBOLYSA-N 399.545 3.697 30 40 GHEB COc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1OC 5149882 YLDDFDVWKVWWAF-UHFFFAOYSA-N 390.443 3.557 30 40 GHEB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 5414161 VTRPKLRLZVMYBQ-UHFFFAOYSA-N 398.879 3.535 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)cc1OC 5444135 XBLNGZSRZBMIEH-FQEVSTJZSA-N 395.455 3.938 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(C(=O)OCC)CC4)[C@H]3C[C@H]12 12659913 DMLONNLDGVEKRB-ZJQTUCFNSA-N 389.536 3.576 30 40 GHEB biogenic Cn1/c(=N/N=C/c2ccccc2I)sc2ccccc21 13063149 OMOGJLWJCVJLTR-JWEBSOCCSA-N 393.253 3.779 30 40 GHEB C=CCN(c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1)S(C)(=O)=O 20461010 ULACHQQMJJQCCY-UHFFFAOYSA-N 392.908 3.564 30 40 GHEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)N1CCOCC1 27795061 FOPYZHOAISIJIJ-QGZVFWFLSA-N 398.850 3.945 30 40 GHEB C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 32910238 NAWSIYVGDMPBMH-OAHLLOKOSA-N 380.488 3.845 30 40 GHEB Cc1cccc2sc(NC(=O)c3sc4nc(N)c(C#N)cc4c3N)nc12 39398408 KNNWHVKYPZVOBN-UHFFFAOYSA-N 380.458 3.503 30 40 GHEB C#CCN(Cc1ccco1)C(=O)Nc1ccc(-n2nncc2C(F)(F)F)cc1 72230614 HVOZROATMYZJPW-UHFFFAOYSA-N 389.337 3.546 30 40 GHEB Cc1ccc2c(c1)/C(=N/Nc1nc3ccccc3s1)C(=O)N2C1CSC1 223722639 BWGAWACSLARZKK-FXBPSFAMSA-N 380.498 3.883 30 40 GHEB C=CCN(c1ccc(C(=O)NC(C)(C)CC)cc1)S(=O)(=O)c1ccccc1 224378240 CXNKSQXPVMGCPQ-UHFFFAOYSA-N 386.517 3.986 30 40 GHEB C=CCN(Cc1ccc(C(=O)N[C@@H](C)CC)cc1)S(=O)(=O)c1ccccc1 224467538 BAZIBJRTJCBYLE-KRWDZBQOSA-N 386.517 3.592 30 40 GHEB CCOC(=O)Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 408931920 SCHQOIHERKPCJI-BUVRLJJBSA-N 391.471 3.792 30 40 GHEB N#Cc1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1F 582652655 GDHLRXDCPUKPFM-FQEVSTJZSA-N 379.435 3.761 30 40 GHEB COc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C#N)cc2c1 1354590 ZWSATVITEYBFLW-UHFFFAOYSA-N 393.424 3.575 30 40 GHEB CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1[N+](=O)[O-] 4476815 HOEWXSYINAJTRI-SJAGGWKPSA-N 396.443 3.848 30 40 GHEB CN(C)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 4506106 LKNKEXIICWDTOL-UHFFFAOYSA-N 397.500 3.750 30 40 GHEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3cc(Cl)ccc3C)C(=O)NC2=S)cc1 4738576 UKXHZGGKACXLLU-RSFOSLOZSA-N 399.903 3.977 30 40 GHEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5576806 TWDRJPSIGWDSKC-WOOAAIBNSA-N 398.890 3.713 30 40 GHEB N#Cc1ccc(-c2cccnc2)nc1SCCCn1c(=O)[nH]c2ccccc21 5660801 SQTDDVGVKIYDDH-UHFFFAOYSA-N 387.468 3.841 30 40 GHEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/Nc1cccc(C(=O)O)c1 6673820 QEILMBMZDAXUML-HZHRSRAPSA-N 389.459 3.925 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)c1C#N 12574380 UOSAJBSIAYAVCZ-SFHVURJKSA-N 395.484 3.539 30 40 GHEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccco2)s1 13690578 XKDFFXHUNXBKDA-CYBMUJFWSA-N 385.401 3.630 30 40 GHEB CC(C)C(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)cc1F 20849328 KSRXMZJFVIWDCF-CLCOLTQESA-N 386.354 3.978 30 40 GHEB C/C(=N\OCC(=O)N[C@H]1CCCC[C@H]1C)c1nc2ccccc2n1C(F)F 22200686 JLPYTQIWROQDPN-MMQIRJRBSA-N 378.423 3.867 30 40 GHEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 35031563 FEACBXQMCWENHN-GUDVDZBRSA-N 377.598 3.733 30 40 GHEB CCCCCCCN(CC)C(=O)CC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 77301605 AJYZQCZASWLBGI-LJQANCHMSA-N 398.569 3.691 30 40 GHEB in-vitro C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cccc(F)c21 100877832 PZGVZHDQZXIQEH-JZJYNLBNSA-N 389.249 3.979 30 40 GHEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccc(C)cc1C 223735216 IZKHWEXZWSTVJP-ATJXCDBQSA-N 397.500 3.599 30 40 GHEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1cccc2ccccc12 408533628 KJGRIKYNSJHQRS-HNNXBMFYSA-N 375.359 3.580 30 40 GHEB COc1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 409100643 RCWSUIUZIFMNNG-IFRROFPPSA-N 383.282 3.797 30 40 GHEB N#Cc1nc(-c2ccc(F)cc2)oc1NC[C@@H](c1cccs1)N1CCOCC1 27794219 BSMPPQZYRSVZEE-KRWDZBQOSA-N 398.463 3.899 30 40 GHEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2264988 KXWOVMUTOHVVMT-KRWDZBQOSA-N 396.491 3.587 30 40 GHEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)cc1 59678401 YZVWYYQICBALQM-FDIDITGRSA-N 396.468 3.993 30 40 GHEB N#Cc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12929556 PABYORHHDQITNV-INIZCTEOSA-N 377.469 3.953 30 40 GHEB O=C(C[C@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc2ccccc2c1 12995499 KTFZVVOAPACQGP-QGZVFWFLSA-N 379.441 3.549 30 40 GHEB CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3O)NC2=O)cc1 6592964 JXDGRBMZFUNUIN-VZMFNRANSA-N 381.501 3.899 30 40 GHEB C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)C(=O)O 9420135 BNHKRLIBWBLXOX-SYEOYNTFSA-N 389.201 3.917 30 40 GHEB CC(C)n1nccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 7004425 UVERTHXHNQWOMX-UHFFFAOYSA-N 380.473 3.731 30 40 GHEB C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 7787352 NJAJYCSLIGQIKG-UHFFFAOYSA-N 391.301 3.772 30 40 GHEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S1 28605554 QLIASVQTARRCSC-APSNUPSMSA-N 383.385 3.524 30 40 GHEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccccc1Cl 408740927 JEGHFOWAMCUOHQ-AHURVMIPSA-N 392.267 3.760 30 40 GHEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3ccoc3)[C@@H]2c2ccco2)s1 32609561 RWGFJJYOPCBMKQ-ZDUSSCGKSA-N 385.401 3.630 30 40 GHEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)c1 1204224114 QRMPXKDLKVTFQE-HSZRJFAPSA-N 397.469 3.955 30 40 GHEB N#Cc1ncn(-c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)n1 22316174 OQTJQERULCZCNK-UHFFFAOYSA-N 381.424 3.873 30 40 GHEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1O 1245615 JMLJCNJSFRGDSW-ZVHZXABRSA-N 385.423 3.872 30 40 GHEB N#CCCNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 4221089 XQTHYGDRTBDRAM-UHFFFAOYSA-N 384.892 3.860 30 40 GHEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccc([N+](=O)[O-])cc1 8227674 RMRCSKPZLDJLIP-VXLYETTFSA-N 399.432 3.627 30 40 GHEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccs1 12272200 XFNCCUNOJLPICJ-OAQYLSRUSA-N 391.496 3.763 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 13003338 LTCVPXOIKNBJSF-HXUWFJFHSA-N 395.455 3.618 30 40 GHEB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1cccc(C#N)c1 28682364 QCQNWMXCOHHNRL-NSHDSACASA-N 379.470 3.935 30 40 GHEB O=C1CN(C(=O)CNc2cccc(C#Cc3cccs3)c2)c2ccccc2N1 29941006 PHBYQIXRWFHJBI-UHFFFAOYSA-N 387.464 3.545 30 40 GHEB C/C(=N\OCC(=O)N1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCO2 32366540 GHYPPCWVPMIRQP-XQNSMLJCSA-N 380.444 3.562 30 40 GHEB COC(=O)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 59426304 KEOKVKJTSYVJLP-CAOOACKPSA-N 379.166 3.600 30 40 GHEB COC(=O)COc1ccc(C(=O)/C=C/c2nc3cc(Cl)ccc3n2C)cc1 84311091 PZXJNRUHLLRWLF-MDZDMXLPSA-N 384.819 3.675 30 40 GHEB CCCc1ccc(C#N)c(S[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)n1 100587648 YLENZCFTHVOHOB-GOSISDBHSA-N 395.484 3.729 30 40 GHEB CCCN/C(CCC)=C1/C(=O)C[C@H](C[C@H](C)SCC)[C@@H](C(=O)OCC)C1=O 198729319 SDEDOURAMKIHON-CXEGRCIGSA-N 397.581 3.909 30 40 GHEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccccc3)n2)cc1 223665280 APMYACUGMQXTAL-UHFFFAOYSA-N 390.468 3.600 30 40 GHEB C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 224694884 MQVLVDAKBLYPDE-UHFFFAOYSA-N 379.865 3.816 30 40 GHEB CCOC[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515729 NAJCPNJCFQUMKQ-IPMKNSEASA-N 375.877 3.826 30 40 GHEB O=C(Cn1cc(/C=N\c2ccccc2Cl)c2ccccc21)N1CCOCC1 408963305 YYXQYLGLAMAZCS-QRVIBDJDSA-N 381.863 3.904 30 40 GHEB N#Cc1cnc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c(Cl)c1 1776009734 PAJFUJJXHWNUPK-STQMWFEESA-N 392.688 3.938 30 40 GHEB CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 1087983 VPEGXXRVCZUOFG-KRWDZBQOSA-N 383.521 3.724 30 40 GHEB N#Cc1c(/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 4982068 FISDKJDTRLRJGM-XKZIYDEJSA-N 396.472 3.994 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 12062912 YMCXQLGEMJSTEO-HXUWFJFHSA-N 391.423 3.850 30 40 GHEB COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Cc1ccccc1 16729745 DEYDREKVYKEHRN-UHFFFAOYSA-N 378.453 3.958 30 40 GHEB N#Cc1c(CCCNc2nc(-c3ccsc3)nc3ccccc23)n[nH]c1N 22802407 UQLSQDHYAQUXQI-UHFFFAOYSA-N 375.461 3.580 30 40 GHEB Cc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 23010935 FOJGJSXPRGWXES-UHFFFAOYSA-N 383.373 3.981 30 40 GHEB CCOc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 100242836 VYMYDGKPHYIELZ-KUOTXRDYSA-N 382.460 3.510 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 100263856 USORJRHLNNXVIC-CYNURGJPSA-N 375.400 3.555 30 40 GHEB N#CCSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408750202 LLYWOACMSPPERY-UHFFFAOYSA-N 396.409 3.621 30 40 GHEB N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3COCc4ccccc43)CC2)c(F)c1 518737547 RDDAHDJIHOQMOA-HXUWFJFHSA-N 395.434 3.522 30 40 GHEB CC1(C(=O)NCCC2CSC2)CCN(c2ccc(Cl)cc2C#N)CC1 597788983 HHDMMGDMJXJQGI-UHFFFAOYSA-N 377.941 3.687 30 40 GHEB Cc1ccc(C)c2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc12 2087048836 MHJWBZPIYZTHTF-IRXDYDNUSA-N 375.501 3.752 30 40 GHEB N#Cc1cc(-n2nc(-c3ccccc3)c3ccccc3c2=O)c([N+](=O)[O-])cc1C#N 1092726 LGECWNOMCXSHHM-UHFFFAOYSA-N 393.362 3.704 30 40 GHEB CCOc1ccc2nc(SCC(=O)NCCc3ccccc3)c(C#N)cc2c1 1354819 YNCOJWGYSNOAKB-UHFFFAOYSA-N 391.496 3.956 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 2916837 KJUNSZPXAKEHHS-LJQANCHMSA-N 390.399 3.963 30 40 GHEB Cc1ccc(C)c(NC(=O)C[n+]2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)c1 3301988 LAYIMBBAUULQQB-UHFFFAOYSA-O 376.436 3.729 30 40 GHEB Clc1ccc(/C=N/Nc2nc(N3CCCC3)ncc2Br)cc1 5023488 VINBFDDLBXCPGY-DJKKODMXSA-N 380.677 3.939 30 40 GHEB Cc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C#N 9377214 LTLNCJCBOLRFFH-UHFFFAOYSA-N 377.469 3.938 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccncc1 10492075 ACIUEVLTFIKQLB-HRCADAONSA-N 385.537 3.796 30 40 GHEB COc1ccc(-c2nnc(CO/N=C/C(=O)Nc3ccccc3Cl)o2)cc1 14374872 TZOXGDUMUOMQFR-KEBDBYFISA-N 386.795 3.540 30 40 GHEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1OC 100765503 IUNVXCFPEZKXBQ-NHCUHLMSSA-N 395.474 3.861 30 40 GHEB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 100821604 PXMHJZZKNSWIAP-OAHLLOKOSA-N 397.500 3.788 30 40 GHEB CN1C(=O)C(=O)/C(=C(\O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 102797442 OUERWONKTUXTME-RIBQPWQFSA-N 390.208 3.640 30 40 GHEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCOCC1)C2=O 118917962 MBKCNWRXKQJVAT-BXEOAJGKSA-N 385.548 3.705 30 40 GHEB CC1(C)COB(c2cc(Br)ccc2OCc2ccccc2)OC1 169808010 RHSMOISSLIHEHA-UHFFFAOYSA-N 375.071 3.796 30 40 GHEB C=CCN(c1ccc(C(=O)NCc2cccc3ccccc23)cc1)S(C)(=O)=O 222848766 QNIWZORTLFKJGD-UHFFFAOYSA-N 394.496 3.722 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Cl)c(OCC#N)c(OC)c2)C(=O)N1CC 408849182 YFKHZPKTQMVMRB-DZIIMNARSA-N 379.869 3.563 30 40 GHEB COc1cc(/C=N/O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409047677 PRIYAFJWRZOBAK-DJKKODMXSA-N 393.237 3.592 30 40 GHEB Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1ccccc1 3542434 NUTOTVVOAVBECP-UHFFFAOYSA-N 377.473 3.521 30 40 GHEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 4837564 LBRBZPLTNHPZMG-YESZJQIVSA-N 379.508 3.636 30 40 GHEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1nc(-c2ccc3c(c2)OCO3)cs1 5001264 OHCLXPQNTMYTPF-JYRVWZFOSA-N 392.392 3.637 30 40 GHEB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N\O)c1 8369967 VDPBYKBWVDAVQK-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C(\C)c2csc3ccccc23)cc1 8612771 DVTTXSWBNRYRCX-UDWIEESQSA-N 387.486 3.562 30 40 GHEB CC/N=C(/S)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 13597777 WYYZCPZSVJVZAB-UHFFFAOYSA-N 379.507 3.522 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccccc1 18061673 RDFLPQQMDAZUEI-LJQANCHMSA-N 375.380 3.764 30 40 GHEB CN(Cc1cccc(C#N)c1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 25105873 RTOAHSZHPBQUPF-UHFFFAOYSA-N 376.456 3.800 30 40 GHEB N#Cc1cc2c(nc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)CCCC2 97164906 LEKJHBNECMQPQF-UHFFFAOYSA-N 395.406 3.793 30 40 GHEB COc1cc(/C=N/OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 107445455 HVIZQIDRAPSPDX-QNJIYAGISA-N 396.434 3.588 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccc(OCCC)c(OCC)c2)C(C(=O)OC)=C1C 408896772 ZXMGFLKSASAWPV-LGMDPLHJSA-N 385.460 3.733 30 40 GHEB O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(Cl)c(Cl)c1 1393072 LDUBZLAGBXGHOS-SFQUDFHCSA-N 390.269 3.793 30 40 GHEB C=C(C)CN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1 8395507 PCUNUHVWNSEIRY-UHFFFAOYSA-N 382.460 3.751 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 9691920 XGCLIBNMKUKUTQ-JLCFBVMHSA-N 381.476 3.504 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 30969725 SPNKEDCIOWRWAX-FUHWJXTLSA-N 384.549 3.842 30 40 GHEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1N1CCOCC1 33324461 ODKJOEZAYUUQBK-UHFFFAOYSA-N 385.807 3.875 30 40 GHEB COC(=O)c1ccc(N/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 91244435 RYHQZBZNNZIQMW-UHFFFAOYSA-N 393.440 3.701 30 40 GHEB COC(=O)c1ccc(/N=C/c2cnc(S(=O)(=O)c3ccccc3)s2)cc1 100280089 CBVKXLOLEPEJGK-YBFXNURJSA-N 386.454 3.513 30 40 GHEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)F 103542351 PHULMTATNVXQRF-UHFFFAOYSA-N 378.084 3.898 30 40 GHEB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 222568138 BLJARJCYKXNUML-UHFFFAOYSA-N 399.516 3.554 30 40 GHEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)s1 222814135 KSHWGBKIQLBEPN-UHFFFAOYSA-N 388.562 3.975 30 40 GHEB CC(C)(C)OC(=O)N1CCC(c2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 261509045 ZJQGEDBTXPLUMN-UHFFFAOYSA-N 394.346 3.557 30 40 GHEB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/n2cnnc2)c1Cl 408814196 RXOYPHORXYHGSO-QPSGOUHRSA-N 394.218 3.980 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408935175 HDUZGFOSPQYTRM-ATVHPVEESA-N 382.803 3.571 30 40 GHEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 408965067 GEOVGIHJAJJIIY-YDZHTSKRSA-N 395.484 3.695 30 40 GHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)[nH]c1C 409305697 WSQXEBZDQUAGBB-UHFFFAOYSA-N 387.281 3.939 30 40 GHEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1 409318338 UVYJAAWFJKQNJQ-LBPRGKRZSA-N 385.265 3.950 30 40 GHEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 585106967 MKGNMWCJSMVEDI-NRFANRHFSA-N 376.485 3.681 30 40 GHEB COc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1OC 1531382708 IDCADBZLITVRPT-BUVRLJJBSA-N 385.423 3.963 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 3098441 RVSQDUOWKDKKHJ-FQEVSTJZSA-N 383.444 3.727 30 40 GHEB C=C1[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccc(OCC)cc1 3219133 BHNLUNHGDVNJGF-WOJBJXKFSA-N 380.444 3.863 30 40 GHEB O=C1Nc2ccccc2/C1=N\c1cccc(S(=O)(=O)Nc2ccccc2)c1 4022972 VHBOXSNWGUWHIH-UHFFFAOYSA-N 377.425 3.560 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1)C(C(=O)OCC)=C(C)N2 4292288 MTGLXDYJZNCJIX-INIZCTEOSA-N 397.500 3.751 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OCC)cc2)nnc1-c1cccnc1 8472128 XKPFAGHKFVVGOS-UHFFFAOYSA-N 380.473 3.900 30 40 GHEB C=CCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1O 12344198 HIHWEBCXGDKXKX-UHFFFAOYSA-N 383.488 3.622 30 40 GHEB COc1cc([N+](=O)[O-])cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O 13546691 ZWZGKNPBWSARKZ-LZYBPNLTSA-N 399.428 3.817 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1)c1ccccc1 17180727 ANGTVFFXXRMBBR-KRWDZBQOSA-N 391.814 3.913 30 40 GHEB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 29899474 BWBJKQFTBHNFCP-HXJASHHUSA-N 380.444 3.643 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(OC)c1 40146063 OCOOBRQQPFEZGR-RUDMXATFSA-N 378.428 3.912 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccc(Cl)c2)no1 102724222 KPGQXMOPNZXFKF-UYTDBDHRSA-N 384.775 3.856 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccc(Cl)c1 102929596 MWZDDONAJKGTTA-GROYHEBESA-N 389.835 3.700 30 40 GHEB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\C)N(C)C3=O)c2C)cc1 408786767 NJKRSHHEYXYPDS-VOSKWGSBSA-N 397.500 3.803 30 40 GHEB N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Cc1ccccc1 4779453 DHPVSWHHTUFNPB-UHFFFAOYSA-N 376.437 3.784 30 40 GHEB C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 4999365 JSINOHKCRGNYQR-GFCCVEGCSA-N 379.445 3.814 30 40 GHEB C=CCNc1nnc(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)s1 9114754 CVTHNUZCQPMMJC-CQSZACIVSA-N 392.550 3.708 30 40 GHEB C=CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(Cl)s1 9154756 KVQGNTCLTDGFQB-UHFFFAOYSA-N 377.897 3.987 30 40 GHEB C=CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2c(s1)CCCC2 23174835 ZYVUYONINQSVGN-AWEZNQCLSA-N 399.491 3.733 30 40 GHEB COC(=O)c1cccc(COC(=O)c2cc(C3CC3)nc(SC)c2C#N)c1 26984257 ASURLKQZQFEBHM-UHFFFAOYSA-N 382.441 3.696 30 40 GHEB COc1cc(Br)cc(/C=N/c2ccccc2N2CCOCC2)c1O 32115095 FCNLRWIBOGERCC-UDWIEESQSA-N 391.265 3.751 30 40 GHEB Cc1nc(N2CCN(Cc3ccc(C#N)cc3)CC2)c2c(C)c(C)sc2n1 33010793 DVWBBYBSYKBNDA-UHFFFAOYSA-N 377.517 3.810 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccccc4)CC3)c2C#N)C1 35610485 TXQJHJLVIVTULJ-MRXNPFEDSA-N 394.544 3.505 30 40 GHEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 39556779 YJIPJEFNLXJKIC-UDWIEESQSA-N 382.423 3.640 30 40 GHEB C=CCc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OC)c1OCC(=O)O 59678808 DJOGZYYMCLXJEE-WSDLNYQXSA-N 382.416 3.596 30 40 GHEB CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccnc(Cl)c21 199596480 AEYZYDXHKUNJGR-UHFFFAOYSA-N 378.665 3.772 30 40 GHEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1C 408868102 NNBZXKFHAQGJQP-YDZHTSKRSA-N 375.428 3.902 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccc(OC)cc1 408931880 RMORVPMKRMPGQJ-PQDITWEDSA-N 384.457 3.651 30 40 GHEB CO/N=C(\C)c1ccc(OCC(=O)N[C@@H](C)Cc2c(F)cccc2F)c(C)c1 585080993 FKWLPWUUMXMGEP-WKZBPUGBSA-N 390.430 3.770 30 40 GHEB COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1OC 803778 IOZVGZUQUQXGMQ-UHFFFAOYSA-N 383.473 3.580 30 40 GHEB O=C(/C=C/Nc1ccccc1NS(=O)(=O)Cc1ccccc1)c1cccnc1 6024067 AUMHQSULLNKCMJ-WYMLVPIESA-N 393.468 3.832 30 40 GHEB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 7097491 BFVDULGIQWANIQ-HNNXBMFYSA-N 399.516 3.865 30 40 GHEB C=CCn1c(SCC(=O)N(C)C)nnc1-c1cc2c(s1)CC[C@H](CC)C2 9944462 LELNNDIVBOINSU-ZDUSSCGKSA-N 390.578 3.888 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccnc3)[C@H]2c2ccc(O)cc2)cc1 19138181 POCNSYPRTDRBEE-FQEVSTJZSA-N 386.407 3.879 30 40 GHEB C=CCN1C(=O)N[C@H](c2csc(Br)c2)C(C(=O)OCC)=C1C 26434286 ZEZNOOJCVIKFQA-CYBMUJFWSA-N 385.283 3.600 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)Nc3cccc(F)c3)nc2cc1OC 35289279 ZPYFQFBFQRLMAA-UHFFFAOYSA-N 397.431 3.994 30 40 GHEB COc1cc(/C=N\Nc2ccccn2)ccc1OS(=O)(=O)c1ccc(C)cc1 97991415 MECNAJUDMRQRJJ-HMAPJEAMSA-N 397.456 3.612 30 40 GHEB C=CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(OC)c21 100909570 CXCHNQRVRZUHAW-MRCUWXFGSA-N 384.457 3.656 30 40 GHEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 102900523 OUERWONKTUXTME-IDTYTIONSA-N 390.208 3.640 30 40 GHEB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)NC1=S 409006838 MFVYGGYTSSOTGA-YVLHZVERSA-N 397.887 3.868 30 40 GHEB Cc1ccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)o1 409146038 RQZYCOZBFXHWQK-XOEUHCNLSA-N 382.419 3.814 30 40 GHEB O=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1cccc2ccccc12 6475145 YDZJQAMZKBPXST-LJQANCHMSA-N 389.480 3.956 30 40 GHEB N#CC1(NC(=O)COC(=O)c2cccnc2Sc2ccccc2)CCCCC1 7984143 HERFPLDVWCSJNJ-UHFFFAOYSA-N 395.484 3.732 30 40 GHEB CN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C1(C#N)CCCCC1 8157207 MUFKGYKAOVDDQK-LJQANCHMSA-N 397.519 3.670 30 40 GHEB Oc1ccccc1/C=N/Nc1nnc(N/N=C/c2ccccc2O)c2ccccc12 17418079 QBDZZKQVPWJEMT-RNIAWFEPSA-N 398.426 3.933 30 40 GHEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2 18200479 YMCHXYNUPJSRKO-FQEVSTJZSA-N 381.428 3.983 30 40 GHEB Cc1oc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)c(C#N)c1C 24668528 KLUYGQRGOIJSCU-OAHLLOKOSA-N 378.432 3.727 30 40 GHEB CCOc1ccc2cc(C#N)c(SCC(=O)NCc3cccs3)nc2c1 35311861 IDIIYLMPFIWGBF-UHFFFAOYSA-N 383.498 3.975 30 40 GHEB C/N=C1/S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C(=O)N1C 59104806 DAAVVKAGATXWOE-OADBCFLWSA-N 386.448 3.945 30 40 GHEB Cc1nc(SCC(=O)Nc2ccc3c(c2)CCCN3C)c(C#N)c(C)c1C 64845209 OHXPILBKDPYVLV-UHFFFAOYSA-N 380.517 3.992 30 40 GHEB Cc1cc(C)nc(NN/C=C2/C(=O)[C@H](c3ccccc3)C(=O)c3ccccc32)n1 101093643 HKVZMZKQCGSCLI-UMSHPIDHSA-N 384.439 3.600 30 40 GHEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224999038 CBEUTSGEFBYGNE-UHFFFAOYSA-N 397.250 3.739 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408778780 KLMXJVATUPFIPF-LPYMAVHISA-N 385.464 3.854 30 40 GHEB COC(=O)c1cc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)ccc1Cl 409014141 PCIBZYGECFYQQF-OHBSIKEHSA-N 391.807 3.738 30 40 GHEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3nnn(C(C)(C)C)n3)c2C#N)C1 598801663 NFACPLYQOSMXCH-LLVKDONJSA-N 386.525 3.765 30 40 GHEB CSc1ccccc1NC(=O)CCN1CCCN(c2ccccc2C#N)CC1 48374304 BTNDCKCNEAEAEQ-UHFFFAOYSA-N 394.544 3.821 30 40 GHEB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(/N=C(\O)COc3ccccc3)nc2N1 2400889 YLIBQVXRBYBFLN-HNNXBMFYSA-N 397.822 3.530 30 40 GHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(F)cc1 13403485 JKBHHRRTFMRYHD-VFOOBRQFSA-N 389.427 3.945 30 40 GHEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(OC)c3O)S2)cc1 16161394 PKYVKLCGDTUYNR-CXUHLZMHSA-N 399.428 3.763 30 40 GHEB Cc1cc(C)nc(N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)n1 409020391 OUKGZKIAVCKXLD-QRVIBDJDSA-N 389.459 3.865 30 40 GHEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCOCC1)C2=O 118917961 MBKCNWRXKQJVAT-YEZZEHMWSA-N 385.548 3.705 30 40 GHEB CN(CCN(C)c1ccc([N+](=O)[O-])cc1C#N)C(=O)c1cccn1C1CCCC1 1615612015 UURYJFOUNDJXCU-UHFFFAOYSA-N 395.463 3.591 30 40 GHEB CCSc1nsc(/N=C(\O)CN2CCC(Oc3ccc(F)cc3)CC2)n1 19520509 ZYLCUOYGUXLJET-UHFFFAOYSA-N 396.513 3.921 30 40 GHEB C#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2c(C)cc(C)cc21 100910184 HQNJXXUYDDHTDU-FCQUAONHSA-N 388.448 3.800 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 4119620 SBRHMXYKDZSSFM-CTNGQTDRSA-N 395.411 3.923 30 40 GHEB CNC(=S)N/N=C/c1cn(CCOc2cc(C)cc(C)c2)c2ccccc12 4598885 ODJCJCBIFLJXRL-YDZHTSKRSA-N 380.517 3.765 30 40 GHEB CC(=O)/C(=C\n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1C 5504136 ATBQMRZXFMQABA-GXDHUFHOSA-N 396.428 3.984 30 40 GHEB N#Cc1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8266267 XDMJEFZCLCSVHA-MRXNPFEDSA-N 377.425 3.969 30 40 GHEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)Cc2ccco2)cc1 12550611 FLKQTAIYSRSJTR-UHFFFAOYSA-N 392.459 3.638 30 40 GHEB Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc2c(c1)OCCCO2 15867244 IXNSLGVMPRAYSF-UHFFFAOYSA-N 378.457 3.807 30 40 GHEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccccc2)c1=O 28538276 ILANEQAJPSYSAK-UHFFFAOYSA-N 380.473 3.869 30 40 GHEB O=S(=O)(N/N=C1\CCSc2ccccc21)c1ccc(Br)cc1 33042790 BYSFFPDQLVONAC-SAPNQHFASA-N 397.319 3.628 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1 57457585 ZPBGDOOFQPQPBW-WUXMJOGZSA-N 379.428 3.891 30 40 GHEB C#CCOc1cccc(NC(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1 95454966 ZSSRKMMHTJRQMJ-LJQANCHMSA-N 380.444 3.903 30 40 GHEB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCSC[C@H]1C#N 95985597 UYHOTOVVYZLCAJ-CQSZACIVSA-N 389.477 3.529 30 40 GHEB N#Cc1cccc(N2CCC[C@]3(CN(Cc4cccnc4)CC(F)(F)C3)C2=O)c1 306123001 ABYRHNUGYUYVES-NRFANRHFSA-N 396.441 3.608 30 40 GHEB O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 408723556 ZTPKNXMGSUSPHA-VXLYETTFSA-N 396.315 3.907 30 40 GHEB C=CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1Br 408740849 IOIJBETYIJMFOG-GIJQJNRQSA-N 377.198 3.763 30 40 GHEB N#Cc1ccc(N=c2cnc([C@@H]3CCCN3Cc3cc4ccccc4[nH]3)c[nH]2)cn1 585293578 JFAPYQLRSVGIBL-QFIPXVFZSA-N 395.470 3.727 30 40 GHEB N#Cc1ccc(CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)cc1 597891241 WYMRZIGQJSMSLN-UHFFFAOYSA-N 387.252 3.850 30 40 GHEB Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1C 3407071 BYHUSQHSGADNBD-UHFFFAOYSA-N 399.501 3.536 30 40 GHEB CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)CC1 4592998 IWNMGKPOTSHQTE-FYJGNVAPSA-N 386.473 3.587 30 40 GHEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)cc1 4677940 QCLCEHLWGGAHOF-RGEXLXHISA-N 379.485 3.723 30 40 GHEB C=CCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c2ccccc21 5100536 DUJDRHPELAONNM-LDADJPATSA-N 389.386 3.837 30 40 GHEB CC/N=C1/S/C(=C/c2cc(OCC)c(O)cc2Br)C(=O)N1CC 5825741 GZSFHLWVIMNVMW-XUVFPMAOSA-N 399.310 3.866 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2cc3ccccc3o2)nc1 6408202 LNCWDQRJODOYIZ-KGENOOAVSA-N 386.477 3.694 30 40 GHEB C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6509265 KWQSKQGXWNNLEW-UHFFFAOYSA-N 394.515 3.937 30 40 GHEB CCN1C=C(c2cs/c(=N/N=C/c3ccco3)[nH]2)[C@@H](c2ccccc2)NC1=O 12321066 WOCNAFZDXPKNFE-PGNNWUFWSA-N 393.472 3.731 30 40 GHEB C=C(C)Cn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCCC3 13691477 KWYJXOKMPFPMDC-UHFFFAOYSA-N 377.473 3.623 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)N(c3ccccc3)C(C)C)c3n2CCC3)cc1 17207689 CHIMJICPKMTJMK-UHFFFAOYSA-N 390.507 3.839 30 40 GHEB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc(C#N)cc2)cs1 18235608 LJRJQOZPTUIKPA-UHFFFAOYSA-N 375.453 3.958 30 40 GHEB Cc1ccc(N/N=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)cc1 27986176 BYMCZYCMVWXQDA-ZVHZXABRSA-N 387.443 3.962 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(-c3nnco3)cc2)c1 31705191 BVZRRFVCTQNOBJ-UHFFFAOYSA-N 376.416 3.679 30 40 GHEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cccc(C(=O)O)c1 210586627 RIAPLVJDJDLQNB-IXMFVRRYSA-N 397.412 3.917 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 409149776 QPPLNTRXGAPPGB-ATDKIUBJSA-N 386.451 3.797 30 40 GHEB C=CCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1 4599412 FKLPIRCSNUUUMA-UHFFFAOYSA-N 388.475 3.776 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](CCC)C(=O)O)C1=O 5373752 NFSZRSHHXQDTKQ-LKKYZFDUSA-N 377.487 3.706 30 40 GHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 5642862 UISIQDDWKDLODJ-MRXNPFEDSA-N 396.516 3.526 30 40 GHEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1cc(C)on1 5800557 NASQGOYJLMVCPQ-IBGZPJMESA-N 390.395 3.775 30 40 GHEB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC(=O)Nc1cccc(C#N)c1 7416924 QMPIJCJQEKYEND-UHFFFAOYSA-N 395.415 3.925 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3cccc(C)c3)cc21 8959619 VMAFPUNONOAEPV-UHFFFAOYSA-N 394.471 3.950 30 40 GHEB C=CCn1cc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c2ccccc21 12146022 MEWAPLMLYIAYPJ-UHFFFAOYSA-N 387.483 3.942 30 40 GHEB CCCC/N=C1\S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC 12173272 JUMQOMBRFKELOX-UNEBPCJRSA-N 391.537 3.924 30 40 GHEB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)N(C)C1(C#N)CCCCC1 13009934 FNQJKWQZLKZCMR-FMQWLBJXSA-N 391.471 3.865 30 40 GHEB Cc1cc(=O)oc2cc(OCC(=O)N(C)C3(C#N)CCCCC3)c(Cl)cc12 14197948 HHLHQOSTHHCLOE-UHFFFAOYSA-N 388.851 3.819 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3c(C)cccc3C)c3n2CCC3)cc1 17252739 GSZJWNSKUYRGJX-UHFFFAOYSA-O 376.480 3.653 30 40 GHEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c(OC)c1 32502135 XCDXSZASSBJQJT-UKWGHVSLSA-N 393.439 3.943 30 40 GHEB O=S(=O)(/N=C(\O)CCc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 48536034 CFIIYCBHQLXLLN-UHFFFAOYSA-N 395.864 3.779 30 40 GHEB C[C@H](O/N=C(/N)c1ccc(N2CCCCC2)nc1)c1nnc(-c2ccccc2)o1 72311204 QZBQNGLJPCSWMU-HNNXBMFYSA-N 392.463 3.520 30 40 GHEB C/N=C1/S[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N1C 105789589 OLOOPTLNDALVOP-VFDYIDLISA-N 380.684 3.535 30 40 GHEB N#CC1(c2ccccc2)CCN(C(=O)c2ccc(O[C@@H]3CCSC3)nc2)CC1 225717142 MRTJXGFSITZZKL-LJQANCHMSA-N 393.512 3.663 30 40 GHEB CCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)c(C#N)c1C 1284926 CRVUXXQTXUYUIS-UHFFFAOYSA-N 383.223 3.713 30 40 GHEB CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 2796718 OXDNEKJVTRDCBH-FQEVSTJZSA-N 395.459 3.575 30 40 GHEB COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435961 ACFMAPKNFKWXQC-ORAYPTAESA-N 378.457 3.764 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 13161736 KPKYKVQBLDMUGQ-IBGZPJMESA-N 383.419 3.749 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 14196616 ONFVXBIGDIMCGD-SFHVURJKSA-N 377.488 3.628 30 40 GHEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1 214485092 BTCYFBPCMJVVRA-QGOAFFKASA-N 394.452 3.926 30 40 GHEB Cc1nc2c([nH]c3ccc(Cl)cc32)c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 2311529 BAQHSNLEZUPSIN-AWQFTUOYSA-N 381.779 3.630 30 40 GHEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccccc1 4311469 ITZASVSKGAYQPC-NHFXJNLRSA-N 396.487 3.742 30 40 GHEB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccc(F)cc4)nc3C#N)CC2)cc1 12418291 QWFDBITYHHBXGO-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB C=C1[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@H]1C(=O)Nc1ccc(OCC)cc1 13136076 BHNLUNHGDVNJGF-BGYRXZFFSA-N 380.444 3.863 30 40 GHEB O=C1/C(=N\Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 13404316 UXZRKDTZBCSXLI-ATJXCDBQSA-N 385.383 3.814 30 40 GHEB N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1 56127488 IOIWURMVTMEZBQ-QGZVFWFLSA-N 391.290 3.847 30 40 GHEB Cc1cccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]2C)c1 58162391 FDSDKNKJJSTJMP-INIZCTEOSA-N 382.895 3.669 30 40 GHEB C=CCc1cc(/C=N/c2cc(C(=O)O)ccc2C)cc(OC)c1OCC(=O)O 59678283 LLKSSPDKHUSPHE-SSDVNMTOSA-N 383.400 3.644 30 40 GHEB COc1cccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c1 95117246 RBGJNSGFWPYTKN-INIZCTEOSA-N 375.424 3.885 30 40 GHEB Cc1noc(C)c1CN(C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 95456882 PRKAWHVELLLFLP-INIZCTEOSA-N 395.290 3.801 30 40 GHEB O=C(COc1ccccc1)/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21 102944907 LCNYCCWZZIOXLM-DARPEHSRSA-N 377.831 3.903 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224875951 LTLRJNJUYNXHNM-MRXNPFEDSA-N 378.472 3.887 30 40 GHEB C=CCN(CC=C)C(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408722521 VHJDYSUALDZOHI-JPYJTQIMSA-N 380.488 3.817 30 40 GHEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1Cl 408743113 ZJHDRDQCQPWKCH-AHURVMIPSA-N 392.267 3.760 30 40 GHEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408882510 OODNJMQPHLWUHL-PDGQHHTCSA-N 379.441 3.798 30 40 GHEB COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1Cl 409018525 HQPTXXIYQBAZHV-JYQBEENSSA-N 391.807 3.738 30 40 GHEB C=CC[C@@H](CC)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 544112155 RTLNHDQWPGKSFP-SNVBAGLBSA-N 375.782 3.555 30 40 GHEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C#N)C1 4275218 KTDFDGMDLZVPLL-UHFFFAOYSA-N 375.453 3.930 30 40 GHEB CN1Cc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2CC1(C)C 4833489 UISUIXNIEAADCJ-UHFFFAOYSA-N 384.530 3.513 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4cccs4)nc13)O2 5351915 ROVRCYXODRQBKY-INIZCTEOSA-N 390.424 3.977 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 6453447 BRJWBUFRQHPUDA-UHFFFAOYSA-N 394.500 3.794 30 40 GHEB CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)cc1 6693411 FSKHQWDUHLJRIT-OAHLLOKOSA-N 396.516 3.699 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1cccs1 8997700 LCNRFKSFQDCEPD-SFHVURJKSA-N 376.437 3.922 30 40 GHEB Cc1nc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)nn1-c1ccc(F)cc1 12527937 BDJWQMRSTOORDM-UHFFFAOYSA-N 397.413 3.762 30 40 GHEB COC(=O)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 16952878 NNSMQURZKUOLIF-SIBCGJTDSA-N 389.451 3.518 30 40 GHEB COc1ccc(/C(Cc2ccccc2)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 17109887 HMYVHPKTIPTTSX-GHVJWSGMSA-N 394.496 3.929 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)o1 20281363 RIIFCLHEMWCANI-HXUWFJFHSA-N 396.487 3.817 30 40 GHEB CCOc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608249 OENGJXLOGXUQQD-MGPLVRAMSA-N 392.381 3.964 30 40 GHEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)n1 27061631 HZZXFOTWZHLMKQ-HXUWFJFHSA-N 386.407 3.879 30 40 GHEB N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1cccs1)N1CCOCC1 27794086 HDUKAYIXZGZSGU-KRWDZBQOSA-N 380.473 3.760 30 40 GHEB CN(CC(=O)N/C(O)=N/Cc1ccccc1)Cc1cccc(Cl)c1Cl 57347680 RKBYEQDNFZISDC-UHFFFAOYSA-N 380.275 3.656 30 40 GHEB N/C(=N/OCc1cccc(Br)c1)c1ccc(N2CCCCC2)nc1 58498544 KQDNDBSEULWQCR-UHFFFAOYSA-N 389.297 3.672 30 40 GHEB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C#N)c3ccc(F)cc3F)o2)cc1 68401891 FZPWXMOWYXTJCK-KRWDZBQOSA-N 382.370 3.637 30 40 GHEB N#CCSc1nc2ccc(Cl)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12 95469518 GMISMRXNUOLEJF-UHFFFAOYSA-N 397.822 3.713 30 40 GHEB CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(C)C2=O)cc1 103713634 ZDNWJJPQMXZAFR-NKWDDMGQSA-N 397.500 3.984 30 40 GHEB COc1cc(Br)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408590849 IKRZGNNWQPOIST-GIJQJNRQSA-N 395.209 3.925 30 40 GHEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409329442 FPMNFZBHVLIGEU-SOFYXZRVSA-N 381.822 3.702 30 40 GHEB C#CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383941 SQZKNBRKNINFOE-KOEQRZSOSA-N 379.419 3.958 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2scc(-c3ccccc3)c2c1=O 8401719 RFBAHCQYSVVSNU-LBPRGKRZSA-N 386.498 3.965 30 40 GHEB C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2sccc2c1=O 12739447 CBVPIWWXBIKHFH-UHFFFAOYSA-N 391.562 3.773 30 40 GHEB CCc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102555568 JDEPLYXFKSEQCZ-GHNGSUTGSA-N 378.384 3.765 30 40 GHEB C=CCn1c(C)nnc1SCc1ccc(OC)c(OC)c1Br 48368603 DBYJMDIDXCZCDL-UHFFFAOYSA-N 384.299 3.845 30 40 GHEB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1 2478945 XFWQTVUOZMAKOW-HSZRJFAPSA-N 376.456 3.921 30 40 GHEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F 64695959 BBAKUIAVPWTCIM-QHHAFSJGSA-N 397.811 3.609 30 40 GHEB Cc1cc([C@H]2NC[C@H](C(=O)O)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 408975965 DEEHRXMBTIMBSV-SJORKVTESA-N 387.530 3.694 30 40 GHEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccccc2OC)cc1 4904912 HBTJOZZZNCLKKN-PYUKZKILSA-N 383.473 3.558 30 40 GHEB CCOC(=O)N1CCC(=NNC(=S)Nc2ccc(Cl)cc2Cl)CC1 4985689 VSHBMLMSHFVCHX-UHFFFAOYSA-N 389.308 3.888 30 40 GHEB CCCCOc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OC 96405118 QOVIOKSPHTZGNK-VBKFSLOCSA-N 386.469 3.928 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1cccnc1 9594962 LNELKLIAUVULIV-OAHLLOKOSA-N 379.489 3.954 30 40 GHEB C=CCNC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8271729 PGGIQOYRDHPJCK-GFCCVEGCSA-N 385.514 3.576 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1O 18197163 REHCFXJRFJJHOW-NRFANRHFSA-N 381.428 3.983 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc(C)cc1 35682805 PIJNAQDJBGAOHB-UHFFFAOYSA-N 396.491 3.987 30 40 GHEB CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1 6718476 PCZLQMGFNUNVOM-UHFFFAOYSA-N 391.381 3.836 30 40 GHEB biogenic C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224803998 FHFNZKSWCDAPBK-UHFFFAOYSA-N 397.880 3.747 30 40 GHEB Cc1nc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)c(C#N)c(C)c1Cl 1889124928 TWGDPUNVKHKGQT-INIZCTEOSA-N 381.867 3.786 30 40 GHEB CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C 939694 RGAYXBKAODFERC-UHFFFAOYSA-N 387.443 3.657 30 40 GHEB C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(Cc3ccccn3)CC2)c1 12594959 SQUAIKDZSPBGFW-UHFFFAOYSA-N 378.520 3.877 30 40 GHEB CCc1nnc2n1N(C(C)=O)C(c1ccc(Cl)c(Cl)c1)=C(C(C)=O)S2 4518335 ZFCOGQUYLPDBAZ-UHFFFAOYSA-N 397.287 3.695 30 40 GHEB O=C(C1=C2NC(=O)c3ccccc3N2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 1781026 UURRHXOTOSSROF-UHFFFAOYSA-N 397.390 3.910 30 40 GHEB COC(=O)CCCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OCC#N)cc1 95427759 AXPGNBYYALZXNO-SDNWHVSQSA-N 392.455 3.584 30 40 GHEB C=CCNC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8271725 PGGIQOYRDHPJCK-LBPRGKRZSA-N 385.514 3.576 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 20633176 UOQHAZDIGYATLY-LJQANCHMSA-N 390.399 3.963 30 40 GHEB COC(=O)c1cccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c1 409093885 BKDIJEFZTPSFGN-IUXPMGMMSA-N 379.166 3.600 30 40 GHEB COC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242581709 OCDWQEYIJOLGSI-IPMKNSEASA-N 375.877 3.745 30 40 GHEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(F)ccc2F)nc1C 12736123 DJERKGOMHDDOLP-UHFFFAOYSA-N 393.444 3.715 30 40 GHEB CCOC(=O)CSc1nc(C)cc2c1C(=O)O/C2=C\c1c(C)[nH]c(C#N)c1C 4751819 KAKQKBDYOFYCJP-APSNUPSMSA-N 397.456 3.530 30 40 GHEB Cc1ccc(-c2csc([C@H](C#N)C3=NS(=O)(=O)c4ccccc43)n2)cc1 5683954 CNTLCFDPHNRZJJ-OAHLLOKOSA-N 379.466 3.917 30 40 GHEB C=CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 15819109 ZRONKOIKRJMHMB-UHFFFAOYSA-N 396.921 3.779 30 40 GHEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OC 20761594 HBEAZQHIKYKICD-RGVLZGJSSA-N 393.281 3.989 30 40 GHEB CCCCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nc(C)c1C 26121950 UNTHWPHAUUXDGD-UHFFFAOYSA-N 381.505 3.826 30 40 GHEB C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc21 32593385 KCNUXOOHQRWVBF-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB C#CCCC1(CCC(=O)N[C@@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)N=N1 1616032149 RFXIEBIFBAIOQA-MRXNPFEDSA-N 382.247 3.765 30 40 GHEB Cc1cccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)c1 12418541 QCHIVRJFVRCOPK-ZHACJKMWSA-N 398.466 3.988 30 40 GHEB CCOC(=O)c1c(C)[nH]c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1C 24506933 UYZKTOLBSXRZTF-UHFFFAOYSA-N 392.377 3.609 30 40 GHEB CN(CCOc1ccc(F)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 24898557 IAYAGLJNROHYFV-UHFFFAOYSA-N 387.480 3.587 30 40 GHEB CCC[C@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 2218677 LUCTZCRGRROOSO-ZDUSSCGKSA-N 385.514 3.988 30 40 GHEB aggregator CSc1nc(C2CC2)cc(C(=O)OCc2nc(-c3ccccc3)no2)c1C#N 10711850 YHYZCAGFQREYKM-UHFFFAOYSA-N 392.440 3.960 30 40 GHEB N#Cc1ccc(F)c(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12804764 LLHFQVGFKHCICU-UHFFFAOYSA-N 380.419 3.563 30 40 GHEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C1=O 409217364 PLXVHDZXSSKUCI-RAXLEYEMSA-N 390.317 3.613 30 40 GHEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 5901215 GGYBUKITEXOMCS-NLLJVSSUSA-N 398.411 3.650 30 40 GHEB biogenic COc1ccc2nc(NCCCNC(=S)Nc3ccccc3)c(C#N)cc2c1 35312332 KHBQOVLIITVVPU-UHFFFAOYSA-N 391.500 3.904 30 40 GHEB C=CCOc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222498295 NQHWORRQNKVSMH-UHFFFAOYSA-N 394.880 3.553 30 40 GHEB CCOC(=O)CO/N=C/c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695300 HHTZPYFEQYAMSV-FOKLQQMPSA-N 395.381 3.747 30 40 GHEB O=C1/C(=C2/Sc3ccc([N+](=O)[O-])cc3C2=O)Sc2ccc([N+](=O)[O-])cc21 5214500 IXKRRMUBLHXQOS-NXVVXOECSA-N 386.366 3.992 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 16890790 YTOGKJYSVRMJBN-UHFFFAOYSA-N 398.484 3.504 30 40 GHEB CCOC(=O)c1c(NC=C2C(=O)CC(C)(C)CC2=O)sc(C(C)=O)c1C 102220109 XVSCLUOFRSVLET-UHFFFAOYSA-N 377.462 3.690 30 40 GHEB O=C(NCc1ccccc1)c1cc[n+](CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4766810 VZPJVGLQBDYLPF-UHFFFAOYSA-O 389.519 3.690 30 40 GHEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1C(F)(F)F 4944634 SEJZTZMDODSOSP-NSHDSACASA-N 395.406 3.551 30 40 GHEB C=CCNC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1CCCC2 5027476 QACKFRIRFRLBNC-UHFFFAOYSA-N 384.501 3.869 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(F)cc1 9594285 PXTHLMHZTAEATF-UHFFFAOYSA-N 396.491 3.987 30 40 GHEB N#Cc1c(CCCCCNc2nc(C(F)(F)F)nc3ccccc23)n[nH]c1N 12603869 RDYGABJLHNSYEA-UHFFFAOYSA-N 389.385 3.650 30 40 GHEB O=C(O/N=C/c1ccc(OC(F)F)cc1)[C@@H]1CCCN1C(=O)c1cccs1 14074991 GEGZUCZATUGXJM-FVUPAENESA-N 394.399 3.531 30 40 GHEB CCOc1cc(COC(=O)COc2ccccc2C#N)ccc1OC(F)F 32752683 QMXZEPVRSWOVTQ-UHFFFAOYSA-N 377.343 3.681 30 40 GHEB COc1cccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1OC 33768116 IJYGJKUWMLXRCG-VSKRKVRLSA-N 399.450 3.694 30 40 GHEB CN(C)C(=O)O/N=C/c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695263 BRUNUEPGSICCFR-SSDVNMTOSA-N 380.370 3.866 30 40 GHEB N#C[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CCN1Cc1ccccc1 108152665 RSCPABJJAJWFSC-OAQYLSRUSA-N 391.906 3.940 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)c2C)cc1 408585991 ACRUSCYKDYSMTL-XCFNILFGSA-N 387.483 3.934 30 40 GHEB COc1ccc(C(=O)Oc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2)cc1 408881209 MGKZOFNZHYQNSR-WSDLNYQXSA-N 392.371 3.664 30 40 GHEB CC(=O)Oc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385574 VTYWBUQXCXEKIU-BUVRLJJBSA-N 383.407 3.871 30 40 GHEB CN(C)CCOc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1 29209808 OCSKDLSKHJPMJJ-UHFFFAOYSA-N 385.830 3.978 30 40 GHEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/N1C(=O)c2ccccc2C1=O 2645554 PINCXRYADOKFKF-LSHDLFTRSA-N 382.782 3.603 30 40 GHEB COc1ccc(-c2nc(-c3ccc(C)cc3)nc(N3CCN(C)CC3)c2C#N)cc1 5417033 HUVGWMNVXDGUNS-UHFFFAOYSA-N 399.498 3.751 30 40 GHEB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)c(C)c1 4784406 CEVBOOYVPJQSDN-HSZRJFAPSA-N 376.456 3.723 30 40 GHEB N#Cc1ccc(-c2ccc(OC(=O)CN3C(=O)COc4ccccc43)cc2)cc1 14905772 CRAXXXBCSSFCHT-UHFFFAOYSA-N 384.391 3.556 30 40 GHEB CCn1c(N/N=C/c2ccc(I)o2)nc2ccccc21 408692707 SODCQMXGXGJXGI-CXUHLZMHSA-N 380.189 3.700 30 40 GHEB COc1cc(/C(N)=N/OCc2coc(-c3cccs3)n2)ccc1OC(F)F 39969547 ZYNXMXIEYIASGG-UHFFFAOYSA-N 395.387 3.850 30 40 GHEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834070 LMEDIOAMGJTBLB-UHFFFAOYSA-N 379.865 3.801 30 40 GHEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224770186 MZFIYNUSIRYHHB-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)cc1 224850840 BBGZKGCUMPRGIK-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 5446213 CPXPZUBMBCXFDN-UYAOXDASSA-N 395.430 3.891 30 40 GHEB COc1cc(-c2cc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc(OC)c1OC 12461941 LJHWHJIZCYEPIR-UHFFFAOYSA-N 376.412 3.915 30 40 GHEB biogenic,in-vitro Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCC2)cc1 2368376 HOGRCZWRUZHKJR-LJQANCHMSA-N 392.484 3.577 30 40 GHEB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1Cc1ccccc1 3457723 LUYXNXANHJVXDL-AWEZNQCLSA-N 377.473 3.626 30 40 GHEB CCCCNC1=C/C(=N\c2ccc(C(=O)OC)cc2)c2c(O)cccc2C1=O 5792560 POOTXYWQUJJBEK-JJIBRWJFSA-N 378.428 3.770 30 40 GHEB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(C#N)cc2)[nH]1 6464239 WUGDERILYJKMOZ-UHFFFAOYSA-N 399.863 3.736 30 40 GHEB COc1ccc(OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 9418690 RRPAWTYSPBCZPV-UHFFFAOYSA-N 379.416 3.644 30 40 GHEB Cc1ccc(O)c(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1 12253150 FDFRVKVTAFEETN-UHFFFAOYSA-N 395.459 3.901 30 40 GHEB C[C@@H]1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 13843655 ISDOPGIWFLNRHI-HXPJWWMGSA-N 386.907 3.615 30 40 GHEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20610652 ORLNHQOWSHVYEK-JAIQZWGSSA-N 381.428 3.969 30 40 GHEB biogenic C#CCN(Cc1ccc(F)cc1)C(=O)NCC1CCN(Cc2ccccc2)CC1 58215099 WKBRTAZTRNCSNI-UHFFFAOYSA-N 393.506 3.883 30 40 GHEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)Nc1ccc(F)cc1 225860397 NOXQGQGGAJMNLR-UHFFFAOYSA-N 382.826 3.964 30 40 GHEB CC/N=C1/S/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)N1CC 408929941 PZORSXAKVDYJPW-AFEKCPOISA-N 399.310 3.778 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(OC)c1 974277 AUTHIGPVRCOTLD-XFPJRNFQSA-N 392.455 3.926 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12789648 HZPWXWDDEYTTHK-DCIWPNQLSA-N 375.523 3.572 30 40 GHEB N#C[C@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1 2302708 LVAGGXOEXJIDEF-IBGZPJMESA-N 399.498 3.586 30 40 GHEB aggregator CCC(=O)C1=C(c2ccc(C(C)(C)C)cc2)N(C(=O)CC)n2cnnc2S1 4518330 OOJQEFMTYGYNCC-UHFFFAOYSA-N 384.505 3.904 30 40 GHEB Cc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccccc2Cl)c(C#N)c1=O 409196752 XHTJZDZNRBSATJ-KHPPLWFESA-N 391.814 3.935 30 40 GHEB Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 408627750 NJUKZRHVPGLGTF-LBPRGKRZSA-N 399.541 3.945 30 40 GHEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2C)cc1 408589644 MIORZZAOSQQVJQ-XEKLLHGHSA-N 399.494 3.790 30 40 GHEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1 409114135 IZTMJFWVXGZPTE-CIAFOILYSA-N 380.360 3.873 30 40 GHEB N#Cc1sccc1S(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 593533010 HZUCODZUMNLMJC-ZDUSSCGKSA-N 397.319 3.908 30 40 GHEB CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 5673574 OZBCLCBZGFTEGI-SFHVURJKSA-N 397.500 3.950 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 13004931 UNPNUKGMKMGGJH-FQEVSTJZSA-N 395.455 3.618 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 104180532 HWNHHEUORQSWDR-SXWSKBOKSA-N 383.454 3.534 30 40 GHEB Cc1ccoc1C(=O)[C@@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 101009787 DXTXHOHYRKRHFR-LBPRGKRZSA-N 389.289 3.862 30 40 GHEB COc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 1430128 QHJVHEVFLOYSSY-AZUAARDMSA-N 390.483 3.889 30 40 GHEB O/N=C1/C[C@H](Sc2nc(-c3ccccc3)cc(C(F)F)n2)[C@@H]2CO[C@@H]1O2 101068080 ARSOMLNPDAIQKS-FOICUMNGSA-N 379.388 3.517 30 40 GHEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1OC 46708970 CQLBGRPIXOUXKU-UHFFFAOYSA-N 390.244 3.704 30 40 GHEB Oc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 4179529 MEQYXIHPRRCVLW-PXLXIMEGSA-N 389.463 3.757 30 40 GHEB COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(CCc2ccccc2)C1=O 4699825 FKYFLAWJYSRJPY-CWOOXZEWSA-N 384.432 3.688 30 40 GHEB CCCCNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C 4795073 LPUCBTOGWHABAG-XLTHYULKSA-N 398.529 3.799 30 40 GHEB CCCN1C(=O)/C(=N\OCC(=O)Nc2c(C)cccc2CC)c2ccccc21 7787211 KSJCYWJKSPTTPM-FLFQWRMESA-N 379.460 3.673 30 40 GHEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OCC 409050028 SBPOZFRBGLFDBD-UVTDQMKNSA-N 380.897 3.723 30 40 GHEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409156440 OEWNZZHTSQDUPJ-CXUHLZMHSA-N 397.843 3.887 30 40 GHEB CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC 36619657 DCIHRWWTVBRCPO-IBGZPJMESA-N 381.428 3.692 30 40 GHEB O=C(/C(=C(/S)Nc1ccccc1)[n+]1ccccc1)c1cccc([N+](=O)[O-])c1 5156463 IDOFYHSPXZRRGP-UHFFFAOYSA-O 378.433 3.933 30 40 GHEB C[C@H](OC(=O)CSc1ccccc1Cl)C(=O)NC1(C#N)CCCCC1 21173281 BPBZWIYUKMJNPM-ZDUSSCGKSA-N 380.897 3.706 30 40 GHEB COc1ccc(C2(C#N)CC[N+](C)(CC(=O)c3ccccc3)CC2)cc1OC 4689924 HECGNBZLXAFXAD-UHFFFAOYSA-N 379.480 3.588 30 40 GHEB C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2CCc2ccccc2)C1=O 2095439 UIBZHDCBERELPA-VXKWHMMOSA-N 399.494 3.623 30 40 GHEB biogenic C[C@@](C#N)(NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1)C1CC1 22356359 OPIVNBXLRYXIPM-SFHVURJKSA-N 380.414 3.526 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 5906484 AUYSDMMDAHEABY-IBGZPJMESA-N 393.395 3.968 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 6785654 HUQUDWCOEULIAU-UHFFFAOYSA-N 385.518 3.935 30 40 GHEB COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc([N+](=O)[O-])c1O 34722479 GYTOEGKCJOOXPB-SXGWCWSVSA-N 399.428 3.817 30 40 GHEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F 102962211 UFASEKIARGLUCE-WXVFVKJXSA-N 383.448 3.948 30 40 GHEB COc1c(O)ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1[N+](=O)[O-] 408720666 BRMOVFRJERVWSC-ZROIWOOFSA-N 385.401 3.509 30 40 GHEB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)c1 409321282 SPFWDHDPDDVFIP-VCHYOVAHSA-N 391.452 3.850 30 40 GHEB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)o2)cc1 852474 JCCGKZFLQYRWGJ-UHFFFAOYSA-N 380.429 3.560 30 40 GHEB COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)cc2)cc1 4516899 HITDHIYLDHMOLS-UHFFFAOYSA-N 376.416 3.733 30 40 GHEB Cc1oc(NC(=O)COC(=O)c2ccccc2NCc2ccco2)c(C#N)c1C 24836267 JTZHYSMWQVEFBQ-UHFFFAOYSA-N 393.399 3.769 30 40 GHEB CCc1cc(=O)oc2c(C)c(OCC(=O)N(CCC#N)c3ccccc3)ccc12 3233812 RUYNZIRQOUIQPV-UHFFFAOYSA-N 390.439 3.990 30 40 GHEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)COc2ccccc2C#N)cc1 12633712 NIECKOCPTJQFBK-LNVKXUELSA-N 393.468 3.793 30 40 GHEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(Br)cc2)CC1 29225113 ZIASOFIQIPLLPS-UHFFFAOYSA-N 387.281 3.508 30 40 GHEB COc1ccc(/N=C2/S/C(=C\c3cc4c(cc3OC)OCO4)C(=O)N2C)cc1 409050871 BRNHYNXZPBNWOG-FCQQVYGVSA-N 398.440 3.666 30 40 GHEB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)NC1(C#N)CCCCC1 6558633 UOWFXERDCUWWES-LPQFERQCSA-N 377.444 3.522 30 40 GHEB CN1/C(=C\C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)C(C)(C)c2ccccc21 17723643 DWLODPFLPZXPQR-YHTSIIMFSA-N 382.287 3.994 30 40 GHEB C[C@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 35031567 FEACBXQMCWENHN-IPMKNSEASA-N 377.598 3.733 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccco1)c1cccs1 585146753 LCEJKGFUXFPBME-CQSZACIVSA-N 399.859 3.753 30 40 GHEB N#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)cc1 1776009096 VBDNRZUULSJWCU-HOTGVXAUSA-N 385.265 3.526 30 40 GHEB N#C[C@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16007381 RLWFGRFNTJCAKV-ZSYWTGECSA-N 393.805 3.518 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccccc3C(C)C)C(=O)NC2=S)cc1 16292818 QHORFMDPEIHYQS-MTEVNVADSA-N 379.485 3.885 30 40 GHEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2OC)CC1=O 4910211 NAAFEYNGWCGHMP-KRWDZBQOSA-N 391.471 3.626 30 40 GHEB N#Cc1cccnc1N1C[C@@H]2CN(c3nc4c(Cl)cccc4s3)C[C@H]2C1 2086867493 SAICAJGNXMJEBL-ZIAGYGMSSA-N 381.892 3.789 30 40 GHEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102929648 LWNFGTIAIGRGKX-FPUHYBSFSA-N 397.858 3.941 30 40 GHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1152427 JQFVGYZOHUSEOL-SFQUDFHCSA-N 397.452 3.857 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 105377651 WPQMZZXIPRONLR-TYUQVFQOSA-N 389.536 3.576 30 40 GHEB biogenic C=CCc1cc(/C=N\c2ccc(Cl)cc2O)cc(OC)c1OCC(=O)O 408847678 NXEQTKSTRYQRRV-FBHDLOMBSA-N 375.808 3.997 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1C 16045224 IYESLENWBNUZGX-UHFFFAOYSA-N 382.489 3.514 30 40 GHEB C=CCOc1ccc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cn1 408891215 MZRKUKRMAROOAE-GIJQJNRQSA-N 377.198 3.763 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@H](C)CCC[C@H]3C)c(=O)c21 72334541 VDYOGRIRAHPUAE-ZIAGYGMSSA-N 398.532 3.697 30 40 GHEB Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SC[C@H]2CO2)cc1 5446267 ATLBKUQMCNLOPD-OAHLLOKOSA-N 386.498 3.709 30 40 GHEB C=CCn1ccc2c(OCC(=O)Nc3ccc(OCC)cc3)cccc2c1=O 4584225 QKHJHECJOWQTIK-UHFFFAOYSA-N 378.428 3.604 30 40 GHEB CC/C(=N\OC/C=C/Cl)C1=C(O)C[C@H](C[C@H](C)[S@@](=O)CC)CC1=O 227090617 UABMGBLIZYILDD-JMKKDBEQSA-N 375.918 3.860 30 40 GHEB in-vitro CCC[C@H](OC(=O)C(F)(F)F)C1=C(Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O 3071555 RARXKXYVAQWDPT-GXSJLCMTSA-N 384.778 3.542 30 40 GHEB CCCc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 95373427 PQDPCYSKAKKZOY-AWEZNQCLSA-N 392.443 3.559 30 40 GHEB C[C@H](c1ccccc1)n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3251267 OHNLTYHBJFIHNE-CYBMUJFWSA-N 378.815 3.919 30 40 GHEB COC(=O)N[C@H](Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F 3212570 LRXXUCICTKQDFM-SECBINFHSA-N 381.219 3.919 30 40 GHEB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2sccc2C#N)c1C 3288323 CRJLIHLORMYLFG-UHFFFAOYSA-N 379.441 3.834 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1 27016162 GJUARQBMAZFDOA-MRXNPFEDSA-N 376.865 3.719 30 40 GHEB COC(=O)c1cccc(-c2ccc(/C=N/NCc3ccc(OC)c(OC)c3)o2)c1 20195885 IYLKANOQKURKAD-ZVHZXABRSA-N 394.427 3.874 30 40 GHEB O=[N+]([O-])c1ccc2c(c1)/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(O)=N2 7141189 DOOOGTVQJYCUNH-UHFFFAOYSA-N 395.253 3.940 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2CCCC2)nc2scc(C3CC3)c2c1=O 7653586 HQWLCHUCIUHZAD-GFCCVEGCSA-N 389.546 3.624 30 40 GHEB COc1cc2c(c(OC)c1)[C@H](c1ccc(C(=O)O)cc1)C1=C(CCCC1=O)N2 18198367 GJWRLPLRSDAMCB-LJQANCHMSA-N 379.412 3.967 30 40 GHEB CCCCCCCN(CC)C(=O)CC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 77301600 AJYZQCZASWLBGI-IBGZPJMESA-N 398.569 3.691 30 40 GHEB in-vitro COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H](C)OCC(C)C)c2)c1 40092043 GHOWUTIJSHZISX-QGZVFWFLSA-N 379.456 3.873 30 40 GHEB O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)COC2 589936631 UIQLCXLYAOALEZ-UHFFFAOYSA-N 381.478 3.979 30 40 GHEB C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCCCC1 10343849 KALCHXKBJOMCIT-INIZCTEOSA-N 381.520 3.963 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 13570356 VSSVFGJMNDYTEF-QGZVFWFLSA-N 396.424 3.836 30 40 GHEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCCN1CCOCC1 20506739 ABGYTQXQAUNESE-UHFFFAOYSA-N 383.395 3.656 30 40 GHEB Cc1csc([C@H](C#N)C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)n1 12569121 GJAYBZPIJAOMSJ-SNVBAGLBSA-N 390.471 3.938 30 40 GHEB COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)[nH]c2c1 4252316 HYPZMBGFMQXFBJ-UHFFFAOYSA-N 384.486 3.724 30 40 GHEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(N2CCOCC2)cc1 6615224 OUPJRZHDURTCKL-QGOAFFKASA-N 383.448 3.554 30 40 GHEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c(OC)c1 12662757 CNZMULGUJNYWFO-UKWGHVSLSA-N 398.411 3.650 30 40 GHEB biogenic CCOc1cccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)c1O 5025080 BFSCZGVBOPDNLF-FPIDQHAWSA-N 398.440 3.723 30 40 GHEB COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 5800551 DTUAIIPCDIPXOQ-IBGZPJMESA-N 390.395 3.775 30 40 GHEB CCc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 6942397 YYYVBNHOGWZTHP-UHFFFAOYSA-N 387.461 3.543 30 40 GHEB CCN(CC)C(=O)c1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1Cl 32932746 GZRPLZLRYSNOTF-UHFFFAOYSA-N 390.915 3.577 30 40 GHEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccccc1F 13098568 UFASEKIARGLUCE-MBOBHEEDSA-N 383.448 3.948 30 40 GHEB C(=N/Nc1nnc2c3cccnc3c3ccccc3c2n1)\c1ccc2c(c1)OCO2 17108258 MHHCSXXUYYBLAJ-BHGWPJFGSA-N 394.394 3.901 30 40 GHEB N#Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 18088997 HJIGPBHCAOPVGF-BHIFYINESA-N 395.418 3.609 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(Cl)s2)nc1 6408107 GKKBRVZIPHNAGH-WOJGMQOQSA-N 386.930 3.663 30 40 GHEB N#Cc1c(N)nc(SCC(=O)OCc2ccccc2)c(C#N)c1-c1ccco1 20841526 WSBQCJPRFHXMGA-UHFFFAOYSA-N 390.424 3.503 30 40 GHEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102878893 YUIHLWNLWYYZRY-SQMUXHPUSA-N 397.858 3.941 30 40 GHEB C[C@H]1CCc2sc(NC(=O)[C@@H]3CC(Cl)=CC[C@@H]3C(=O)O)c(C#N)c2C1 4181106 ALGGPDBMSJBQIC-XHVZSJERSA-N 378.881 3.917 30 40 GHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(OC)ccc2OC)S1 6870616 PBVNLLOVLZCRPE-PDGQHHTCSA-N 384.457 3.994 30 40 GHEB COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1CSCC(=O)O 7783603 SMCDDIWVZQHQBE-XBXARRHUSA-N 387.413 3.817 30 40 GHEB CC(C)Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 8883154 XSNCNBGTBMRJEN-UHFFFAOYSA-N 377.473 3.843 30 40 GHEB O=C(O/N=C/c1ccc(OC(F)F)cc1)[C@H]1CCCN1C(=O)c1cccs1 8986515 GEGZUCZATUGXJM-VPNURPJOSA-N 394.399 3.531 30 40 GHEB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1cccc(C#N)c1 9054426 PBPUOVJRMKMYCW-CQSZACIVSA-N 396.520 3.594 30 40 GHEB N#Cc1cccc(NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)c1 14171629 JXKPJRMDJBOAIF-UHFFFAOYSA-N 386.436 3.635 30 40 GHEB C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1 65453576 WDXITDLIICOKMK-HNNXBMFYSA-N 377.473 3.830 30 40 GHEB Cc1n[nH]c(C)c1/N=C/c1ccccc1OCC(=O)NCCc1ccccc1 101550073 YOXAUZNVHQTWME-ZVHZXABRSA-N 376.460 3.515 30 40 GHEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803414 GQRDYXVZAWFLSX-SELCWUDQSA-N 394.383 3.519 30 40 GHEB CN1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@H]1Cc1ccccc1 1186388432 RHEBSRUJWCJJOP-HXUWFJFHSA-N 385.471 3.504 30 40 GHEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cnccn1 2376995 JHJVQVVJWKKVIL-UHFFFAOYSA-N 388.294 3.976 30 40 GHEB COc1ccccc1/C=N/O[C@@H](C)C(=O)Nc1ccc(Br)cc1 2616185 WNONWSAYLXRDFF-MKFNJMOCSA-N 377.238 3.835 30 40 GHEB COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccc(OC)cc2)cc1 4935783 YLJGWZUYNXTAHG-LOVXZMAPSA-N 383.473 3.558 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 7194165 NPZHLILYVBJEGL-UHFFFAOYSA-N 382.445 3.985 30 40 GHEB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C#Cc2ccccc2)c1 12560701 BRDGTQSBKNHTBD-UHFFFAOYSA-N 397.477 3.735 30 40 GHEB N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3Br)CC2)cc1 14232042 QMFYUOLBNHAMRT-UHFFFAOYSA-N 398.304 3.669 30 40 GHEB CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@H]2CO1 33985684 MMOJJYPBNVVCGY-CTQGMABPSA-N 394.895 3.824 30 40 GHEB biogenic,in-vitro C[C@@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1ccc(OC(F)F)cc1 79071950 KOGWGTQAKPJOPF-GOSISDBHSA-N 382.313 3.657 30 40 GHEB Cc1nc(-c2ccccc2)sc1CNC(=O)C#Cc1ccc2c(c1)OCO2 84064711 NXCBBNYWNXASAN-UHFFFAOYSA-N 376.437 3.515 30 40 GHEB COc1cccc(OC)c1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 96456561 GJHCQBMKUUEVIG-DEDYPNTBSA-N 395.455 3.741 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@@H]2C[C@]1(C)Oc1ccccc12 100871348 IBEMTEADOXCYPF-RFWXGWTQSA-N 376.456 3.860 30 40 GHEB C=CCSc1nnc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)s1 224356227 ONWGSJRUQPWGTQ-UHFFFAOYSA-N 397.547 3.504 30 40 GHEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(CC)s2)S1 409092867 WKHKVZFXPAOUMK-RAXLEYEMSA-N 379.503 3.658 30 40 GHEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1 409104088 DIWQPVVERMZDDV-RGVLZGJSSA-N 380.364 3.752 30 40 GHEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3C[C@H](O)C4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC 1615640051 TUBKSKQGEKSECB-UTEVMKQISA-N 385.504 3.685 30 40 GHEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1F 2237480 QVCNWNMRJJHBKM-UHFFFAOYSA-N 388.493 3.986 30 40 GHEB COc1ccc(/C=N/n2c(C)nc3c([nH]c4ccc(Cl)cc43)c2=O)cc1OC 2349293 FGADILCUWKTYSI-LSHDLFTRSA-N 396.834 3.739 30 40 GHEB COC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 4047998 IDJDMCWJOQEZFW-SSDVNMTOSA-N 393.403 3.630 30 40 GHEB CC/C(=N\N=C1\N=C(O)[C@@H](CC(=O)NCc2ccccc2)S1)c1ccccc1 4664269 LXNYYIAMRCFMPJ-ZDSQJECRSA-N 394.500 3.935 30 40 GHEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCO2 5505636 WBVLTMFKVBNEJI-KPSZGOFPSA-N 398.253 3.697 30 40 GHEB Cc1sc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(C#N)c1C 12070259 SDXHHWVPQKYDDF-UHFFFAOYSA-N 376.503 3.600 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccccc2Cl)cc1 19904226 IMRYTTMQUYQWHT-SFHVURJKSA-N 399.830 3.701 30 40 GHEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 103087451 JNWONUIOFAKALT-YDJIHCHBSA-N 395.455 3.926 30 40 GHEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1cccs1 225142030 AFLCGWNATWVOTN-UHFFFAOYSA-N 385.894 3.960 30 40 GHEB O=C1CSC(=S)N1/N=C\c1ccc(-c2ccc(Br)cc2)o1 409328007 PBESTWKNRDEWBV-APSNUPSMSA-N 381.276 3.903 30 40 GHEB N/C(=N/OCc1ccc(-n2cccn2)cc1)c1cc(Br)cs1 84615342 DBIRCUWWURPQQX-UHFFFAOYSA-N 377.267 3.533 30 40 GHEB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1cccc(C#N)c1 96002685 BFLXJSNSUQNLNP-QGZVFWFLSA-N 378.398 3.507 30 40 GHEB C=CCOc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)NC1=O 6317498 QMMXJCUHTMQMOI-ATVHPVEESA-N 380.425 3.841 30 40 GHEB C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(OC)c1 4736346 BDSDXMCZQWWOFF-UHFFFAOYSA-N 386.521 3.681 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1cc(Cl)ccc1Cl 18116675 LQBGPZZCIJADRB-SFKFPXOQSA-N 386.304 3.637 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 18197364 KKCYZGXWRJZQED-SGTLLEGYSA-N 393.428 3.664 30 40 GHEB Cc1nc2ccccc2nc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]nc(O)c21 18200371 TYPKYOFQIHMDFH-INIZCTEOSA-N 375.432 3.568 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1 409308590 YZYACYSTGHMCOG-UHFFFAOYSA-N 399.292 3.670 30 40 GHEB CC1(C)CN(c2ccc(C#N)c(N)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 582855903 GERMLNBPKBKQOP-HNNXBMFYSA-N 376.382 3.911 30 40 GHEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 252612457 ITSYDHSEUJOBHG-UHFFFAOYSA-N 385.423 3.963 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccn1)n1nc(SCc3ccccc3)nc1N2 5374072 OOWTUOBQSNFQCP-IBGZPJMESA-N 389.484 3.987 30 40 GHEB C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5969046 CFDZSZUXRSLSRX-UHFFFAOYSA-N 380.444 3.520 30 40 GHEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)c1 575614287 YNADMVSCIXMVKY-QGZVFWFLSA-N 389.377 3.585 30 40 GHEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 6166298 PUMCGWKIDDDTMY-FHPQSQBYSA-N 380.396 3.808 30 40 GHEB biogenic CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 103087445 VOEZPYJAKKEGGZ-GHNGSUTGSA-N 398.390 3.956 30 40 GHEB C=CCn1c(-c2ccncc2)nn(CC(=O)Nc2ccccc2OCC)c1=S 8325624 IQALGBNYCXMYKT-UHFFFAOYSA-N 395.488 3.699 30 40 GHEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccc(F)c1 57291760 MFBWCQQBKMWKAL-UHFFFAOYSA-N 394.475 3.952 30 40 GHEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O 2341021 MQXQPJOKBGIUGT-HTIXJGPSSA-N 397.500 3.948 30 40 GHEB COc1cc(COC(=O)COc2ccc(C#N)cc2)cc(Cl)c1OC(F)F 12903510 KZHYGWPHKBUTKE-UHFFFAOYSA-N 397.761 3.944 30 40 GHEB CC(C)c1ccccc1-n1ccnc1SCC(=O)N(CCC#N)CCC#N 24090648 AYACIULIOAZRSS-UHFFFAOYSA-N 381.505 3.744 30 40 GHEB C#CCOc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409404895 RHRTXQPCIHTWMT-UHFFFAOYSA-N 379.419 3.958 30 40 GHEB COc1cccc(/C=N/NC(N)=S)c1OCc1ccc(Cl)c(Cl)c1 408891779 VGQGLAWZICDGQQ-DNTJNYDQSA-N 384.288 3.748 30 40 GHEB N#Cc1ccc(C(=O)OCc2ccc(I)cc2)c(F)c1 15009475 GFOQHMBEGJQRFX-UHFFFAOYSA-N 381.144 3.659 30 40 GHEB N#Cc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 10326408 QARIVGXLZHRXKJ-UHFFFAOYSA-N 383.451 3.835 30 40 GHEB C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc2c(c1)OCO2 957031 IGGMMXQRIWVOQA-UHFFFAOYSA-N 379.441 3.835 30 40 GHEB Cc1ccc(/C=N/Nc2nc(=O)[nH]c(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 39929964 BWNKDJKISAFDCI-SSDVNMTOSA-N 395.850 3.738 30 40 GHEB N#Cc1cccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 40046960 TYCDGDZIGGLYEW-UHFFFAOYSA-N 387.405 3.925 30 40 GHEB CC1CCN(C(=O)[C@H]2CCCN(c3oc(-c4ccccc4)nc3C#N)C2)CC1 41157767 UYTMZHWGRVWFPL-SFHVURJKSA-N 378.476 3.688 30 40 GHEB N#Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)cc2)c1N 65487471 BTRBITNBATXKRV-IRXDYDNUSA-N 377.835 3.722 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N/c3cccc4ccccc34)C(=O)NC2=S)cc1 100200323 VSNJYYYCZCJXAQ-ZMPUUUETSA-N 387.464 3.915 30 40 GHEB CC(=O)OC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)N(c2ccccn2)C1=O 1477140 QQCYMOCFUBXRAU-NRFANRHFSA-N 398.418 3.870 30 40 GHEB COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(OC(=O)N2CCOCC2)c1 5023877 MDUXUZGEPLUDKK-RUDMXATFSA-N 385.391 3.561 30 40 GHEB COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc2c1OCO2 8206939 KSINRHTZNICOHU-ZMOGYAJESA-N 399.406 3.683 30 40 GHEB Cc1csc([C@@H](C#N)C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)n1 12569120 GJAYBZPIJAOMSJ-JTQLQIEISA-N 390.471 3.938 30 40 GHEB O=C(O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccc(Cl)cc2)S1 13552527 PCYMBWIMOZWEHC-YGCDDZCOSA-N 388.876 3.989 30 40 GHEB CCOc1ccc(N2C(=O)/C(=N/Nc3ccccc3OC)SC2=S)cc1 17128906 RYHKOJHGLJFOPI-SILNSSARSA-N 387.486 3.884 30 40 GHEB CCOc1ccc([C@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)cc1 20150291 TVARNBDNDFMTRH-CYBMUJFWSA-N 378.457 3.931 30 40 GHEB N#Cc1cccnc1OC1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 96119292 RMDKWLZMEKHTQR-UHFFFAOYSA-N 381.501 3.897 30 40 GHEB N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)o2)cc1 409022421 NSAWXGRZEXQSNX-LDADJPATSA-N 399.431 3.650 30 40 GHEB COc1cc2c(cc1/C=N/c1cccc(I)c1)OCO2 409103548 CHJSAZSSPSVIKG-CAOOACKPSA-N 381.169 3.779 30 40 GHEB N#Cc1cn(CC(=O)N2CCc3ccccc3C2)c2ccc(Br)cc12 1100033 PWDIUJBERCLZSM-UHFFFAOYSA-N 394.272 3.860 30 40 GHEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)cc1 2358568 RDBCPKCDISODLP-UHFFFAOYSA-N 388.493 3.986 30 40 GHEB N#CCOc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1 2772630 MMKCFTKEGDUJPB-YBFXNURJSA-N 389.278 3.672 30 40 GHEB C[C@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@]1(C(=O)O)c1ccccc1 4728639 GZBLEGZPSIEDSO-BYIRMVLCSA-N 398.375 3.723 30 40 GHEB C/C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1 4754331 SYRBPCPCOAPKFR-KOEQRZSOSA-N 379.512 3.688 30 40 GHEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NC1CCCC1 6477224 HRHSOHQXLDCEGO-UHFFFAOYSA-N 386.521 3.502 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)CSc1c(Cl)cccc1Cl 7778705 USRHCCBANCLOBM-INIZCTEOSA-N 389.304 3.683 30 40 GHEB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 7987759 GIKBNTGGIZDTAP-CSKARUKUSA-N 387.439 3.955 30 40 GHEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3cccnc3)c(C)c12 8765516 JLUDPVBTIWALQF-UHFFFAOYSA-N 378.428 3.941 30 40 GHEB biogenic CC(C)c1ccc(-n2nnnc2SCC(=O)NC2(C#N)CCCCCC2)cc1 12745959 YHCKEBDEIQIASQ-UHFFFAOYSA-N 398.536 3.611 30 40 GHEB CCOc1ccc2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2c1 13000271 UVGLBRHRYIGHRE-UHFFFAOYSA-N 397.504 3.993 30 40 GHEB C=CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ncccn1 20729652 DKMHXEKXVCJDGH-SFHVURJKSA-N 393.472 3.960 30 40 GHEB CCOC(=O)NC(NCCc1ccccc1F)(C(F)(F)F)C(F)(F)F 20841562 JPGCARRWCMWTCC-UHFFFAOYSA-N 376.272 3.525 30 40 GHEB COc1cc(C#N)ccc1OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 21385040 UNCLAPQWHKBLCC-UHFFFAOYSA-N 377.375 3.600 30 40 GHEB CSc1nc(C2CC2)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c1C#N 33066678 JKNZMIKPZDMLNN-UHFFFAOYSA-N 378.457 3.690 30 40 GHEB CCOc1cccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 59105059 UHDDXXJVBQNXIF-BUVRLJJBSA-N 391.471 3.649 30 40 GHEB O=C1C=CC(=O)C2=C1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 104080575 ZGKZODKOAMGYRM-NXEZZACHSA-N 378.853 3.837 30 40 GHEB CCCCCCCCSC[C@H](O)CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104583089 XVCNYYCPAKHFJJ-SLFFLAALSA-N 392.609 3.722 30 40 GHEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224836527 WMAUAZZEJJZXBT-UHFFFAOYSA-N 383.828 3.632 30 40 GHEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1 408742022 OVRHDVDEZNEXHH-IEEVUCOHSA-N 392.267 3.760 30 40 GHEB C=CCN1C(=O)/C(=C/c2c(O[C@H](C)CC)ccc3ccccc23)C(=O)NC1=S 408903001 UCIPPCPEUBFRIZ-QFGUUYLXSA-N 394.496 3.830 30 40 GHEB CC1(C)CN(C(=O)c2ccnc(C#N)c2)[C@H]1C1CCN(Cc2ccccc2)CC1 584820514 UGRGCLCENAXTNL-QFIPXVFZSA-N 388.515 3.716 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nncs2)n(-c2ccc(F)cc2)c1C 12632987 RUIURZQGIPQVJQ-UHFFFAOYSA-N 387.465 3.687 30 40 GHEB C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O 100973353 YUCCAHCKZCZPQY-UYSITSMJSA-N 392.955 3.743 30 40 GHEB O=C1C[C@@H](c2cccc(Br)c2)C2=C(O1)C(=O)c1ccccc1C2=O 101602293 LJXCEQGNIJVVTO-AWEZNQCLSA-N 383.197 3.813 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1 3485322 JEBKZBXSUIBQMI-UHFFFAOYSA-N 380.473 3.871 30 40 GHEB COc1cc(/C=C/C(=O)c2ccccc2)cc(I)c1O 408623726 RRBMFCMHKSOBGO-BQYQJAHWSA-N 380.181 3.902 30 40 GHEB COc1ccc(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)cc1 95117245 YTJBSODIAXQBOO-MRXNPFEDSA-N 375.424 3.885 30 40 GHEB CCOc1cc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O 254375828 GBTFPMKRRRTCPR-UHFFFAOYSA-N 385.851 3.993 30 40 GHEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccn1 104089615 JFOMDIPUZZZKAL-PTGBLXJZSA-N 393.244 3.689 30 40 GHEB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)c1 22959453 QIRPNGSBTIDUBM-UHFFFAOYSA-N 383.450 3.647 30 40 GHEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccnc1 104718753 XDWQTHMSKIGYEO-PTGBLXJZSA-N 393.244 3.689 30 40 GHEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 10136620 GCGNAHYXWMQHNQ-SNVBAGLBSA-N 399.394 3.944 30 40 GHEB C=C(C)CSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12 12643551 VZNXUVTXJGANGK-UHFFFAOYSA-N 392.484 3.769 30 40 GHEB CCCOC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 33325295 CEVSTTJNVOTQJZ-SNVBAGLBSA-N 377.853 3.808 30 40 GHEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218405856 UDMMOBAGWUVIBG-GBESFXJTSA-N 375.877 3.826 30 40 GHEB C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 40155372 DWYAUIRXNPMMOS-KRWDZBQOSA-N 392.546 3.730 30 40 GHEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)S2)cc1 5695236 MDHXRSDCPWIQIZ-BOPFTXTBSA-N 384.457 3.863 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1F 11691961 COYZUBVWUMTXDO-UHFFFAOYSA-N 389.365 3.748 30 40 GHEB O=C1C=C/C(=N\C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C=C1Cl 15357155 HWGPQFXYUGIVOW-YHRNEYPQSA-N 384.844 3.525 30 40 GHEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8221900 IEVMLIZXPPQYAH-FBBHVMPDSA-N 390.779 3.989 30 40 GHEB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 10218523 KMLVFKFKBCYMAG-UHFFFAOYSA-N 388.514 3.610 30 40 GHEB COc1ccc(N2C(=O)C[C@@H](Sc3nc(CC(C)C)ccc3C#N)C2=O)cc1 778161 RXOZVAQMDRYKDI-GOSISDBHSA-N 395.484 3.585 30 40 GHEB N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1cccc(Cl)c1 2365166 ITBOVSZBQYWSAI-AWEZNQCLSA-N 378.240 3.975 30 40 GHEB COc1ccc(C(=O)C[n+]2c3c(c(C(=O)O)c4ccccc42)CCCC3)cc1 3206575 ZSQSRYDOASEDAD-UHFFFAOYSA-O 376.432 3.596 30 40 GHEB N#Cc1ccccc1CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 7007501 OSNHJFAOPAGFEC-UHFFFAOYSA-N 377.351 3.725 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3C)cc21 8959618 IFIBVEWAJDUJBC-UHFFFAOYSA-N 394.471 3.950 30 40 GHEB C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 12111574 QPGHZAIUCULVHW-IBGZPJMESA-N 377.396 3.547 30 40 GHEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(C[C@H](C)CC2=O)N1 20059190 VTJWJIFDCLPSOY-YEJXKQKISA-N 388.471 3.638 30 40 GHEB CC(C)c1nc(OCC(=O)NCCc2ccccc2)c(C#N)c2c1CCCC2 32100121 XYVMUCVUAWIQAG-UHFFFAOYSA-N 377.488 3.693 30 40 GHEB O=S(=O)(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccccc1 33860101 VBUXUIBABREPPX-NNWMPZTLSA-N 378.453 3.893 30 40 GHEB CCOc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c1O 33930600 NHMNOADPYIWEDG-DHDCSXOGSA-N 385.401 3.591 30 40 GHEB C=CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)S/C1=N/c1ccc(O)cc1 61878110 RJFWCGLEYWNSGE-HIASSRJUSA-N 377.425 3.505 30 40 GHEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CC)C1 72391177 GNTHBIHKSJEIJC-DEOSSOPVSA-N 391.515 3.612 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1 102804132 NZMJWTIECLRVGJ-WOOAAIBNSA-N 390.395 3.623 30 40 GHEB C=CCc1ccc(OCC(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)c(OC)c1 106149865 JEPBPCIQSFCMSC-BJLQDIEVSA-N 386.536 3.666 30 40 GHEB CCN(CC)C(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409141408 HWQZGKZJEMYRGT-UHFFFAOYSA-N 386.451 3.972 30 40 GHEB Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(C#N)cc2)o1 852479 SOPGQNYBKGQFFA-UHFFFAOYSA-N 380.429 3.560 30 40 GHEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 4119617 SBRHMXYKDZSSFM-PZJWPPBQSA-N 395.411 3.923 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 12781015 LXNHJRNUHLFVIB-UHFFFAOYSA-N 389.430 3.915 30 40 GHEB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 13653773 BEAIQVBIIQDBLO-ODLFYWEKSA-N 382.393 3.972 30 40 GHEB C/C(=N\O)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215094 JSXDQSHKRYGMCJ-TYEVOWRTSA-N 380.444 3.658 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 22608243 SIBRPEWKTLAKLL-QFYYESIMSA-N 392.381 3.964 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cnn(CC)c1 36631362 LXTRTPXMABBSDG-UHFFFAOYSA-N 396.520 3.641 30 40 GHEB Cc1csc(SCc2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)n1 71957003 GUVDWGXLORBZST-QGZVFWFLSA-N 375.544 3.873 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc5c(c4)OCO5)[C@H]3C[C@H]12 82051275 SGMJXGDUGJLFPJ-KEIDPVMYSA-N 383.488 3.819 30 40 GHEB O=C(/C=C1/NCCc2cc3c(cc21)OCCCO3)c1ccc(Br)o1 101087715 RKMJRJKKFNFFEK-JLHYYAGUSA-N 390.233 3.573 30 40 GHEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 118913981 WFZVFCIUAYURKP-WWSUJNAZSA-N 388.504 3.962 30 40 GHEB biogenic,in-vitro CCOc1ccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 409149763 QAUDFQPZWUPHIZ-LICLKQGHSA-N 389.324 3.646 30 40 GHEB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(C)(C#N)[C@H]1C(=O)N(c2ccccc2)N=C1C 100989741 MKNWARFTXNRPCG-WOJBJXKFSA-N 399.454 3.594 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 102873572 VGXMAOKIZFCFRX-SELCWUDQSA-N 383.444 3.645 30 40 GHEB COC(=O)C1=C(SC)N(c2ccc(OC)cc2)[C@H](c2ccccc2)CC1=O 707800 UUKKRSCMZAAIKV-KRWDZBQOSA-N 383.469 3.963 30 40 GHEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C#N)c1C 1964994 HGFLYRSYHCXKLR-UHFFFAOYSA-N 393.808 3.919 30 40 GHEB COc1ccc(C(=O)/C=C/c2ccccc2F)c(OC(=O)N2CCOCC2)c1 5024037 JZPKSRXPTRDMJX-RMKNXTFCSA-N 385.391 3.561 30 40 GHEB Cc1cc(N/C(=N\S(=O)(=O)c2ccc(F)cc2F)c2ccccc2)no1 4694071 GWYUVQLJAASBND-UHFFFAOYSA-N 377.372 3.509 30 40 GHEB C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccccn3)c(=O)oc2c1C 6624203 BCHQUHZELCNBAF-UHFFFAOYSA-N 392.455 3.619 30 40 GHEB biogenic C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(F)c1 4736316 VNMSOSPBYFGLPH-UHFFFAOYSA-N 393.447 3.799 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1cccs1)c1ccc(F)cc1 17860004 GABQEZRVLDYCJG-CYBMUJFWSA-N 387.417 3.522 30 40 GHEB C=CCn1c(SCC(=O)O)nnc1-c1cc2cc(Br)ccc2o1 72328129 ADNGOIOAMSCYSO-UHFFFAOYSA-N 394.250 3.817 30 40 GHEB N#Cc1c(/C=C/c2ccccc2)c(C(=O)O)nn(-c2ccc(Cl)cc2)c1=O 409194809 MWUUYBDYIGQNSI-IZZDOVSWSA-N 377.787 3.626 30 40 GHEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccc(F)cc1 408587440 FWZIAEUVECXFIY-HYBGDYFVSA-N 391.446 3.764 30 40 GHEB CN1CC[C@@H](O/N=C(\Cc2nc3ccccc3n2C(F)F)c2ccccc2)C1=O 584906930 PLNPBMPNIZJUSI-OAKZWBAKSA-N 398.413 3.626 30 40 GHEB Cc1cc(C)cc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1 4945455 AMFFFVAVIRUWRZ-UHFFFAOYSA-N 385.470 3.515 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)cc1 102508398 ILHJMMFOAKBKCJ-YDJIHCHBSA-N 396.462 3.508 30 40 GHEB CNC(=S)N/N=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 980737 XCRXGEWZCDWPKR-ZVBGSRNCSA-N 398.366 3.834 30 40 GHEB Cc1cc(SCC(=O)N[C@@](C)(C#N)C(C)C)n2c(nc3ccccc32)c1C#N 4269519 CFBVMJRQKQXTHQ-NRFANRHFSA-N 391.500 3.814 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3cc(Cl)ccc3C)c3n2CCC3)cc1 13787085 QKBDZUMARINYJL-UHFFFAOYSA-O 396.898 3.998 30 40 GHEB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC1(C#N)CCCCC1 6648358 PJZVFTVJPIPLDN-UHFFFAOYSA-N 379.460 3.605 30 40 GHEB COc1cc(Br)c(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1OC 408978116 HBXUPQQEIHUCBU-UHFFFAOYSA-N 388.265 3.691 30 40 GHEB N#Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 5569970 FSOGQQKCOOZWPD-UHFFFAOYSA-N 396.402 3.711 30 40 GHEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1C 8078806 BXUQDFUWNDYBQM-CMDGGOBGSA-N 387.432 3.730 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2cccc(Cl)c2)nc1 6408136 GSRNWJBMPVDTLY-DEDYPNTBSA-N 380.901 3.602 30 40 GHEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cccc(C)c21 32095252 GNEDMGJAZGKWHT-XMMPIXPASA-N 396.450 3.747 30 40 GHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccccc2OC)cc1 4904900 HBTJOZZZNCLKKN-LZKUZYFISA-N 383.473 3.558 30 40 GHEB C=CCc1cc(/C=N/c2cccc(C(=O)OC)c2C)cc(OC)c1OCC(=O)O 408844478 JITXBWGAFQASCX-FSJBWODESA-N 397.427 3.733 30 40 GHEB O=c1c2ccccc2nc(N/N=C/c2ccc3c(c2)OCO3)n1-c1ccccc1 4321514 XJMBYELPDXKZKN-YDZHTSKRSA-N 384.395 3.560 30 40 GHEB COc1cc(OC[C@@H]2CO2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 4040111 JDBIQBWDWQLNIH-PBHVKWCUSA-N 388.460 3.955 30 40 GHEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 820498 USAWICYEKMTHDM-HXUWFJFHSA-N 397.471 3.971 30 40 GHEB N#Cc1c(Cl)nsc1N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 52427767 SKPDJVGQSOUPEC-UHFFFAOYSA-N 397.287 3.882 30 40 GHEB N#Cc1c(N)nc2sc(C(=O)NC3CCCCC3)c(N)c2c1-c1ccco1 18198350 LBHLVGXVMWWBOV-UHFFFAOYSA-N 381.461 3.655 30 40 GHEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1OC 48492620 CNOTTWJDQLFNDX-NWDGAFQWSA-N 395.399 3.718 30 40 GHEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 409088350 LGILTSWAKUHIMF-WSDLNYQXSA-N 393.403 3.630 30 40 GHEB COc1ccnc(Oc2ccccc2)c1C(=O)/N=C\NOCc1ccccc1 13136931 GWNXDFDJFLUTRN-UHFFFAOYSA-N 377.400 3.772 30 40 GHEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1cccc(F)c1 4473152 RCBOCJCXFBQIMZ-BAOKRACBSA-N 375.400 3.555 30 40 GHEB CCOC(=O)COc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OC 409203090 WBPHIOASJOMAKN-JAIQZWGSSA-N 385.445 3.693 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)[C@@H](C)Oc1ccc(Cl)cc1)NCC2 5429276 UHNXCSKBFZCLPD-FDIDITGRSA-N 387.863 3.880 30 40 GHEB COc1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1ccccc13)c(C)n2C 5516551 IVCPJRWTVOFHOE-SSDVNMTOSA-N 385.431 3.761 30 40 GHEB C=CCCO[C@@H](C)C(=O)N1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 66319816 MEMRTZIWYVZAMA-ROUUACIJSA-N 382.545 3.852 30 40 GHEB Cc1cc(Br)ncc1NC(=O)CSCc1ccc(C#N)cc1 72306569 MYOCIVQCKXTXAP-UHFFFAOYSA-N 376.279 3.896 30 40 GHEB COc1cc(/C=N\OCc2ccccc2C#N)cc(Br)c1OC 408594618 UJGAVGMWVMDTIB-JMIUGGIZSA-N 375.222 3.889 30 40 GHEB CCOC(=O)COc1ccc(C(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 32912821 ZAUDNBGZPAFANG-WUXMJOGZSA-N 384.428 3.932 30 40 GHEB N#Cc1cccnc1OC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 96102858 IBFUJKNSLILTLR-UHFFFAOYSA-N 375.350 3.656 30 40 GHEB C=CCn1c(S[C@@H](CC)C(N)=O)nc2scc(-c3ccc(C)cc3)c2c1=O 60371619 QLYHPVFJIKITQI-HNNXBMFYSA-N 399.541 3.975 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)cc1 102508390 ILHJMMFOAKBKCJ-NHFXJNLRSA-N 396.462 3.508 30 40 GHEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(C2CCCCC2)C1=O 100975074 NUGIAONNPNZEHS-RUNIHZNKSA-N 380.535 3.726 30 40 GHEB COc1ccc(CCNc2oc(COc3ccc(OC)cc3)nc2C#N)cc1 730234 ACERWBCTVWVUEW-UHFFFAOYSA-N 379.416 3.797 30 40 GHEB Cc1nn(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)c(C#N)c1C 12773482 VAIVGPRVSJHTJV-UHFFFAOYSA-N 390.390 3.922 30 40 GHEB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(C)C3(C#N)CCCCC3)[nH]n2)cc1 11494573 QEQRVMPXYPDSKP-MRXNPFEDSA-N 394.475 3.615 30 40 GHEB N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 6720022 OZXGJGJFRKDGLC-UHFFFAOYSA-N 392.846 3.829 30 40 GHEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccccc1O 408752523 JJNXPZVPTIPXTO-VGOFMYFVSA-N 375.793 3.845 30 40 GHEB C=CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccccc1O 408603746 HBQGIAGLADCUEK-UHFFFAOYSA-N 382.401 3.709 30 40 GHEB COC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218392717 LTJKCXNQXUJMGF-QYZOEREBSA-N 375.877 3.745 30 40 GHEB N#Cc1cccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 44835789 CDZQYHNJODHYHN-UHFFFAOYSA-N 382.470 3.720 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cc1 12345096 QCEHALVFDBVSEW-SVGJNIJCSA-N 377.484 3.722 30 40 GHEB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2/C=N/O)c([N+](=O)[O-])c1 13747825 JCWAIKMUGIQHNH-VIZOYTHASA-N 382.126 3.866 30 40 GHEB COc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 14165044 ZTLBWIYVBPTPTQ-PSLIRLAXSA-N 378.354 3.574 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 13570355 VSSVFGJMNDYTEF-KRWDZBQOSA-N 396.424 3.836 30 40 GHEB Cc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)C[C@@H](C)CC4)C2=O)cc1 688183 PRNNTINGHVBPPU-IFXJQAMLSA-N 391.496 3.811 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCN1C(=O)c2ccccc2C1=O 7980431 GIKKEJNGVCKYGH-UHFFFAOYSA-N 388.876 3.602 30 40 GHEB CC(C)Nc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 9722837 NUZMVNSIZQZLIY-UHFFFAOYSA-N 393.563 3.901 30 40 GHEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2cccnc2)cc1 20060636 IPNNXYUZLKBAHR-UDWIEESQSA-N 382.401 3.541 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 9194267 YPNVUYNTXIEDTP-WLXWMWPUSA-N 386.451 3.797 30 40 GHEB Cc1cccc(C)c1NC(=O)CO/N=C(/N)c1cccc(CN2CCCCC2)c1 58157549 RPXQEZGZQJJJPS-UHFFFAOYSA-N 394.519 3.565 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 10266987 QYIPZAGWHSLKAQ-UHFFFAOYSA-N 377.372 3.622 30 40 GHEB COc1ccc(OCCSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238273 XCMBTKFPTCRVDE-UHFFFAOYSA-N 393.468 3.797 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(CC)c1C 5526070 VFXHHRRSLXURAZ-FQEVSTJZSA-N 385.508 3.687 30 40 GHEB C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 4816205 VOWSVAPYCBHBNF-UHFFFAOYSA-N 398.532 3.901 30 40 GHEB C[C@@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1cccc(C#N)c1 5937815 ZBDGHFAKYCQWEK-CQSZACIVSA-N 375.384 3.810 30 40 GHEB COc1cc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)ccc1OCC#N 9378876 NGTXPUYVLYIOEA-GOSISDBHSA-N 394.456 3.678 30 40 GHEB N#C/C(=N\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33676481 ANUINNMGSLTZAG-KGENOOAVSA-N 394.372 3.966 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c1C 12599626 OUHHATXXNPUFGC-CQSZACIVSA-N 392.550 3.708 30 40 GHEB C[C@@H]1CN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)C[C@@H](C)O1 12418836 XHPZTQHUJQBPQH-HUUCEWRRSA-N 379.416 3.999 30 40 GHEB COc1cc(C=O)cc(I)c1OCc1ccc(C#N)cc1 20156239 WOYMZJSMROVIBE-UHFFFAOYSA-N 393.180 3.563 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 4310853 JPKHVDNBRFISDP-LJQANCHMSA-N 398.890 3.788 30 40 GHEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C(\C)c1cccs1 5560109 BBGGBNMNZNUSAZ-SFQUDFHCSA-N 396.494 3.523 30 40 GHEB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 5787989 QUGUQWNPSSCBRD-QGZVFWFLSA-N 384.819 3.637 30 40 GHEB CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1 6078099 CTRWKXNCGOADFP-KRWDZBQOSA-N 383.473 3.723 30 40 GHEB CC(/C=N/NS(=O)(=O)c1ccc(Br)cc1)=C\c1ccccc1 13141823 OWWYAPLQCPPCRH-GTSFMQCKSA-N 379.279 3.817 30 40 GHEB Cc1cc(N2CCN(c3ccccc3O)CC2)n2c(nc3ccccc32)c1C#N 24949850 PHRUNAZSYUTGCH-UHFFFAOYSA-N 383.455 3.700 30 40 GHEB CCN(CC)C(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 32716387 YMTGJHVLBGVUBM-UHFFFAOYSA-N 381.501 3.650 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38855759 NZJCWKKIQMDXFI-SFHVURJKSA-N 395.478 3.592 30 40 GHEB O=C(NCC#CCN1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F 77197659 RNIJFFKTRMTHAW-UHFFFAOYSA-N 387.405 3.889 30 40 GHEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106728144 IECAKTIRRNQRMD-BOPFTXTBSA-N 395.396 3.734 30 40 GHEB C#CCOc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531383861 RHRTXQPCIHTWMT-KOEQRZSOSA-N 379.419 3.958 30 40 GHEB C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 3183678 WGAOBUJSNMDEEG-IBGZPJMESA-N 383.448 3.896 30 40 GHEB CCc1ccccc1NC(=O)[C@@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 6371726 IIRZPOIKPRSNPL-HNNXBMFYSA-N 378.815 3.899 30 40 GHEB C=CCOc1ccc(CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 29502424 SGSLHIZFVXMJCS-UHFFFAOYSA-N 379.420 3.508 30 40 GHEB N#Cc1ccsc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6549539 WKGPMLSJIRUSGV-UHFFFAOYSA-N 381.486 3.809 30 40 GHEB C[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O 4951493 DXTVORKQHSWALX-DUBOGLSMSA-N 384.480 3.746 30 40 GHEB C=CCN(c1ccc(C(=O)Nc2cccc(SC)c2)cc1)S(C)(=O)=O 408548224 QQFBNIVHUQBGIX-UHFFFAOYSA-N 376.503 3.613 30 40 GHEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccs2)cc1 16742390 RFTIEWWSLOYMOO-SFHVURJKSA-N 399.468 3.538 30 40 GHEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCc1ccccc1 18249849 KWOIUASUMXVCPZ-PXLXIMEGSA-N 378.432 3.688 30 40 GHEB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2sc3c(c2C#N)CCCC3)c1C 28249096 MPHAYCRQTJCWCX-UHFFFAOYSA-N 390.486 3.614 30 40 GHEB COC(=O)c1ccc(/N=C/c2ccc(O)c(I)c2)c(C)c1 408904093 DORXREUUQXJTPT-GIJQJNRQSA-N 395.196 3.842 30 40 GHEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408876171 NHSCNTBPTWJIPM-VBKFSLOCSA-N 398.871 3.736 30 40 GHEB O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccccc2)ccc1Br 409213662 VGBALUXKGZKHNU-SXGWCWSVSA-N 379.239 3.678 30 40 GHEB N#Cc1ccc(NCC(=O)NCCc2ccc(OC(F)F)cc2)cc1Cl 36394201 HIUYGNBGGXLRJU-UHFFFAOYSA-N 379.794 3.584 30 40 GHEB C=CCc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc12 1075313 KHFCATKNDXSCDO-UHFFFAOYSA-N 392.430 3.623 30 40 GHEB CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 4540802 ZXOJHURQNJGYEP-QFBILLFUSA-N 381.428 3.599 30 40 GHEB COc1cccc(/C=N/OCCOc2cccc(Br)c2)c1OC 5472224 GJPWFVWZDRGBAZ-XDHOZWIPSA-N 380.238 3.896 30 40 GHEB N#Cc1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 8315607 JJJHZVXDWIELAT-UHFFFAOYSA-N 378.428 3.637 30 40 GHEB CC(C)Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccncc1 8883190 PDESDBVBZLJEIZ-UHFFFAOYSA-N 377.473 3.843 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(O)c1)Nc1nonc1N2 12408559 BETPWRJQEJECOB-PIGZYNQJSA-N 380.429 3.816 30 40 GHEB COc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)NC2=O)c1 18284078 GZFJDUANXHCMMA-HNNXBMFYSA-N 389.864 3.597 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 102878945 PBXFQXYMXHPNJG-LFVOPCPISA-N 390.395 3.618 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)/C1=C(\O)c1cccs1 104182165 VDVGBRLVYCTSPD-SELCWUDQSA-N 376.437 3.765 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218056508 NAJCPNJCFQUMKQ-CEXWTWQISA-N 375.877 3.826 30 40 GHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 222316013 BXROBWWXAGKEMJ-ANFMWJBWSA-N 386.451 3.626 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 409092887 WOFWRMLSLFIBCR-FMNVXAMXSA-N 391.514 3.640 30 40 GHEB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 505941913 FNTWMLUOESUSFD-QRTARXTBSA-N 395.425 3.671 30 40 GHEB N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(-c4cncnc4)cc3)C2)c(F)c1 578019139 LLBCLMARLREKBB-KRWDZBQOSA-N 387.418 3.619 30 40 GHEB CCCCn1c(S[C@@H](C)C#N)nc2cc(S(=O)(=O)N(CC)CC)ccc21 6101571 HWPCFLTZJOFBFJ-AWEZNQCLSA-N 394.566 3.871 30 40 GHEB C=CCNC(=O)c1ccccc1SCC(=O)N[C@@H]1CCCc2ccccc21 3284716 HVHBAFAFXNJVPC-LJQANCHMSA-N 380.513 3.888 30 40 GHEB N#CCSc1ccccc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 6589966 LMOTVBLFIBPKRY-UHFFFAOYSA-N 391.452 3.888 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3C[C@H](C)O[C@H](C)C3)c2)c1 58140478 ZSHIBVLLTJCQCE-CALCHBBNSA-N 392.455 3.514 30 40 GHEB C=C(C)CN(CC)C(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 12885220 NRGFCJDUZGJDAE-CYBMUJFWSA-N 379.457 3.865 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102926752 PNNLDRIIJCCLAT-YDJIHCHBSA-N 388.398 3.843 30 40 GHEB CC(C)Oc1ccccc1/C=N/NS(=O)(=O)c1ccc(Br)cc1 2631895 OUIICKNULQVGQP-WOJGMQOQSA-N 397.294 3.549 30 40 GHEB C=CCn1c(SCC(=O)NCc2cccs2)nnc1C1CCCCC1 3485613 LBTXGLYYSXXYCD-UHFFFAOYSA-N 376.551 3.982 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C(C(=O)OCC)=C(C)N2 4292287 MTGLXDYJZNCJIX-MRXNPFEDSA-N 397.500 3.751 30 40 GHEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 4502359 VPZCMALSGWXYSO-VBKZILBWSA-N 376.416 3.604 30 40 GHEB CCOC(=O)c1ccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 6719377 ZWOBTOPGHBYHLJ-UHFFFAOYSA-N 383.473 3.689 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)o2)n(Cc2ccco2)c1C 9647638 MSYLCVHAHBNRPW-UHFFFAOYSA-N 397.460 3.609 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC 1276364 HDLQKEKTQTTWGA-UHFFFAOYSA-N 397.456 3.526 30 40 GHEB COc1ccc(NC(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1 4881226 DHPRUSZBLPGILL-UHFFFAOYSA-N 375.432 3.657 30 40 GHEB O=C(O/N=C(\c1ccccc1)c1ccncc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5515159 GDLGUXPJXHMVPB-DYTRJAOYSA-N 392.327 3.507 30 40 GHEB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 7853933 OXYJAVSWVSIBQY-MRVPVSSYSA-N 379.898 3.757 30 40 GHEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)C2=O)cc1 8992365 JDPYCPPOJMKLGF-BYINCCNUSA-N 393.439 3.642 30 40 GHEB CC(C)c1ccccc1OCC(=O)OCC(=O)N(CCC#N)c1ccccc1F 20974597 ZNSWOHRIWFRQRV-UHFFFAOYSA-N 398.434 3.818 30 40 GHEB C=CCOc1c(Br)cc(CNC[C@@H](O)c2ccccc2)cc1OC 22076661 CTRSVYBCCFVISJ-QGZVFWFLSA-N 392.293 3.846 30 40 GHEB CCOc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 22608237 SIBRPEWKTLAKLL-QLJPJBMISA-N 392.381 3.964 30 40 GHEB COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C#N)cc1 58214259 SUCDBKFGVADEQI-MRXNPFEDSA-N 377.227 3.851 30 40 GHEB CCOCCC/N=C(/NCCc1ccccc1C)NCc1ccc(OC)cc1 58308709 RMLNYRHFZHBHCK-UHFFFAOYSA-N 383.536 3.708 30 40 GHEB Cc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)cc1[N+](=O)[O-] 409057705 WBHXSKGJXWFECY-IXMFVRRYSA-N 397.412 3.835 30 40 GHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409316495 YGIYWACXXVAARN-UHFFFAOYSA-N 395.260 3.865 30 40 GHEB CC(=O)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409400776 AXTQJHIBYBSCQU-UHFFFAOYSA-N 383.407 3.871 30 40 GHEB COc1cc(/C=C/C(=O)OCC(=O)c2c(C)cc(C)cc2C)ccc1OCC#N 3346406 MQKQYNDXAZWLTM-SOFGYWHQSA-N 393.439 3.962 30 40 GHEB C=CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)OCC)=C1C 3418956 FWABOIKKXGICPK-HNNXBMFYSA-N 379.254 3.539 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)c1 5408836 BWXXALLNWJRZTR-SFHVURJKSA-N 379.368 3.660 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1 6638427 HLKZTWZTVPKYKE-UHFFFAOYSA-N 391.452 3.636 30 40 GHEB N#CCc1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 7832154 DHPRRLLQBHVRJD-UHFFFAOYSA-N 389.484 3.942 30 40 GHEB CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC 7932076 WKNIGEAXFXEXJK-LDADJPATSA-N 392.437 3.602 30 40 GHEB N#Cc1c(NC(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)sc2c1CCCC2 8020877 NQBASQHPDFFCGU-HNNXBMFYSA-N 386.860 3.872 30 40 GHEB COc1cc(OC)c(OC)cc1/C=N/Nc1ncnc2c1[nH]c1ccccc12 8684755 UUSXKNMFQAMKGL-AUEPDCJTSA-N 377.404 3.583 30 40 GHEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/Nc1nc(C)cc(COC)c1C#N 17081007 YCATVYUVHRQNMM-WSDLNYQXSA-N 396.451 3.609 30 40 GHEB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1sc(C)c(C)c1C#N)C2=O 25126952 SIMLXOITIWBXFM-UHFFFAOYSA-N 381.457 3.560 30 40 GHEB N#Cc1cnn2c(O)cc(CSc3ncc(-c4ccccc4)n3C3CC3)nc12 40127847 KJTWLIQTNSRQMC-UHFFFAOYSA-N 388.456 3.797 30 40 GHEB COc1ccccc1-c1n[nH]c(/N=C(\O)Cn2ccc3c(OC)cccc32)n1 95479716 YMVNUTDBMQHELB-UHFFFAOYSA-N 377.404 3.732 30 40 GHEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218406827 UBBKURRLBHUXDA-FHWLQOOXSA-N 375.877 3.826 30 40 GHEB CCOC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218572944 RGWGKRYTQJXCPT-QYZOEREBSA-N 393.867 3.965 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O 409058133 ROVZRASETOOZSQ-GZTJUZNOSA-N 381.409 3.711 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br 409124541 KVXFJBOBUKSDFB-GXDHUFHOSA-N 398.278 3.697 30 40 GHEB CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 596895612 VUKXPXTWTQCQPH-GFCCVEGCSA-N 384.402 3.699 30 40 GHEB C=CCNC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 2485387 QDAALDPOVSBMDQ-UHFFFAOYSA-N 379.407 3.655 30 40 GHEB C=CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21 2493112 OYGQPQVEAMHTJJ-KRWDZBQOSA-N 392.274 3.504 30 40 GHEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 6647638 FPMKVTWFSPWOMI-NRFANRHFSA-N 390.830 3.727 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 6898527 NHAGQDVKEMNWNU-UHFFFAOYSA-N 396.487 3.701 30 40 GHEB CCOc1ccc(OCc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)cc1 8324335 UXXNCVCCSJMTOK-AWQFTUOYSA-N 394.403 3.957 30 40 GHEB COc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 9050975 ROMKODBNXCDMDR-SOFYXZRVSA-N 389.201 3.940 30 40 GHEB C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 23010307 RYGSUJGMVBVWTM-ZNKOEICNSA-N 376.500 3.814 30 40 GHEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)cc1OC 64695998 HOBBZCNZDAPFGI-UHFFFAOYSA-N 387.816 3.580 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 66088882 YTRYLKAOSBNSEM-FQEVSTJZSA-N 395.455 3.700 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc(OC)c(OC)c2)C1=O 78800620 AIDDYQIJZQNJSQ-QGOAFFKASA-N 395.411 3.531 30 40 GHEB Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1 79436664 XQHWUSIZDJTLCC-SFHVURJKSA-N 389.473 3.502 30 40 GHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225039773 JXZCFPJLEQOVHG-UHFFFAOYSA-N 376.434 3.763 30 40 GHEB COc1ccc(Cn2nc(Cc3ccc(Br)cc3)c(C#N)c2N)cc1 225847946 AVJKDCNEHNELDA-UHFFFAOYSA-N 397.276 3.747 30 40 GHEB C=CCOC(=O)c1ccc(OCc2cccnc2)c(I)c1 226321166 UWZXUDJSFBBWDS-UHFFFAOYSA-N 395.196 3.608 30 40 GHEB Cn1cc(/C=C2\SC(=Nc3cccc([N+](=O)[O-])c3)NC2=O)c2ccccc21 408820551 WXLCIEZVYZVOMG-MFOYZWKCSA-N 378.413 3.978 30 40 GHEB O=C(O)c1cccc(COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cn2)c1 408912670 RMHDLCOIPAATGR-JJFYIABZSA-N 392.371 3.713 30 40 GHEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O 409286191 YDVMCUIWATXMAC-UHFFFAOYSA-N 386.249 3.870 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 409365162 XMKFYESBXSSFPF-UHFFFAOYSA-N 394.434 3.987 30 40 GHEB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 528966006 UJAYZJKLLPRQOL-KSFYIVLOSA-N 395.434 3.965 30 40 GHEB C=CCN(CC=C)C(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 2642409 GFOCOXXAPIIZKH-UHFFFAOYSA-N 379.485 3.634 30 40 GHEB CCOc1cc(/C=C/C(=O)OCC#N)ccc1OCCOc1ccc(F)cc1 3280837 SYEBQUXCXUUJRM-ONNFQVAWSA-N 385.391 3.762 30 40 GHEB CCOc1ncccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 3359028 VXOQWNQSFKFGRX-UHFFFAOYSA-N 397.485 3.748 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4ccccc4)nc13)O2 5351177 HBHMCAPAWFESGX-GOSISDBHSA-N 384.395 3.916 30 40 GHEB C=CCNc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)s1 5618709 BAACZBWUBIBARR-UHFFFAOYSA-N 389.550 3.857 30 40 GHEB COc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1Cl 5862032 WLFDCSXIYVGFLS-UHFFFAOYSA-N 394.814 3.616 30 40 GHEB Cc1sc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c(C#N)c1C 8748354 ADJWYPGTEOODKR-UHFFFAOYSA-N 397.529 3.669 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(OC)c3)cc21 8959587 IDCCQOXRFTVDEZ-UHFFFAOYSA-N 380.444 3.885 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)o1 14152581 KLAPTOBQCASTLP-UHFFFAOYSA-N 384.848 3.916 30 40 GHEB CCN(CC)/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 21487018 ZWBKYURZCFEEBE-HTXNQAPBSA-N 395.322 3.926 30 40 GHEB N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 70929269 DQQIBCNPCCTVKK-UHFFFAOYSA-N 389.286 3.906 30 40 GHEB C=CCc1cccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1O 252140028 GSMLUUQUTSQDJF-RXVVDRJESA-N 376.504 3.773 30 40 GHEB Oc1ccc(Br)cc1C=Nn1c(S)nnc1C1CCCCC1 253616985 MIZWXMCMOPAWGQ-UHFFFAOYSA-N 381.299 3.965 30 40 GHEB C[C@H](Oc1ccc(/C=N\c2ccccc2I)cc1)C(=O)O 408860275 ZPWPZPSNOBHDOJ-TZQXVGBESA-N 395.196 3.894 30 40 GHEB Cc1cccc2c1N(C)C(=O)/C2=C1\S/C(=N/c2ccccc2Cl)NC1=O 4470419 GCCIKRPOPXAZHN-PEZBUJJGSA-N 383.860 3.887 30 40 GHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 5923799 BSUHBANPVPNETD-MRXNPFEDSA-N 397.500 3.845 30 40 GHEB N#Cc1c2c(c3c(c1NC(=O)CSc1ncccn1)CCCC3)CCCC2 12360663 PJZHISSPYXHFJP-UHFFFAOYSA-N 378.501 3.837 30 40 GHEB Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/C2CCCCC2)NC1=O 21132946 WGGXMIAXJDPSKS-OAHLLOKOSA-N 379.913 3.897 30 40 GHEB C[C@@H](C#N)CNc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 72307608 WHQCJYYIEFGTMO-NSHDSACASA-N 394.840 3.621 30 40 GHEB CC(C)n1cc(C#N)c(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)n1 72310525 ORGFNVSHVCBLSD-UHFFFAOYSA-N 384.827 3.610 30 40 GHEB CCNC(=O)COc1ccc(/C=C2/CSc3ccccc3C2=O)cc1OC 96792493 JHUAEUWUMHDQJB-GDNBJRDFSA-N 383.469 3.582 30 40 GHEB N#C[C@@]1(C(=O)O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218469314 YOKFVECABJTTSG-HLLBOEOZSA-N 396.251 3.528 30 40 GHEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223196499 IHBWUIGMMKTQBL-OAQYLSRUSA-N 382.479 3.868 30 40 GHEB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCCN(c2ccccc2C#N)CC1 52801363 RQUGGYQAUKZIRE-KRWDZBQOSA-N 380.467 3.545 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)cc2O)nnc1-c1cccc(C)c1 3546211 QHVLFMTXFBORKK-UHFFFAOYSA-N 381.457 3.826 30 40 GHEB N#CCCn1cc(C(=O)CSc2nnnn2C2CCCC2)c2ccccc21 9339164 CUUOXJWZNPZRAV-UHFFFAOYSA-N 380.477 3.632 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 6781565 ISMLOQJFUYBSTC-SFHVURJKSA-N 383.444 3.802 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 4865244 VNCJUQVTYRJBIQ-SFHVURJKSA-N 387.382 3.580 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)cc1 5860764 FIMHSOQCZMIDQR-MRXNPFEDSA-N 397.500 3.844 30 40 GHEB Cc1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)nc2ccccc12 174585213 XTEFJRWDGMZKRS-UHFFFAOYSA-N 386.455 3.628 30 40 GHEB O=C[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 225645370 UVMUYCQDYVHVMJ-ARFHVFGLSA-N 399.693 3.857 30 40 GHEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)s1 139225356 IHAXMJYUAXJQKG-CBFBWWQMSA-N 395.893 3.886 30 40 GHEB CCc1nc2ccccc2n1CCC(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1137430257 JCDISFRJABCZJE-UHFFFAOYSA-N 398.470 3.567 30 40 GHEB CCc1ccc2[nH]c3nc(N/N=C/c4cc(Cl)cc(OC)c4O)nnc3c2c1 6168944 ARSJZGQSAVRYSE-ZVBGSRNCSA-N 396.838 3.882 30 40 GHEB CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 4573030 ZBBCKETUHHUOEP-SLNYWTKHSA-N 383.473 3.675 30 40 GHEB N#Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 842013 DLXCLHSEPXIXHC-BBITVKMKSA-N 376.415 3.955 30 40 GHEB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C=O)c2ccccc21 852716 PBIOYGUVAXOEOW-QQNJPBSNSA-N 393.442 3.745 30 40 GHEB biogenic CCc1nnc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)s1 1354287 PSVBRWJCEXZRIY-UHFFFAOYSA-N 383.502 3.868 30 40 GHEB COc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)c(OC)c1OC 4598222 CGVKXFCBOGHRMM-CSKARUKUSA-N 396.395 3.724 30 40 GHEB biogenic C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc2ccccc12 7718426 ZDPCHSINNJFMFS-INIZCTEOSA-N 387.439 3.576 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 8471585 MCULMKJAOXJSFM-HNNXBMFYSA-N 379.489 3.954 30 40 GHEB C=CCn1c(C)nnc1SCC(=O)c1ccc(OC)c(Br)c1 8745161 KIJRQMYRHUDKTB-UHFFFAOYSA-N 382.283 3.519 30 40 GHEB N/C(=N\OC(=O)[C@H]1C[C@H]1c1ccccc1F)c1cccc(Br)c1 8986384 KTHBXOVWKFZTNS-KBPBESRZSA-N 377.213 3.555 30 40 GHEB C=CCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2 19016083 RWXGDSOEHTYXKH-UHFFFAOYSA-N 375.451 3.834 30 40 GHEB C[C@@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 32867635 BJUFVGNPYHREIP-MRXNPFEDSA-N 398.434 3.862 30 40 GHEB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 33927674 PETNFBGKQHMUCD-JJFYIABZSA-N 393.403 3.769 30 40 GHEB CCc1nnc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)s1 35289026 QNQJKZZBBTVHPL-UHFFFAOYSA-N 383.502 3.868 30 40 GHEB O=S(=O)(/N=C(\O)CCc1nnc(-c2ccsc2)o1)c1ccc(Cl)cc1 48417841 NFDGNJDYZWRMHL-UHFFFAOYSA-N 397.865 3.730 30 40 GHEB O=C1/C(=N\Nc2ccccc2)c2cc(Br)ccc2N1C1CSC1 223760886 KBVHODCAHNAVGI-SILNSSARSA-N 388.290 3.727 30 40 GHEB COc1ccc(-c2nnc(S/C(=N/Nc3ccc(C)cc3)C(C)=O)n2C)cc1 1297413 BYDMGZKSFHQOHZ-FCDQGJHFSA-N 395.488 3.906 30 40 GHEB N#Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 47261968 BYAQYOPQPMKAHM-INIZCTEOSA-N 399.292 3.566 30 40 GHEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OCCOC 4950114 RXLSGULDKCXUHM-QGZVFWFLSA-N 398.507 3.833 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1 17138064 NVKACLISHJFLBN-FQEVSTJZSA-N 395.455 3.618 30 40 GHEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OCC)c1O 409230966 HIRKQGTYLXIVGN-XDHOZWIPSA-N 392.455 3.921 30 40 GHEB N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 618852855 XUXRXCHRPYRJBY-UXHICEINSA-N 398.470 3.877 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)c(OC)c1 5444142 FHNHAVNSXULVOF-FQEVSTJZSA-N 395.455 3.938 30 40 GHEB COC(=O)C(C(=O)CSc1ccc2ccccc2n1)=C1Nc2ccccc2N1 5626832 NBWYAUGSONAOGZ-UHFFFAOYSA-N 391.452 3.818 30 40 GHEB N#Cc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)c1 12821441 XHHYTZDWXNCTCE-UHFFFAOYSA-N 375.407 3.935 30 40 GHEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3ccc(F)cc3)o2)[nH]c(=O)c1C#N 6160484 MUGFHSBVXITYSR-SOFGYWHQSA-N 395.346 3.871 30 40 GHEB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccccc4F)nc3C#N)CC2)cc1 12418321 DIOMLWMBASDXNH-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 32769028 HEQKAKOOQUIYHP-NHCUHLMSSA-N 395.499 3.763 30 40 GHEB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)CCC#N)c3N2)cc1 3012714 ANWXADMDEGGNNS-HZPDHXFCSA-N 391.397 3.838 30 40 GHEB Cc1nc(SCCCn2c(=O)[nH]c3ccccc32)c(C#N)c2c1CCCC2 4562444 HAAQDPWUXXAPJE-UHFFFAOYSA-N 378.501 3.966 30 40 GHEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 5016786 VWGPTYDLTADNLX-GZTJUZNOSA-N 397.814 3.714 30 40 GHEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccn3)c(=O)oc2c1C 6719176 YTNDYJNZHQSQAW-UHFFFAOYSA-N 378.428 3.941 30 40 GHEB N#Cc1ccccc1NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 8130504 RFCZWXFOSKKTEN-UHFFFAOYSA-N 385.423 3.506 30 40 GHEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccccn3)c(=O)oc2c1 9061170 KKJSQAPHXPIZAD-UHFFFAOYSA-N 392.455 3.700 30 40 GHEB CCc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 9110127 JWPXIVWVMGMUSJ-IEBWSBKVSA-N 388.467 3.724 30 40 GHEB CCCC/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CCCC 12042574 MSSPDEHKDPSLJC-SGRLSNSRSA-N 391.537 3.924 30 40 GHEB Cc1cc(NCc2ccc(-n3ccnc3)nc2)n2c(nc3ccccc32)c1C#N 12630120 VJUBNTPINQMWEW-UHFFFAOYSA-N 379.427 3.860 30 40 GHEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1 17145956 GLTGZJUPUNXXEF-VIOKTNGOSA-N 383.407 3.659 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2c(C#N)cnn21 44890147 HKTQNQFSLMXTNM-HXUWFJFHSA-N 385.427 3.691 30 40 GHEB COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 95458873 LMWDXOXCGAOZFF-SFHVURJKSA-N 386.492 3.545 30 40 GHEB CCCCCCCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 101461912 HCWMWUDVTLKCGA-UHFFFAOYSA-N 386.521 3.935 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964756 JNLNDIDRKFWDLW-UHFFFAOYSA-N 396.852 3.947 30 40 GHEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)=O)cc3C#N)CCCC2)cc1 225754808 PBAWPBUIFFMFGF-UHFFFAOYSA-N 378.428 3.943 30 40 GHEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1 409097844 NQUYCUPGIWPPJG-VXLYETTFSA-N 383.320 3.613 30 40 GHEB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 409200571 IGQAWPBEGATMGY-BHQGYJNKSA-N 393.465 3.701 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/CCCCc3ccccc32)nc1 7777931 MVBXFPFHCRQWDX-QOCHGBHMSA-N 386.521 3.655 30 40 GHEB O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1Br 1424976 RUUUAMSXXCEPOE-XDHOZWIPSA-N 390.237 3.945 30 40 GHEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)O1 102970762 QFNSZRXIILIRGB-CHHLAKQQSA-N 398.418 3.768 30 40 GHEB CCOc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OC(F)F 8340190 WXTLXJFFUDMJBI-DJKKODMXSA-N 380.376 3.709 30 40 GHEB N#Cc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc1 61719587 GXRZOBIFXVRVBY-CQSZACIVSA-N 375.359 3.660 30 40 GHEB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 5947745 UTXZJTAWXBLHTP-YBFXNURJSA-N 398.422 3.883 30 40 GHEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)COc3ccc4ccccc4c3)C2)c1 575614302 YQPIKXDHMDRQPK-OAQYLSRUSA-N 387.439 3.555 30 40 GHEB C=CCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 2407696 GCSUTNWOCBASMU-UHFFFAOYSA-N 398.875 3.839 30 40 GHEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1)CCC2 215710557 QIBGLYQGUVHGAL-UHFFFAOYSA-N 378.379 3.587 30 40 GHEB COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc1OC 20518838 GANPRVIPMGOABO-UHFFFAOYSA-N 385.427 3.867 30 40 GHEB C=CCn1c(SCC(=O)OCCCCC)nc2sc3c(c2c1=O)CCC3 4785565 CQYGMUUYELJESO-UHFFFAOYSA-N 392.546 3.958 30 40 GHEB COc1ccccc1-c1nnc(SCC(=O)NCCC#N)n1C1CCCCC1 6140771 XHPZDSFBTRVNHZ-UHFFFAOYSA-N 399.520 3.581 30 40 GHEB CCOc1cc(/C=N/Nc2cccc(C(=O)O)c2)cc(Br)c1O 6613917 GHVFPFYKEKIJFQ-GIJQJNRQSA-N 379.210 3.698 30 40 GHEB COc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CCCC2 12324245 IUSZFAHUDLFNEO-UHFFFAOYSA-N 379.460 3.982 30 40 GHEB Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)o1 13682382 ZNAGURLRIQLVHW-ODLFYWEKSA-N 382.393 3.972 30 40 GHEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)c1 20719391 XEIDPQDNCQZQQV-KPZWWZAWSA-N 378.388 3.651 30 40 GHEB C=CCn1c(C)cc(C(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1C 27545089 HBUWBZFACPKMBX-UHFFFAOYSA-N 395.551 3.518 30 40 GHEB C=CCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CC 29866214 ROFMZZCGDVKJHT-UHFFFAOYSA-N 385.514 3.539 30 40 GHEB C=CCN1CCN(C(=O)CC(C)C)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351858 IYTUPUJXZPUUEL-JOCHJYFZSA-N 391.515 3.563 30 40 GHEB N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc2c(s1)CCCCC2 103505201 VRTXZYMXRAYVJQ-OAHLLOKOSA-N 396.468 3.749 30 40 GHEB CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408729398 BESBGKQBZYPTKE-MRXNPFEDSA-N 375.768 3.725 30 40 GHEB COc1cc2c(cc1/C=C1/SC(=Nc3cccc(Cl)c3)NC1=O)OCO2 409064714 FLPNJVMJCRORFH-OMCISZLKSA-N 388.832 3.969 30 40 GHEB O=C1/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 4578369 ILSGMDAKIPBSQA-ATJXCDBQSA-N 385.383 3.814 30 40 GHEB COC(=O)COc1cccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1 4723701 OCYLPXCFIWIBSS-WQRHYEAKSA-N 396.468 3.747 30 40 GHEB COC(=O)N1C(=O)/C(=N\c2ccc(F)cc2)c2cc(Br)ccc21 5511014 SNPAQWAUVUFRGP-RGEXLXHISA-N 377.169 3.822 30 40 GHEB CCOc1cc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)ccc1O 6024755 RTNQICFWOLIDQP-HFENLWAASA-N 375.475 3.623 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C#N)c1 6681158 UXJWGKRAMWSPTH-UHFFFAOYSA-N 397.481 3.697 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccncc1 6907615 FDVZBXWNFFGFEK-UHFFFAOYSA-N 387.415 3.535 30 40 GHEB C=CCN(CC=C)C(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 7440926 OJTGDHZFHPDNPC-UHFFFAOYSA-N 376.412 3.852 30 40 GHEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 7858376 VVAIGAPPXSHLPY-LLVKDONJSA-N 375.222 3.735 30 40 GHEB C=CCn1c(SC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 20813844 HRWDEHYVFFXDDT-UHFFFAOYSA-N 383.542 3.924 30 40 GHEB C=CCSc1nc2ccccc2n1CN1CCN(C(=O)c2ccccc2)CC1 23409045 MGGFKSQJNRLENF-UHFFFAOYSA-N 392.528 3.730 30 40 GHEB Cc1cc(S(=O)(=O)/N=C(\N)c2cc(Cl)nc(Cl)c2)c(C)cc1Cl 33376835 SYHRNDJTZHDJRP-UHFFFAOYSA-N 392.695 3.753 30 40 GHEB C=CCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 37866185 VGHHUCJSBOPGDJ-IBGZPJMESA-N 391.456 3.656 30 40 GHEB Cc1cc(C(=O)C[n+]2cc(Cl)n(C)c2)c(C)n1-c1ccc(OC(F)F)cc1 48236295 YCFMZHLHUSDLDW-UHFFFAOYSA-N 394.829 3.858 30 40 GHEB O=C1CCCC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)c3ccccc3C1=N2 96307126 QRCWIPYHIWGVDI-UYAOXDASSA-N 388.379 3.707 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc2ccccc12 102798935 PVUXOXPSZBIGCP-JBCNATCCSA-N 387.435 3.908 30 40 GHEB Cc1ccc(COc2cccc(C=Nn3c(O)nc4ccccc4c3=O)c2)cc1 409359761 NMWAXSQLVJBQCJ-UHFFFAOYSA-N 385.423 3.872 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1cccn1-c1ccc2ccccc2c1 409365819 YQVIVNLSXOIKHK-UHFFFAOYSA-N 380.407 3.928 30 40 GHEB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2cccc(C#N)c2)CC1 1889035064 GASNOPAEKUSEKI-UHFFFAOYSA-N 390.462 3.628 30 40 GHEB C/C(Br)=C(/Br)C[N+](C)(C)CC(=O)c1ccccc1 1777021 CLTQBZMMNRIHDA-QBFSEMIESA-N 376.112 3.967 30 40 GHEB C=C(Br)CNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 58380594 GMNWWRVTABCNQW-UHFFFAOYSA-N 385.265 3.582 30 40 GHEB O=C(C[C@@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cccc(C(F)(F)F)c1 21132984 PRSHIXLGSALIIA-AWEZNQCLSA-N 399.438 3.954 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(Cc4ccccc4)nc13)O2 5345676 LEKKIHMRANGPNP-FQEVSTJZSA-N 398.422 3.840 30 40 GHEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(OC)cc(OC)c1 4943534 DDJALBGIPCDDET-UHFFFAOYSA-N 393.443 3.891 30 40 GHEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(N(C)C)cc2)cc1 4909406 TYYYDUMAIAMRJT-SCYAOSPGSA-N 396.516 3.615 30 40 GHEB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18197886 FPBSBFFSDHVHES-DIFFPNOSSA-N 381.823 3.522 30 40 GHEB Cc1c(/N=C2\S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2C)cccc1C(=O)O 408932385 WNEOCBXXQQBUIB-SMFDUERQSA-N 397.412 3.835 30 40 GHEB CN1C(=O)S/C(=C\c2cc(Cl)c(OCC#N)c(Br)c2)C1=O 408811250 ALPGHOGCHCEDLP-POHAHGRESA-N 387.642 3.671 30 40 GHEB Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cnn1-c1ccccn1 603764913 QOONWCSBZYXLQA-UHFFFAOYSA-N 396.410 3.887 30 40 GHEB Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)c1 13097618 UYRYELLHADFBBR-UHFFFAOYSA-N 399.516 3.807 30 40 GHEB CCOC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 5898119 WQSBNMWAUUTUDN-YZFGBBDKSA-N 380.396 3.810 30 40 GHEB biogenic CCc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102642967 PFMUDPMODDBDTL-OCOBEBHTSA-N 397.496 3.911 30 40 GHEB Cc1ccc(-n2nnnc2SCC(=O)Nc2sc(C)c(C)c2C#N)cc1C 4231359 HYEYTAICYNXNDF-UHFFFAOYSA-N 398.517 3.560 30 40 GHEB aggregator C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1[C@@H](C)c1ccccc1 4860717 XFNNSDBMFXWOEV-AWEZNQCLSA-N 382.489 3.850 30 40 GHEB COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2C)c(OC)c1 4934932 GOEHRYBRCFHAFZ-FJWAFCRKSA-N 397.500 3.866 30 40 GHEB CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccco1 3355315 DTZQFPPFGWBYEJ-UHFFFAOYSA-N 399.501 3.711 30 40 GHEB COCCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O 3553091 QWGCGXLKJQHGSD-UHFFFAOYSA-N 375.450 3.526 30 40 GHEB COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 8321641 OXOLBWSVXGTSGB-VGOFMYFVSA-N 385.485 3.766 30 40 GHEB N#Cc1ccc(COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 6438230 ZNXSHBVQHBRVRW-UHFFFAOYSA-N 398.465 3.778 30 40 GHEB CCN1CCN(c2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)CC1 8654595 FUXSGSZTAFLMFZ-UHFFFAOYSA-N 392.459 3.836 30 40 GHEB Cc1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c(C#N)c1C 22918754 FGHZZJVAPNFMFH-UHFFFAOYSA-N 391.518 3.518 30 40 GHEB Cc1ccc(C(=O)O/N=C/c2c(N3CCOCC3)n(C)c3ccccc23)cc1 1389825 TWWILJHCLWPXSB-HZHRSRAPSA-N 377.444 3.514 30 40 GHEB Cc1ccc2c(COC(=O)c3ccc(NC(=O)CC#N)cc3)cc(=O)oc2c1C 6560101 AQVMDSPIBSSYSR-UHFFFAOYSA-N 390.395 3.619 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(O)c1 8022620 GZQHPGGIAVYCEM-FQEVSTJZSA-N 395.455 3.786 30 40 GHEB C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)NC1(C#N)CCCCC1 10563462 CFCPODTZVOTGQA-MRXNPFEDSA-N 396.443 3.747 30 40 GHEB CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O 17822039 GBTFPMKRRRTCPR-WSDLNYQXSA-N 385.851 3.993 30 40 GHEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4cccs4)CC3)nc2c1 19234252 PJDNNOVYHTWVEY-UHFFFAOYSA-N 376.485 3.829 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccc(OCc2ccccc2)cc1 100199210 KNCBQTFWQZHXCK-FNZCPWQESA-N 398.462 3.653 30 40 GHEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1ccccc1 102531357 CKJGDAGCGCABKX-WOOAAIBNSA-N 375.380 3.607 30 40 GHEB C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)/C(=N\CCc2ccccc2)S1 102776678 FRMZGQPKTZSYEQ-PXFSWQRTSA-N 396.512 3.563 30 40 GHEB C=CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841084 HYEWMXQFDIDHCT-KRWDZBQOSA-N 384.907 3.992 30 40 GHEB N#CCCN(C(=O)CN1Cc2cc(F)c(F)cc2C1)c1cccc(Cl)c1 594031684 OPIDNPOFGSDKGL-UHFFFAOYSA-N 375.806 3.881 30 40 GHEB N#Cc1ccc(OCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3275212 FCNPREFNABUKQC-UHFFFAOYSA-N 387.443 3.561 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S/C(=C\c3ccco3)C(=O)N2CC)cc1 4537942 AXVZFQYEGWRZQC-MPOVVXLQSA-N 390.486 3.523 30 40 GHEB Cc1c(/C=N/NC(=S)NCc2ccccc2)c(Cl)nn1-c1ccccc1 4670601 MRTGHEXEZWBWKP-LPYMAVHISA-N 383.908 3.832 30 40 GHEB Clc1ccccc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 5003432 CUXWFAAHFVTXKF-PXLXIMEGSA-N 399.930 3.952 30 40 GHEB C=CCNC(=O)[C@H](C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 7179194 GWQXYVRONPTOBN-JTQLQIEISA-N 389.477 3.574 30 40 GHEB N#Cc1ccccc1OCC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 8142143 XLIGVRJUJOXKSN-UHFFFAOYSA-N 386.407 3.933 30 40 GHEB O=C(Nc1ccc2c(c1)OCCO2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 8396559 XGJZYWNUTATGCO-UHFFFAOYSA-N 397.193 3.865 30 40 GHEB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1 12755629 UQSTWRLVZWIXRW-GASCZTMLSA-N 384.505 3.510 30 40 GHEB N#Cc1cccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)c1 15675512 LBYGTFZUKACWPX-FQEVSTJZSA-N 382.427 3.631 30 40 GHEB biogenic,in-vitro COc1ccc(OC)c(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1 20573085 NMIYBOUIHHIEQB-NDENLUEZSA-N 395.455 3.930 30 40 GHEB Cc1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c(F)c1 48340599 VJTOEAMTKXEQRH-GFCCVEGCSA-N 383.448 3.548 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccc(-c2ccc(Cl)cc2)o1 100201478 BNGCXIRZEOVYLM-PUYPHWLLSA-N 392.842 3.987 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(Cl)cc1 102799900 BWFCVHPKOFBTEA-GROYHEBESA-N 389.835 3.700 30 40 GHEB CCN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 102845454 VPJNIMIWYUGVFS-MRXNPFEDSA-N 389.427 3.627 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 102878947 PBXFQXYMXHPNJG-WOOAAIBNSA-N 390.395 3.618 30 40 GHEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224770524 QQEYJZIKCQVDOL-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCCC[C@H]2C)n1 260715347 NITQNUKWRISLFZ-JKSUJKDBSA-N 388.585 3.564 30 40 GHEB N#CCOc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409045855 IZZXLOQUXQESEX-GEVRCRHISA-N 377.647 3.956 30 40 GHEB CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1cc2cccc3c2n(c1=O)CCC3 524731900 OMTLMEQZMBLZHO-HNNXBMFYSA-N 377.440 3.621 30 40 GHEB biogenic C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 979933 JOXHFPKLTSRTJI-PDGQHHTCSA-N 394.408 3.843 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3)ccc21 8958716 ZMNSSWODSBJSOU-UHFFFAOYSA-N 380.444 3.642 30 40 GHEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN(C)C)C1=O)cn2C 28182519 KNOHSJZKBFUZQM-UKWGHVSLSA-N 378.428 3.570 30 40 GHEB COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1OC 20591381 UKUUBVMJDVTPEY-UNOMPAQXSA-N 395.455 3.930 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(C(=O)OCC)ccc21 100874089 ZWIZUVOPZRJGRZ-XDOYNYLZSA-N 384.432 3.946 30 40 GHEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)n1 408915043 TZGRYLKNTXBOIW-JJFYIABZSA-N 377.448 3.954 30 40 GHEB C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(C(=O)OCC)cc2)n1 6748034 NSGZIFBIRBEBPG-UHFFFAOYSA-N 377.853 3.837 30 40 GHEB Cc1cc2nnc(SCC(=O)N(C)C3(C#N)CCCCC3)n2c2ccccc12 4843547 UOZZSBCOCABFGT-UHFFFAOYSA-N 393.516 3.968 30 40 GHEB Cc1c(C#N)c(NC(=O)CSc2nnnn2C2CC2)n(C2CCCCC2)c1C 8074256 DDEDEQMQNVEONK-UHFFFAOYSA-N 399.524 3.534 30 40 GHEB C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[S@@](=O)C1 556788481 HLSKDXJPSBRAJN-KUNJGFBQSA-N 383.473 3.583 30 40 GHEB CC(C)(C)OC(=O)[C@@H](C#N)C(=O)c1c(F)c(F)c(Br)c(F)c1F 255187181 BTQQTMPQBMEEIF-YFKPBYRVSA-N 396.134 3.670 30 40 GHEB COc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c(OC)c1OC 6056280 AURLYRFQDYJHFW-RGVLZGJSSA-N 384.461 3.824 30 40 GHEB Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/C2CCCCC2)NC1=O 21132943 WGGXMIAXJDPSKS-HNNXBMFYSA-N 379.913 3.897 30 40 GHEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCc2ccccc2)n1 1028744 MHSUWLUSFYVTTQ-UHFFFAOYSA-N 379.407 3.732 30 40 GHEB CCc1cccc2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2086869120 VLOQLXQUBBDERP-IAGOWNOFSA-N 375.501 3.698 30 40 GHEB CCOC(=O)c1sc(N)c(C#N)c1COc1ccc(F)c2c1C(=O)C[C@@H]2C 32789277 SJEAUTPRRCDLPC-VIFPVBQESA-N 388.420 3.787 30 40 GHEB CN1C(=O)C(=O)/C(=C(\O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 102797440 OUERWONKTUXTME-VZHUHSAUSA-N 390.208 3.640 30 40 GHEB COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1OC 794752 VZRIPUUFFWSBSB-UHFFFAOYSA-N 397.406 3.936 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCc2ccccc21 1085949 XRRQFZJELBESDH-PXLXIMEGSA-N 378.453 3.894 30 40 GHEB C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccccc1 4285580 WOABLQDZQQYILH-UHFFFAOYSA-N 379.441 3.835 30 40 GHEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 8009890 AOCBQPLNJUIZBE-LLVKDONJSA-N 393.226 3.814 30 40 GHEB CCCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 18105978 POOKDZDSXYRARJ-UHFFFAOYSA-N 375.538 3.923 30 40 GHEB O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCCO2 23042587 JASQMKRKBBMODC-UHFFFAOYSA-N 397.477 3.720 30 40 GHEB C=C(C)c1nc(C#N)c(N/N=C/c2cc(Br)c(O)c(OC)c2)o1 27562501 ZLYCIPFVZSUGAQ-CNHKJKLMSA-N 377.198 3.502 30 40 GHEB C=CCn1c(SCc2ccc(OC)c(OC)c2)nnc(-c2ccccc2)c1=O 28537594 RLICMKKDBVDNDO-UHFFFAOYSA-N 395.484 3.801 30 40 GHEB O=C(OCC#Cc1ccccc1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 95373431 MMKCDIGKDNYFIX-MRXNPFEDSA-N 388.250 3.941 30 40 GHEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1 225925027 QIXCWSAOZNQKOQ-OAHLLOKOSA-N 383.521 3.978 30 40 GHEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1Cl 408529711 CYGZTSCCICXDJI-SNVBAGLBSA-N 394.189 3.734 30 40 GHEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccc(Cl)cc1Cl 408537535 WAYKIXMLBAJHAH-OUCVZQCGSA-N 394.258 3.579 30 40 GHEB CCc1ccccc1/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408850413 NHHAJOAQJQUHMV-IWIPYMOSSA-N 375.472 3.813 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409139705 DKANJXKCCHIZCR-LDADJPATSA-N 378.428 3.661 30 40 GHEB CC(=O)/C(C(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C)=C(\C)N 104941248 VHHMHQWFHMGNQR-QNGOZBTKSA-N 380.444 3.595 30 40 GHEB N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)cc1 2622504 SZZZDZIPJXFWMH-QFIPXVFZSA-N 381.435 3.764 30 40 GHEB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)c(C#N)c(C)c1C 5172276 JFQRQPZAXVSCFP-UHFFFAOYSA-N 383.473 3.771 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)NC1=S 408902886 MYWWBWWXWNGVRJ-XNTDXEJSSA-N 386.860 3.721 30 40 GHEB Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1[N+](=O)[O-] 8726185 NZTNTDAEBMIIPU-UHFFFAOYSA-N 387.465 3.639 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408801080 SMODKZTYKZQBFH-GHRIWEEISA-N 376.412 3.535 30 40 GHEB Cc1cc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc(C(F)(F)F)c1 617127101 PDCCCOIFCOSAQN-UHFFFAOYSA-N 385.349 3.906 30 40 GHEB CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)C[C@H](C)C#N 40158310 DNMIXBAOKYPPHQ-XLIONFOSSA-N 378.476 3.747 30 40 GHEB CCN1CCc2nc3ccccc3c(C(=O)Nc3cc(C#N)ccc3NC)c2C1 552575725 JXEVGNHLEMFYOT-UHFFFAOYSA-N 385.471 3.778 30 40 GHEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 19087909 JNGPARRXXCXUBZ-OAQYLSRUSA-N 390.439 3.704 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(Cl)c21 100910070 XYNLWRILAXGORB-ICFOKQHNSA-N 377.834 3.700 30 40 GHEB C=CCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 6155523 QSMOEMNKJYKIRD-UHFFFAOYSA-N 385.372 3.598 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55741756 FLAHBYGFAFTYPN-KRWDZBQOSA-N 391.471 3.980 30 40 GHEB Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCc1c[nH]c2ccccc12 13283092 ZVAFCMOATNVRGU-LPYMAVHISA-N 389.415 3.525 30 40 GHEB C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1cccc(C#N)c1 6220154 APKMNHVJUNESAE-QGZVFWFLSA-N 399.450 3.894 30 40 GHEB N#CCCN(C(=O)COc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 4958041 LLHQWNXCRJPLOU-UHFFFAOYSA-N 390.798 3.576 30 40 GHEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 29791780 DLWDOPOQXWKZQL-UHFFFAOYSA-N 378.350 3.796 30 40 GHEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1C(=O)O 408750657 PZBFZWHHPSOWSG-FBHDLOMBSA-N 379.376 3.542 30 40 GHEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2cc(Br)cs2)c1C#N 17081425 CCKPCKYIVGAXEB-UHFFFAOYSA-N 398.307 3.706 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cnn(CC)c1 36631358 JQOIQIIAVUNDNV-UHFFFAOYSA-N 396.520 3.695 30 40 GHEB COc1cccc([C@H]2CC(=O)C=C(NCCc3ccc(OC)c(OC)c3)C2)c1 100152156 RMNNNHMQGOFWKL-GOSISDBHSA-N 381.472 3.875 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)o1 102498269 RHKYOWIGMPVGBO-UYTDBDHRSA-N 395.802 3.658 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C)o1 102879822 BQVIFCNAERBSJZ-YDJIHCHBSA-N 396.487 3.660 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1cccs1 625956 ARUASAPCMDUTAY-NHYWBVRUSA-N 375.471 3.567 30 40 GHEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccs1 4943569 DDZXRLQLTUICLY-UHFFFAOYSA-N 385.445 3.644 30 40 GHEB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 6881140 BSELFICZQGNKQW-OAHLLOKOSA-N 393.468 3.904 30 40 GHEB C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 12786696 PUHWCWVMMWCMPS-QGZVFWFLSA-N 377.271 3.637 30 40 GHEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2csc(Br)c2)cc1 12984796 IQVZKHJDINOUFZ-FPYGCLRLSA-N 394.290 3.874 30 40 GHEB C#CCN(Cc1ccccc1)c1nc(C)nc2c1CCN(Cc1ccccc1)C2 19286152 PHAWKSPEHLRBBC-UHFFFAOYSA-N 382.511 3.983 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1F 26779532 DVFTXJYKPWHAFM-GOSISDBHSA-N 397.358 3.799 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1c(Cl)nc2ccccn12 27391772 SKTIJYXGRSZVFS-ZHACJKMWSA-N 380.835 3.555 30 40 GHEB CS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 44843522 JOUJFYSWJFBPJW-ZHACJKMWSA-N 380.263 3.661 30 40 GHEB N#Cc1c(COC(=O)c2cc(Cl)c3c(c2)OCCCO3)cn2ccccc12 48309794 AXBFUEXPIYVNHW-UHFFFAOYSA-N 382.803 3.983 30 40 GHEB N#Cc1cccnc1N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890495 YMXUSYWKENKFPB-KRWDZBQOSA-N 375.407 3.916 30 40 GHEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Sc2nncn2C)c(OC)c1 100332846 BCGPRWCMVNPICR-VXLYETTFSA-N 399.432 3.642 30 40 GHEB C=CCN1C(=O)/C(=C\c2cnc3ccccc3n2)S/C1=N/c1nccs1 101227719 VJUOLIQLZIZPKT-UXCYTXTISA-N 379.470 3.876 30 40 GHEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 102526497 PCYSCKPTNDPVOY-YDJIHCHBSA-N 389.407 3.910 30 40 GHEB C=CCN(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 225147994 CGIZGNBGWOTQEV-UHFFFAOYSA-N 379.865 3.504 30 40 GHEB COc1cccc(-c2cc(C(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)c1 252479227 BBSMXYRZPLKQFH-LSFURLLWSA-N 390.369 3.717 30 40 GHEB NC(=S)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 408886599 KQSLUGCTTFVNBR-UFWORHAWSA-N 398.713 3.849 30 40 GHEB O=C1CCCC2=C1C(c1ccc(O)c(Br)c1)C1=C(CCCC1=O)N2 1408517 PKAVGAVHNYCUSL-UHFFFAOYSA-N 388.261 3.856 30 40 GHEB C[C@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(Cl)s2)C1=O 3202807 FYOLOQOBQBHWIQ-UZMFJHSZSA-N 386.907 3.742 30 40 GHEB N/C(=N/OCc1csc(Br)c1)c1cccnc1N1CCCCC1 58498085 BEFIHPONUXKZDR-UHFFFAOYSA-N 395.326 3.733 30 40 GHEB N#Cc1ccc(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 6278146 JNUFJXHJRAUWNJ-UHFFFAOYSA-N 387.443 3.561 30 40 GHEB COc1cccc(-c2nc(CC(=O)Nc3cccc(C#N)c3)cs2)c1OC 7990357 QGMWMLZABWIFLQ-UHFFFAOYSA-N 379.441 3.880 30 40 GHEB CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97944219 DQPJFMCLKVVOGW-UHFFFAOYSA-N 391.127 3.861 30 40 GHEB N#Cc1cccnc1NCCOC(=O)c1ccccc1C(=O)c1cccs1 68604073 PIZFHPAJSIOWAF-UHFFFAOYSA-N 377.425 3.515 30 40 GHEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(OC(C)C)c1 409144569 LPQDYBQMMPQHAS-LEDJPCJYSA-N 396.487 3.792 30 40 GHEB CCCOc1ccc(/C(C)=N/NC(=S)NC[C@@H]2CCCO2)cc1OCCC 33045729 HTPKGIHMEJJXKF-HINJULBWSA-N 393.553 3.631 30 40 GHEB CN(CCCc1n[nH]c(N)c1C#N)c1nc(-c2ccccc2)nc2ccccc12 12575994 ROOVTIDGHINSEA-UHFFFAOYSA-N 383.459 3.543 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(Br)s2)cc1 16712425 QTLZFYIJFBZTOW-PXNMLYILSA-N 395.307 3.949 30 40 GHEB C#CCOC(=O)c1cc(Br)c(OCc2cccnc2)c(OCC)c1 226321485 NDWJICBZOLZVFJ-UHFFFAOYSA-N 390.233 3.612 30 40 GHEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1nnc(-c2cccs2)o1 5470845 IMUCITFEWPYGOF-NSHDSACASA-N 382.401 3.568 30 40 GHEB O=C(O)/C(=C/C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 4812759 PCKDJGLKHVBJTN-ZROIWOOFSA-N 380.278 3.877 30 40 GHEB CC(C)COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 664147 UHQSQKBYUQRVCM-MRXNPFEDSA-N 375.852 3.830 30 40 GHEB CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 1889259 QDMIEBCPTIQYIV-HNENSFHCSA-N 390.439 3.519 30 40 GHEB Cc1nnc(SCC(=O)N(CCC#N)c2ccccc2F)n1-c1ccccc1 3452825 QHFLWNMRLKKRRK-UHFFFAOYSA-N 395.463 3.754 30 40 GHEB CCN1CCN(c2ccc(/N=C/c3cc(OC)c(OC)c(OC)c3)cc2)CC1 4739533 BWEGOSKKBAQZND-XQNSMLJCSA-N 383.492 3.605 30 40 GHEB Cc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 7460342 AHGXCWYPRFHCMM-UHFFFAOYSA-N 380.448 3.590 30 40 GHEB Cc1ccc(C(=O)N2CCN(c3oc(-c4cccc(C)c4)nc3C#N)CC2)cc1 12418341 XSTHATXQJKKYFQ-UHFFFAOYSA-N 386.455 3.793 30 40 GHEB CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)c2ccccc2O1 12548933 WYNOWMZLNVIYLH-QHCPKHFHSA-N 383.451 3.739 30 40 GHEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1coc2ccccc2c1=O 19830928 QJKUARJAKPOZKK-LJQANCHMSA-N 393.439 3.570 30 40 GHEB biogenic C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223271184 NJASJFWWPNZEBC-QFIPXVFZSA-N 394.515 3.593 30 40 GHEB Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Br)cc1C 409257372 SIMVCYAUHIVVDP-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(-c2cccc(Cl)c2)n1 589585816 LHSCCOJGYJKPKA-UHFFFAOYSA-N 386.864 3.701 30 40 GHEB Cc1sc(NC(=O)[C@H](N)CCCCC#N)nc1-c1c(F)cc(F)cc1F 594433850 ICZPGMVKJABOLA-CYBMUJFWSA-N 382.411 3.886 30 40 GHEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccccc1 8643173 XNAWDLJFBUNPLR-LJQANCHMSA-N 375.380 3.764 30 40 GHEB CCN(CC)c1ccc(-c2nn(CN(CCC#N)CCC#N)c(=S)n2C)cc1 12552687 BESMAIBXSXXMSG-UHFFFAOYSA-N 397.552 3.551 30 40 GHEB CCOCCC/N=C(/S)NCCCNc1nc2c(C)c(C)ccc2cc1C#N 13634276 HPOQKBPCTDMGNP-UHFFFAOYSA-N 399.564 3.827 30 40 GHEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Br)c1 20921763 VOZGYHLHDWOVRD-UHFFFAOYSA-N 382.279 3.839 30 40 GHEB N#Cc1cccc([C@@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)c1 58048291 ZUGRNQVAMVISSO-XMMPIXPASA-N 383.451 3.768 30 40 GHEB C=CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1 224006781 NLEVXRRZZFGLIY-UHFFFAOYSA-N 398.278 3.823 30 40 GHEB CO/N=C/NC(=O)[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 4002267 DNHOXPKMTHJYLG-OAQYLSRUSA-N 390.414 3.895 30 40 GHEB CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)c1 4541138 RCIHQAGNYZTZMR-IBGZPJMESA-N 399.443 3.602 30 40 GHEB Cc1cc(C)c(C#N)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)n1 4709449 CEXHEVSMSUOJAS-UHFFFAOYSA-N 377.469 3.966 30 40 GHEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccn3)c2C#N)C1 6063284 DKFQSTYBELABQS-ZDUSSCGKSA-N 397.500 3.961 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12219393 HVNFLDZVCUSBGV-UHFFFAOYSA-N 390.443 3.716 30 40 GHEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)cc1OC 18045693 XBLNGZSRZBMIEH-HXUWFJFHSA-N 395.455 3.938 30 40 GHEB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18285506 ALGCRGVDDRTVNG-MYNGYRLFSA-N 376.415 3.955 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 19209001 RGVWNEAJUQIXCZ-HXUWFJFHSA-N 396.462 3.664 30 40 GHEB O=C(O)c1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 5603696 CVVLNKJUVNODGF-GFMRDNFCSA-N 384.395 3.604 30 40 GHEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1O 5678825 SFNXYZZPMDZJNY-MDWZMJQESA-N 375.793 3.845 30 40 GHEB Cc1cc(C)nc(/N=C(\NC=C2C(=O)CC(C)(C)CC2=O)Nc2ccccc2)n1 5895075 SXWOAWODZLKHKB-UHFFFAOYSA-N 391.475 3.625 30 40 GHEB N#Cc1ccccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 16093915 DCBFFZZLRFKQAS-UHFFFAOYSA-N 376.481 3.992 30 40 GHEB COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 20068979 IHYVQSWPWBQSQL-NRFANRHFSA-N 389.455 3.697 30 40 GHEB C#C[C@@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@H]3C(=O)C[C@]21C 61894806 FNLAEOVBNXMZCC-HEOGODQMSA-N 386.532 3.894 30 40 GHEB COc1ccc(C(OC(=O)[C@@H](N)CS)(c2ccccc2)c2ccccc2)cc1 79670006 PNCFHTNPGCVTJV-NRFANRHFSA-N 393.508 3.787 30 40 GHEB C=CCN(c1cccc(NC(=O)c2ccc(C)cc2Cl)c1)S(C)(=O)=O 225002730 XOIJTOXAENZMBK-UHFFFAOYSA-N 378.881 3.853 30 40 GHEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 252498511 RDPQPGJZJXMLEP-IFRROFPPSA-N 384.362 3.851 30 40 GHEB CCOc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 3252221 SFHLKCGDYOLVAX-UHFFFAOYSA-N 394.814 3.698 30 40 GHEB N#Cc1c(NC(=O)COC(=O)c2ccc3ccccc3n2)sc2c1CCCC2 3408769 PFPLQNYEQPEYNE-UHFFFAOYSA-N 391.452 3.842 30 40 GHEB Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 4119066 DXFFYXDFADIJNW-PXLXIMEGSA-N 389.463 3.757 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccncc4)nc13)O2 5346093 JELQTVIMCLAOSZ-GOSISDBHSA-N 395.422 3.718 30 40 GHEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(OCC)cc2)c2cc(Cl)ccc21 6659955 KWRRDWGPPIGECR-NRFANRHFSA-N 385.847 3.732 30 40 GHEB COc1ccc(-c2nnc(Sc3ccc(C#N)cn3)n2C[C@@H]2CCCO2)cc1 24992741 IBNPNPLTLXMHHG-KRWDZBQOSA-N 393.472 3.551 30 40 GHEB O=C1NC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])o2)N1 33775868 HUDWHVJBWIIHDN-IBGZPJMESA-N 389.367 3.836 30 40 GHEB COc1ccc(NC(=O)c2ccc(CO/N=C(/N)c3ccccc3)cc2)cc1 39992581 MSRPDSOHRTWWKR-UHFFFAOYSA-N 375.428 3.785 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 101231662 JCKCRJIJTRLFOA-YDJIHCHBSA-N 393.439 3.620 30 40 GHEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(Cl)cc1 2628862 LIKLBXCCEINYDW-UHFFFAOYSA-N 389.868 3.812 30 40 GHEB N#Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c1 3216597 OAQCTNXBCNXVDS-UHFFFAOYSA-N 385.423 3.781 30 40 GHEB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119685 HKFHDFKHCGJWTL-CRALRDPISA-N 380.288 3.753 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CCCC1=O)N2 5887164 JWDKBGSAKYAIQX-OAHLLOKOSA-N 385.514 3.982 30 40 GHEB N#Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6653491 ICDNIWZMEVGPOR-NRFANRHFSA-N 396.450 3.914 30 40 GHEB N#Cc1ccc(-c2ccc(OCC(=O)N(CCC(N)=O)c3ccccc3)cc2)cc1 12737740 HCVMWEASDLLQKF-UHFFFAOYSA-N 399.450 3.513 30 40 GHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1ccc(C(=O)OC)cc1)C2=O 36065986 ZWGWLEKZFBFZLT-XDHOZWIPSA-N 381.428 3.637 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102929165 LDBZFJATXOEONS-NHFXJNLRSA-N 388.398 3.843 30 40 GHEB N#CCc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225832916 HTOJYUNRBDTYHE-UHFFFAOYSA-N 383.864 3.943 30 40 GHEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2Br)o1)NO 226290779 CLRPUNMFUQVMKZ-ZZXKWVIFSA-N 387.027 3.990 30 40 GHEB C/C=C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)/C(O)=C1/C(=O)N[C@H]([C@@H](C)O)C1=O 253390437 AIFXMSDWXBFQTF-IANSPKSHSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 408652576 DJNSVXYQQZUWAD-RUDMXATFSA-N 390.819 3.805 30 40 GHEB CCOC(=O)COc1ccc(-c2c(-c3ccc(C)cc3)c[nH]c(=N)c2C#N)cc1 408987294 WBFWWWMFVOQTII-UHFFFAOYSA-N 387.439 3.950 30 40 GHEB O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc(F)cc1 3189929 KQHVCMCGMZBTNH-UHFFFAOYSA-N 388.264 3.847 30 40 GHEB C=C(C)COc1cc(CNCc2ccc(N3CCO[C@H](C)C3)nc2)ccc1OC 57963756 GXVJQVBIUBQZOD-GOSISDBHSA-N 397.519 3.560 30 40 GHEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1 3598037 CPQMXKBNRDUPLH-UHFFFAOYSA-N 396.468 3.591 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)c(C)c1 4144204 GOGDMBXUHREZOG-QGOAFFKASA-N 381.295 3.768 30 40 GHEB O=C(OCC#CCSc1ncnn1-c1ccccc1)c1ccc(Cl)cc1 4740870 KKBNHGRAFQDZAH-UHFFFAOYSA-N 383.860 3.873 30 40 GHEB O=C(O)COc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1Cl 408914331 PHONCJNICFVNAL-UHFFFAOYSA-N 377.179 3.919 30 40 GHEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 408985248 KCSAMIQKXBNDLJ-YBEGLDIGSA-N 396.830 3.749 30 40 GHEB COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 13633683 UALJPIUHOGZNOO-LSHDLFTRSA-N 393.472 3.777 30 40 GHEB O=S(=O)(/N=C(/Nc1ccc2c(c1)OCO2)c1ccccc1)c1cccs1 4869067 DVQZTDQMAHIUAV-UHFFFAOYSA-N 386.454 3.724 30 40 GHEB CCNC(=O)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 1441001 LJHUGUHRLLFLRU-BAOKRACBSA-N 391.493 3.545 30 40 GHEB CN/C(S)=N\N=C\c1ccc(OCc2c(F)cccc2Cl)c(OC)c1 4749628 RWNJXLTZGIMGRB-ZVBGSRNCSA-N 381.860 3.906 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2)cc1OC 4888291 XLWDNLAYNZMBRQ-LZKUZYFISA-N 383.473 3.558 30 40 GHEB CC(C)Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccco1 6945316 BDFRLTRNOIUNOF-UHFFFAOYSA-N 387.490 3.858 30 40 GHEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 12438244 HYCFNKMHCQYCBC-XVZOTVTFSA-N 392.527 3.738 30 40 GHEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1OC 16695952 GLGNNIXPYHDGAE-IQRJPBLOSA-N 379.485 3.758 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1C#N 100616332 FRCDGJNESATUON-MFRYECHYSA-N 381.391 3.534 30 40 GHEB COc1cccc(OCc2nc(SCc3cccc(F)c3)nc(N)c2C#N)c1 223693148 SFVMQXMIFBJXFT-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB CCn1c(N/N=C/c2cc(OC)cc(Br)c2O)nc2ccccc21 408692727 TVQVSAYTGGXWRT-VXLYETTFSA-N 389.253 3.979 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)nc1 408748631 BHNVXVVFWMMNRL-NVMNQCDNSA-N 398.291 3.512 30 40 GHEB Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1 408770777 AECVFCJNBNGWRJ-YDZHTSKRSA-N 375.428 3.902 30 40 GHEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1cccs1 409079714 LBGFIHREOIDRCB-KJADNVALSA-N 384.460 3.974 30 40 GHEB O=[N+]([O-])c1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1 409103262 GECMOVUIJSPUJX-CIAFOILYSA-N 393.359 3.923 30 40 GHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1 409301019 BWHHSBKFWHOFDM-UHFFFAOYSA-N 386.249 3.699 30 40 GHEB Cc1ccc2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc2c1C 2087048800 SNWSVINELUBIRN-IAGOWNOFSA-N 375.501 3.752 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 727471 RUEFUIUNFNPFTF-HNNXBMFYSA-N 375.852 3.830 30 40 GHEB CN(c1ccc(OCc2ccc(C#N)cc2)cc1)S(=O)(=O)c1ccccc1 2629668 WIHZQBRDNDDUAR-UHFFFAOYSA-N 378.453 3.962 30 40 GHEB C(=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1)\c1c[nH]c2ccccc12 4511097 ZPCDZWMTZWCVBI-HZHRSRAPSA-N 375.480 3.604 30 40 GHEB COc1cc(C(=O)/C=C/c2ccccc2Br)ccc1OCC(=O)O 6433318 GKQVROBZISOQGR-SOFGYWHQSA-N 391.217 3.817 30 40 GHEB C=CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 7709681 SZAUCDGBALOOOO-UHFFFAOYSA-N 377.487 3.927 30 40 GHEB COc1ccc(C(=O)O/N=C2\CCCc3c2ccc(OC)c3C)cc1[N+](=O)[O-] 12372439 RODYZFXJOWTGBH-LTGZKZEYSA-N 384.388 3.818 30 40 GHEB COc1ccccc1/N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1 12566264 QIRBSRPSGBTTIL-MRXNPFEDSA-N 383.473 3.560 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 102798332 KOZNRSPDDJJVMZ-SELCWUDQSA-N 385.847 3.717 30 40 GHEB C[C@@H]1C(=NO)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 230322893 XIEVXBGRBVCJHK-ALICBKBLSA-N 384.392 3.991 30 40 GHEB C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc(C(=O)O)cc4)cc3C2=O)c1 1421597 VPHGWNWXBFLCJO-UHFFFAOYSA-N 383.359 3.959 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 2633851 GUAHJHYOBDRGBO-UHFFFAOYSA-N 384.606 3.709 30 40 GHEB COC[C@H](C)N1/C(=N/c2cccnc2)SC[C@]1(O)c1cc2ccccc2o1 3336355 JTJDHJFWWKNJPL-OHKKSBLSSA-N 383.473 3.744 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2ccc(C)cc2)cc1 5818320 KVPQEMLNSYZLEA-KRWDZBQOSA-N 391.452 3.938 30 40 GHEB CCc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 5863331 NQKFWXDBYHRXMY-UHFFFAOYSA-N 378.815 3.862 30 40 GHEB CCc1cc2c(=O)n(CC(=O)N(CCC#N)c3ccc(C)c(C)c3)cnc2s1 12935867 AHMWKHYALUOYCO-UHFFFAOYSA-N 394.500 3.584 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 14711958 TXYNHDJAHZEAGN-ZDUSSCGKSA-N 390.892 3.730 30 40 GHEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39772804 YJLRFWWHIVMZML-UHFFFAOYSA-N 391.515 3.762 30 40 GHEB C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(C)o1 48187149 LDMIJNIRILLUHS-LLVKDONJSA-N 375.429 3.727 30 40 GHEB N#CCOc1ccccc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 106766432 YJMCLBQQWJWOGZ-JXAWBTAJSA-N 380.425 3.704 30 40 GHEB Cc1ccc(C)c(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1 409405574 HYCJXGRBRGOJHQ-YHDSQAASSA-N 387.483 3.852 30 40 GHEB Cc1cccc(Cl)c1S(=O)(=O)NC1(c2ccc(C#N)cc2)CCOCC1 528552485 LSQVBFUWTMJQSB-UHFFFAOYSA-N 390.892 3.504 30 40 GHEB Cc1cc(C(=O)C[N+]2(C)CCOCC2)c(C)n1-c1ccc(Br)cc1 3362614 SQDWDRJJXWTYAW-UHFFFAOYSA-N 392.317 3.516 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(C)cc2)cc1 5883953 PKWBHVGKEAFMGP-IBGZPJMESA-N 385.423 3.876 30 40 GHEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531253 DMHJTKJULUPHLH-OAQYLSRUSA-N 398.532 3.658 30 40 GHEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2F)CC1 7586386 HFVGOMFXDMMYMX-CSKARUKUSA-N 383.423 3.772 30 40 GHEB CN1C(=O)/C(=C\c2ccccc2F)S/C1=N\c1ccc(N2CCOCC2)cc1 13286252 QTXUQXMJZCGRAR-ZIGJTDFESA-N 397.475 3.896 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 222249569 BNGCXIRZEOVYLM-NEIMTPKJSA-N 392.842 3.987 30 40 GHEB COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)/C(=N/c2ccc(C)c(C)c2)S1 849260 IDSQYDJSSDZXIP-UGNPLGLKSA-N 397.500 3.902 30 40 GHEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(Cl)c1 2502029 XJWXXNPGOWRCTR-MRXNPFEDSA-N 376.865 3.719 30 40 GHEB COC(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1C 2742280 ZNSQMNGWWQYLFM-UHFFFAOYSA-N 390.289 3.663 30 40 GHEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SCC)nc(=O)c32)cc1 5997552 CBXJXILURHSSSV-MRXNPFEDSA-N 397.500 3.845 30 40 GHEB N#Cc1ccc(OCc2nc3c4c5c(sc4nc(O)n3n2)CCCCC5)cc1 7737513 QJQBZSWJNABQBT-UHFFFAOYSA-N 391.456 3.764 30 40 GHEB O=[N+]([O-])c1ccc2c(/C=N/Nc3nc4ccccc4nc3O)c(O)ccc2c1 8721672 LNAJSQYRZSRGJL-KEBDBYFISA-N 375.344 3.548 30 40 GHEB Cc1ccc(O[C@@]2(C(F)(F)F)C/C(=C\C(=O)c3ccccc3)NC2=O)cc1 12461723 VQDOSJHBEHYDCC-LSSBLYJVSA-N 375.346 3.962 30 40 GHEB CC(=O)N(c1nc(Cn2cnc(C#N)n2)cs1)c1c(C)cc(C)cc1Cl 14143892 FGTBVPVUJFNEOD-UHFFFAOYSA-N 386.868 3.609 30 40 GHEB C=CCSc1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1C 28240696 BPBDJKYLJOLUJW-UHFFFAOYSA-N 377.487 3.861 30 40 GHEB CCc1cccc2c(N3CCN(Cc4ccc5c(c4)CCO5)CC3)c(C#N)cnc12 32932689 CJXYUTGELHQDRB-UHFFFAOYSA-N 398.510 3.926 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 102577776 SGKBXOFVJVRCPX-SFHVURJKSA-N 375.403 3.869 30 40 GHEB Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 112254770 YFPPXFOMBMKNNX-HBHAFNDASA-N 386.451 3.715 30 40 GHEB CCOC(=O)COc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 137423507 ILPVMDWEAXYZLL-XDNJSQOTSA-N 388.470 3.503 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225040975 YJYREDZXFZHJES-UHFFFAOYSA-N 397.796 3.538 30 40 GHEB COc1cc(Br)c(/C=N/OCc2ccccc2C#N)cc1OC 408589146 DCSVJKPAKHWYEO-KEBDBYFISA-N 375.222 3.889 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409046434 KOZXFBAVONZCTO-LDADJPATSA-N 394.408 3.843 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c1 798044 GKBVDXZBNMGECX-NRFANRHFSA-N 399.450 3.872 30 40 GHEB CCCN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 870367 LNAZFNROEFHGSW-UHFFFAOYSA-N 384.530 3.515 30 40 GHEB NC(=O)/C(=N\OC(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 3188189 MNUAQOCHIXMRGD-PXLXIMEGSA-N 385.832 3.510 30 40 GHEB N#CCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21 4093241 OFWNQLYBPDRVNG-UHFFFAOYSA-N 392.806 3.906 30 40 GHEB C[C@H]1CCc2sc(NC(=O)[C@H]3CC(Cl)=CC[C@@H]3C(=O)O)c(C#N)c2C1 4181110 ALGGPDBMSJBQIC-GAFUQQFSSA-N 378.881 3.917 30 40 GHEB CO/N=C/[C@@H]1C(=O)N(OCc2ccc(Cl)cc2Cl)C(=O)c2ccccc21 5209489 AVJOCMXQYKZJHM-PZEXIZOFSA-N 393.226 3.823 30 40 GHEB CC1(C)Cc2c(sc3ncn4nc(CO/N=C/c5ccccc5)nc4c23)CO1 5345486 GQTICRMQRJDCOA-LSFURLLWSA-N 393.472 3.741 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2F)cc1 5446224 XLGBDACGNAXWRX-OXQOHEQNSA-N 395.430 3.891 30 40 GHEB CCOC(=O)C(=CN/C(S)=N/c1ccc(Cl)c(Cl)c1)C(=O)OCC 5828356 LSVNXHFYZJUGCQ-UHFFFAOYSA-N 391.276 3.510 30 40 GHEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccncc3)c(=O)oc2c1 6719097 MSXUPLKOPBYIQU-UHFFFAOYSA-N 392.455 3.700 30 40 GHEB COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccn2)cc1OC 9303961 VRUPZLRZDPXVCQ-UHFFFAOYSA-N 390.443 3.559 30 40 GHEB N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 12418530 OWQVZUUHCOWPDO-UHFFFAOYSA-N 398.875 3.891 30 40 GHEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 20171477 OHHLABFHBHNFQG-LJQANCHMSA-N 382.460 3.590 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 24750831 ZYAIRVCOGBDRFI-UHFFFAOYSA-N 388.427 3.647 30 40 GHEB C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(F)c(Cl)c2)c1 28662492 GERANZXIJWJMEW-UHFFFAOYSA-N 396.871 3.798 30 40 GHEB C=CCN1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427862 UGTOOSWCOWATQN-UHFFFAOYSA-N 390.487 3.619 30 40 GHEB COc1cccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)c1 102803773 UCEAJSSFRGNJCV-SELCWUDQSA-N 394.383 3.519 30 40 GHEB O=C(COc1ccc(/C=N/O)cc1Br)Nc1ccc(Cl)cc1 409223427 HQHDXALFVUVNNP-QGMBQPNBSA-N 383.629 3.928 30 40 GHEB COc1ccc(/C=N/N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 1009705 IJYFZVKHEOGKFS-WYRLOYKNSA-N 384.482 3.939 30 40 GHEB CN1c2ccsc2/C(=N/Nc2ccc(Cl)c(Cl)c2)CS1(=O)=O 4013707 VVJBYHSTNSKTHW-GZTJUZNOSA-N 376.290 3.651 30 40 GHEB CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)N3CCOCC3)c1)C2=O 4478789 SRZSTHLQUFITAE-MOSHPQCFSA-N 395.411 3.533 30 40 GHEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](C)CC2=O)N1 5206896 VUYMYSMXORJRCB-ASSNKEHSSA-N 389.455 3.640 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)o1 6813295 GUFLMJGEEYIRGP-MRXNPFEDSA-N 395.802 3.814 30 40 GHEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2ccccc21 20739491 ZMZOTLDNSQOVLF-JOCHJYFZSA-N 388.402 3.822 30 40 GHEB Cc1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(=O)n(-c2ccccc2)n1C 38321404 NOMSVJSPHJHKFS-KEBDBYFISA-N 386.795 3.502 30 40 GHEB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408730199 GAVSMHKYSDVEDL-NRFANRHFSA-N 380.444 3.881 30 40 GHEB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)S2)cc1 408783821 NKLNCWSQHUBNCW-FNGUVFISSA-N 395.484 3.760 30 40 GHEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccccc2)C1=O 409054922 WJGANLXKGIVKQR-LGMDPLHJSA-N 393.464 3.857 30 40 GHEB CCn1c(C)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1C 409295599 FTAYKUHWRWYJEL-UHFFFAOYSA-N 387.281 3.788 30 40 GHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1 409325195 XPHKAMNPUZUUDM-UHFFFAOYSA-N 386.249 3.699 30 40 GHEB Cc1cccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1C 4945454 AKPIMXGQVIIZCA-UHFFFAOYSA-N 385.470 3.515 30 40 GHEB COc1ccc([C@H]2O[C@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3c2ccccc2)cc1 5898846 MSQNXJQXDDDHNZ-KPYOPSEVSA-N 398.422 3.818 30 40 GHEB CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 8450265 DZQSVHGCPHUKCU-WCEBZYJUSA-N 386.908 3.570 30 40 GHEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 9547061 ONUAEAGYJLTNKW-OCKHKDLRSA-N 396.395 3.752 30 40 GHEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C)nc(C)c2C#N)c1 12878785 ODPTVILQAYRSOS-UHFFFAOYSA-N 379.489 3.621 30 40 GHEB Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1ccc(N(C)C)cc1 13583274 NHBUHMQPMQFPJT-AZXOKHCJSA-N 380.517 3.915 30 40 GHEB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)c1 25525543 PTJNLYWBPDNTQS-UHFFFAOYSA-N 399.493 3.966 30 40 GHEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 27025333 FYANSVDHXSDKNZ-MRXNPFEDSA-N 390.892 3.541 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2csc(-c3ccc(C)o3)n2)cc1 48422880 KGPHXOAVEKMYGZ-UHFFFAOYSA-N 376.459 3.908 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@@H]2C[C@]1(C)Oc1ccccc12 100871350 IBEMTEADOXCYPF-XQFWAAQXSA-N 376.456 3.860 30 40 GHEB COc1cc(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1OC 408592175 LJTRFFHHAIHKGH-GIJQJNRQSA-N 395.209 3.925 30 40 GHEB N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H](c3ccccc3)C3CCC3)C2)nc1 582038491 GOLXKSKSZJYDPD-PZJWPPBQSA-N 376.460 3.657 30 40 GHEB CC(C)(O)C#Cc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1 12329075 OEMIUYBQDQEKRL-HCGNOCCLSA-N 393.502 3.963 30 40 GHEB C=C(C)CN(CC)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 12557560 NPUVVHYCKCWISG-LBPRGKRZSA-N 390.578 3.915 30 40 GHEB N#Cc1cccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c1 96012665 HIFJHVIFRVTKDB-HNNXBMFYSA-N 386.337 3.606 30 40 GHEB Cc1ccc(C)c(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408740800 IDMAFRPHLCOCCH-SBUZPKSBSA-N 385.876 3.723 30 40 GHEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 408935105 GSGHTXGVRSAAMA-VBKFSLOCSA-N 396.830 3.880 30 40 GHEB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1355072 ORBPNLNUDTYIAD-CZUORRHYSA-N 397.500 3.665 30 40 GHEB N#C[C@@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCCCC1 2317818 ZFOUKKYDGYOXFW-LJQANCHMSA-N 399.498 3.934 30 40 GHEB C=CCOc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 3637281 STUNMBYZIAEJDN-BOPFTXTBSA-N 395.871 3.584 30 40 GHEB CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)/C1=N/Nc1ccccc1 5530593 SDBQSBVDFDOHPT-PXLXIMEGSA-N 391.309 3.804 30 40 GHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 5923784 ONGGRVLZNVRERD-OAHLLOKOSA-N 385.464 3.976 30 40 GHEB N#Cc1cccc(S(=O)(=O)NCc2ccccc2COc2ccccc2)c1 10681004 SWKRQYFUVHQBGT-UHFFFAOYSA-N 378.453 3.616 30 40 GHEB C=CCNC(=O)c1nnn(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1C 12273983 HAXIKELKQSZZSG-UHFFFAOYSA-N 393.834 3.953 30 40 GHEB C=CCOc1ccccc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 12913099 IREFACFUFWHTJG-GJZGRUSLSA-N 387.505 3.569 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 17730072 HPVYRRYLMILQMD-HXUWFJFHSA-N 378.472 3.607 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1 22828690 UHAPQASHEWAXFU-UHFFFAOYSA-N 399.402 3.854 30 40 GHEB C/C(=N\OCc1nc2c3cnn(-c4ccc(C)cc4)c3ncn2n1)c1ccccc1 36092156 SYVWVCVVXCLRCY-JVWAILMASA-N 397.442 3.712 30 40 GHEB Cc1nnc(/N=C(\O)CN2CCC(Cn3c(C)nc4ccccc43)CC2)s1 38488540 WXYQUJXKRBTYCV-UHFFFAOYSA-N 384.509 3.505 30 40 GHEB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 42643471 IIQPYMXDJDNGTB-GOSISDBHSA-N 394.494 3.541 30 40 GHEB C#CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N(C)c2ccccc2)c(F)c1 72268229 TYVOIQZIFCVDDX-FQEVSTJZSA-N 395.478 3.917 30 40 GHEB N#Cc1c(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)sc2c1CCC2 89800119 UZTHGUPUQMBCOU-NSHDSACASA-N 377.878 3.955 30 40 GHEB Cc1cc(-n2cccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 409408976 SHVUXFJEOSAKIH-KODHJQJWSA-N 379.847 3.580 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC 1085025 YGWPCTDCTCSYJO-QGZVFWFLSA-N 385.460 3.576 30 40 GHEB N#Cc1ccc(OC[C@H](O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 3378277 AUUJALLAXDYMFA-GOSISDBHSA-N 393.512 3.787 30 40 GHEB CCOc1ccc2cc(/C=N/N3C(=O)[C@@H]4C=CC=C[C@H]4N=C3C)c(Cl)nc2c1 4031493 XFXHYVCAKLRVTI-QXJZZENKSA-N 394.862 3.992 30 40 GHEB COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1C 4660262 UEXVXMUUOLKULW-KQHCDTJNSA-N 382.441 3.936 30 40 GHEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc2ccccc12 4944641 HUWDYNMSDGDONM-MRXNPFEDSA-N 377.469 3.686 30 40 GHEB CCOc1cc2c(cc1/C=C/C(=O)c1ccc3c(c1)NC(=O)CO3)O[C@H](C)C2 5335886 WYWOYHWDBRIYGH-DIECRNLCSA-N 379.412 3.636 30 40 GHEB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 5616262 DYRFGEGLLBVUKQ-ZDUSSCGKSA-N 384.819 3.745 30 40 GHEB C=CCNc1nnc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)s1 5784250 WOVHNTGNCHWXBN-HDPALTEOSA-N 378.567 3.702 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC)C(=O)O)C2=O)cc1 5965598 CPFLMPVQFKYZFT-AYYGCFCKSA-N 377.487 3.706 30 40 GHEB CCOC(=O)c1ccc(/N=C/c2ccc(Sc3nnc[nH]3)c([N+](=O)[O-])c2)cc1 6535352 VRNJIZZAXDTQDG-VXLYETTFSA-N 397.416 3.791 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)n1 6607505 YWIITQMNLCGRTB-MRXNPFEDSA-N 391.452 3.910 30 40 GHEB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(C#Cc2cccs2)c1 13020594 DVOXOPAATPIGLZ-UHFFFAOYSA-N 385.448 3.566 30 40 GHEB CC1=CC(=O)C(C(C)C)=C/C1=N\OS(=O)(=O)c1ccc(Br)cc1 16779873 BHRMHMMONGYOJB-OBGWFSINSA-N 398.278 3.622 30 40 GHEB C=CCn1c(-c2cccc(O)c2)cs/c1=N\N=C1\CC(=O)c2ccccc21 16948806 QGDHNDAEAHMBGW-ZFMSCQQDSA-N 375.453 4.000 30 40 GHEB COc1ccc(CN(C(=O)COc2ccc(CC#N)cc2)[C@H](C)C2CC2)cc1 59010143 YVWVMIHRKKHHGA-QGZVFWFLSA-N 378.472 3.967 30 40 GHEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(SC)cc1 224979732 MEZYZEJTIAXKRS-UHFFFAOYSA-N 379.503 3.807 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCCC[C@@H]2C)n1 225924716 XOHDJPCZNJNJJH-INIZCTEOSA-N 388.585 3.564 30 40 GHEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1cccc(Cl)c1 408536858 SULSXYLZZQYNNE-AWEZNQCLSA-N 376.199 3.595 30 40 GHEB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=Nc2ccc(C)cc2)NC1=O 408966994 RMBRDHIZGPJIDK-RQZCQDPDSA-N 399.428 3.812 30 40 GHEB N#Cc1ccc(N=c2[nH]c([C@H]3CCCCN3Cc3ccncc3)cs2)cn1 585294819 VEQXCTPPTFMNAY-LJQANCHMSA-N 376.489 3.697 30 40 GHEB CC(C)(C)C(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccc(F)cc1 4576288 CXBNBHQEBMTJBU-QGZVFWFLSA-N 391.439 3.781 30 40 GHEB C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC 5007647 FRYSEBRCJQCBOR-PDGQHHTCSA-N 382.416 3.738 30 40 GHEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 12348565 DCEYYFFUADBUEV-IBGZPJMESA-N 387.439 3.739 30 40 GHEB COc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608182 PLZIEWGKTRXULA-RFAUZJTJSA-N 378.354 3.574 30 40 GHEB N#Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCC2=O)cc1 95971810 JZKSOOIRNHWIDP-UHFFFAOYSA-N 384.233 3.700 30 40 GHEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 101231751 QNYSJPFLHYTQBF-SELCWUDQSA-N 383.831 3.956 30 40 GHEB COc1cc(OC)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408589590 DYDOXOKJZRIUPG-GIJQJNRQSA-N 395.209 3.925 30 40 GHEB CC/N=C1/S/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)N1CC 408930243 UNSUIYUXELCUSE-WVTXTPTHSA-N 382.327 3.827 30 40 GHEB COC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c1 409075919 ZELTZFNSPWOOMC-WSDLNYQXSA-N 393.403 3.630 30 40 GHEB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2cccc(C#N)c2)c1 3323572 VBJFETZOXXMGQF-UHFFFAOYSA-N 386.407 3.815 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C(C)C)C(C)C 5476051 UCJJKVMFEACJCN-UHFFFAOYSA-N 383.286 3.744 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 6476049 PVUGKECWDLOKBV-BUVRLJJBSA-N 383.407 3.717 30 40 GHEB C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F 10638663 OPNQIOIMZPGCGG-UONOGXRCSA-N 398.413 3.990 30 40 GHEB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(C#N)c2)cs1 12856164 AGQACSPXZTZEIV-UHFFFAOYSA-N 381.482 3.742 30 40 GHEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1OC 20060622 GFKZRNQTYMUQLI-LPYMAVHISA-N 397.456 3.650 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)n1 26014191 PCAFKRDNKPFITA-GOSISDBHSA-N 394.544 3.568 30 40 GHEB CCOc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc(Br)c1O 32664132 LOQLWOYGNAKZPC-NVMNQCDNSA-N 375.226 3.876 30 40 GHEB CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)c1ccc(Cl)s1)=C2 95352915 XGBDLFFUMZQMEC-UHFFFAOYSA-N 399.877 3.921 30 40 GHEB N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccc(Cl)c(Cl)c1 104296321 UTKNKVOJGQJRON-VRHSPDTKSA-N 397.649 3.692 30 40 GHEB C=CCN(Cc1ccc(C(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224475323 QTOCWELZWXNSBU-UHFFFAOYSA-N 386.517 3.510 30 40 GHEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)cc1 409281436 MJFXAHIUGDSUHT-UHFFFAOYSA-N 386.249 3.612 30 40 GHEB Cc1nsc(NC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)c1C#N 592258023 NEMWVEHCNSYJAD-ZDUSSCGKSA-N 380.832 3.721 30 40 GHEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccc(C)c1 10146441 SRAMYGAMQNXNPA-UHFFFAOYSA-N 377.473 3.876 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3)cc21 8959533 YHXXPBPUJPVGMQ-UHFFFAOYSA-N 380.444 3.642 30 40 GHEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2)cc1 4082096 FGSDVEXVFPTKKF-WSDLNYQXSA-N 376.372 3.963 30 40 GHEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccccn3)c(C)c12 6673071 CSFLYOLFDKVKQD-UHFFFAOYSA-N 392.455 3.619 30 40 GHEB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c[nH]c3ccccc23)C1=O 7007131 DAXCKIDZEDFWQU-JVMMHGLMSA-N 398.369 3.570 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(OC)cc1 89439247 LHHJBWDKBUJYIC-QCLNCQLRSA-N 395.484 3.842 30 40 GHEB CCCCOCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 557471749 VVIBAMBHTXNWCO-UHFFFAOYSA-N 377.916 3.751 30 40 GHEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)O)c1 210586600 WCDFTGVUOSRGFM-IXMFVRRYSA-N 397.412 3.917 30 40 GHEB C=CCOc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 225743937 MBPAPUXDJLGVCQ-UHFFFAOYSA-N 381.545 3.986 30 40 GHEB C=CCn1c([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 12539157 JQGORIIUPUMSLR-AWEZNQCLSA-N 395.459 3.739 30 40 GHEB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c1C#N 12415378 MOEIXAOTKNEJSZ-UHFFFAOYSA-N 383.757 3.648 30 40 GHEB COC(=O)c1cccc(/N=C/c2ccc(OC)c(I)c2)c1 103627791 SHPAMAWFROQGHH-VCHYOVAHSA-N 395.196 3.837 30 40 GHEB N#Cc1cccnc1Oc1ccc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1 61720269 MGCMHHSGXZZDRV-REWPJTCUSA-N 382.423 3.670 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(C)cc1 6477839 PJWBUURRMFSTTG-UHFFFAOYSA-N 378.501 3.848 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1 44532487 YLDOZAGPHNKRNR-UHFFFAOYSA-N 381.233 3.818 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](C)CCC)nc2ccc(Cl)cc2c1=O 3369885 MKEKNOBYGGHRQB-LBPRGKRZSA-N 379.913 3.633 30 40 GHEB N#Cc1c(OCC(=O)NCc2ccccc2)nc(-c2ccccc2)c2c1CCC2 13687454 SDCCXZRETIWLFG-UHFFFAOYSA-N 383.451 3.804 30 40 GHEB CC(=O)/C(=N/Nc1ccccc1Cl)Sc1nnnn1-c1ccc(C)cc1 13810506 JPCRAISNNXYJCW-SILNSSARSA-N 386.868 3.731 30 40 GHEB CCCCC(=O)O/N=C1\CCCc2c1sc1nc3n(c(=O)c21)CCCCC3 5308245 VLJNMWLUAIMCLF-HYARGMPZSA-N 387.505 3.958 30 40 GHEB CN(C(=S)NC(=O)c1ccccc1)c1sc2c(c1C#N)CC(C)(C)OC2 6759443 JMRIGQFPFIUYLK-UHFFFAOYSA-N 385.514 3.622 30 40 GHEB COc1ccc(OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 7035411 CRXTVWFTKBCWEV-UHFFFAOYSA-N 383.404 3.546 30 40 GHEB C=CCn1c(CCCCCCC)nnc1SCC(=O)NCc1ccco1 408561004 UJEOAGWZZDIBPV-UHFFFAOYSA-N 376.526 3.979 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1OCc1cccc(F)c1 409349673 ULRUVSMGDBAWMP-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB COc1cccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCCC3)c1 13730083 WCQPZDVVSYLGAR-UHFFFAOYSA-N 379.460 3.982 30 40 GHEB N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C\c1ccc(Cl)cc1Cl 100393523 ANMXEFOUEGTNPV-NXGGXGCESA-N 384.226 3.574 30 40 GHEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)OC)cc2)S1 6870628 KKDYGEPBHPTDPM-ATVHPVEESA-N 382.441 3.764 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc21 100319817 XJEYIBOJDACAPL-YCYJFHTHSA-N 385.467 3.523 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1 9013406 OOSMORQNNYHMDY-MRJHHRETSA-N 392.499 3.759 30 40 GHEB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)C(F)(F)C(F)(F)F 2070421 SCZRYJZIBUJGRL-UHFFFAOYSA-N 391.224 3.976 30 40 GHEB C/C(CC(=O)c1ccccc1)=N/CC(O)C/N=C(\C)CC(=O)c1ccccc1 103060134 KAMQOUPMANBAAZ-KGOJTIBSSA-N 378.472 3.815 30 40 GHEB N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccccc2Cl)[nH]c1=O 5238228 WFLCBTHTGMNAPF-UHFFFAOYSA-N 396.859 3.693 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c1 8467789 MNPHWUTVFOHHCH-IBGZPJMESA-N 398.528 3.895 30 40 GHEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC(=O)OC)S2)cc1 408756103 TXRXXZUGZHBMFF-PDGQHHTCSA-N 396.468 3.692 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 226661632 XJEYIBOJDACAPL-KKXSNBIRSA-N 385.467 3.523 30 40 GHEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220538613 FTQVRCXTRJMHTG-LJQANCHMSA-N 399.516 3.553 30 40 GHEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2cccs2)CC1 11027252 SIPYNBCTILDPEV-CMDGGOBGSA-N 390.468 3.741 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@H](C)C(=O)N2C2CCCCC2)cc1 4538100 PVYPAXOHQROAFD-NIVDNSEKSA-N 380.535 3.590 30 40 GHEB O=C(CCCNC(=O)c1ccco1)Nc1cccc(C#Cc2cccs2)c1 24926573 JIDWMZLSGNJDSK-UHFFFAOYSA-N 378.453 3.890 30 40 GHEB OCCN(CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCc1ccccc1 1817756 CNQUSGVDECGRSM-SANMLTNESA-N 391.555 3.995 30 40 GHEB C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1 65453571 WDXITDLIICOKMK-OAHLLOKOSA-N 377.473 3.830 30 40 GHEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2 5335764 VOYXGNKPQBKGKG-GORDUTHDSA-N 388.217 3.685 30 40 GHEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 5923894 ONGGRVLZNVRERD-HNNXBMFYSA-N 385.464 3.976 30 40 GHEB C[C@H](OC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1ccccc1C#N 8546723 ORKCUXHBNLQQDU-KRWDZBQOSA-N 391.471 3.728 30 40 GHEB O/C(Cn1ccc2ccc(Br)cc21)=N\c1nc([C@@H]2CCCO2)n[nH]1 95475324 ZKLKNVQRAXZWCK-ZDUSSCGKSA-N 390.241 3.662 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242687280 UDMMOBAGWUVIBG-GUDVDZBRSA-N 375.877 3.826 30 40 GHEB O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccc(Cl)cc1 5214866 BGNWDQKLCFGVMA-SUQUQSPJSA-N 386.820 3.842 30 40 GHEB CC(=O)/C(=C/n1c(S)nc2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1C 1636528 ATBQMRZXFMQABA-UVTDQMKNSA-N 396.428 3.610 30 40 GHEB N#CCCn1cc(/C=C/C(=O)Oc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 2628665 JRMRZVSHOHTMCD-ZHACJKMWSA-N 388.383 3.991 30 40 GHEB CN1/C(=C\C(=O)COC(=O)c2n[nH]c3ccccc23)C(C)(C)c2ccccc21 32859688 AABHOLJWUUZYCF-UNOMPAQXSA-N 375.428 3.600 30 40 GHEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 664824 IJVYOBJTWKEPSM-LDADJPATSA-N 396.418 3.882 30 40 GHEB COCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 2730350 MFVFIHDNBRQOFC-RTPYTOBHSA-N 382.441 3.666 30 40 GHEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 2796717 OXDNEKJVTRDCBH-HXUWFJFHSA-N 395.459 3.575 30 40 GHEB COc1cccc(/C=N/CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O 4688185 VLUJPXPGXQUSGY-UFFVCSGVSA-N 383.326 3.859 30 40 GHEB N#Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(F)c1 10851557 YXMLJDAVLQKGOH-UHFFFAOYSA-N 388.395 3.821 30 40 GHEB C=CCN1C(=O)/C(=C\c2ccc(I)cc2)SC1=S 12363506 DJVVMCWHTWDGLD-DHZHZOJOSA-N 387.267 3.678 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc5c(c4)OCO5)[C@H]3C[C@@H]12 12655937 SGMJXGDUGJLFPJ-KCTCKKLASA-N 383.488 3.819 30 40 GHEB biogenic C=C(C)CN(CC)C(=O)CSc1nnc(NCc2ccc(OC)cc2)s1 12685249 RCJGHUZSZNCXRG-UHFFFAOYSA-N 392.550 3.676 30 40 GHEB COc1ccc(C(=O)/C=C2\OCC(C)(C)N2C(=O)c2ccc(OC)cc2)cc1 36625119 WNVZPGLUYMDZEB-MOSHPQCFSA-N 381.428 3.679 30 40 GHEB CCCn1c(N)c2c(=O)n(CCC)c(-c3ccc(Cl)cc3)cc2c(C#N)c1=O 68754892 MMOFXPPLOODKPA-UHFFFAOYSA-N 396.878 3.757 30 40 GHEB CSc1ncccc1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 102393923 NTAMMMLTSNKQJA-LDADJPATSA-N 382.485 3.841 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)cc1 102721792 BHFWAWWRABXHRV-HVESIFNPSA-N 380.425 3.979 30 40 GHEB COC(=O)[C@@H](c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(C#N)c1 169800434 IVGROHGAUDXBJJ-HNNXBMFYSA-N 375.178 3.534 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3cc(Cl)ccc3C)C(=O)NC2=S)cc1 408760602 BNBOEIUKHNGHDH-IZBZYRJBSA-N 385.876 3.723 30 40 GHEB Cc1cc(C)c(C#N)c(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)n1 1889184575 DGDUHBCCEXYRTQ-UHFFFAOYSA-N 387.487 3.505 30 40 GHEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc2ccccc12 4384812 REFRXJLVZLYWFD-QGZVFWFLSA-N 392.418 3.670 30 40 GHEB COc1cccc2cc(-c3cs/c(=N\N=C\c4ccccc4)[nH]3)c(=O)oc12 4808659 RIWNSIDSBYTEHG-SRZZPIQSSA-N 377.425 3.793 30 40 GHEB N#Cc1ccc(-c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1 7973875 VWBWZVWCTZLPCI-UHFFFAOYSA-N 396.402 3.817 30 40 GHEB N#Cc1ccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 8392166 PBCFBFWHBBNCOJ-UHFFFAOYSA-N 392.465 3.697 30 40 GHEB C=CCn1c(S[C@@H](CC)C(=O)NCc2ccccc2)nnc1-c1ccncc1 8944468 YIFXARGNXSLWQF-SFHVURJKSA-N 393.516 3.713 30 40 GHEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O 18196807 DUGLINPNJWYLND-HXUWFJFHSA-N 395.411 3.703 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 36883768 IOWYESDIZWHBJY-AUUYWEPGSA-N 394.862 3.618 30 40 GHEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O 100972691 CJUUMZWWQRRIIL-UHHPSXQGSA-N 384.498 3.557 30 40 GHEB COc1c(O)ccc(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)c1[N+](=O)[O-] 408721103 KNYUHQNZNJEYLE-DHDCSXOGSA-N 399.428 3.817 30 40 GHEB CC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F 2228478 KOWJQOYLMHWFCV-UHFFFAOYSA-N 376.204 3.562 30 40 GHEB biogenic C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1 4814699 CGVUQUNQRNCDLR-UHFFFAOYSA-N 385.518 3.935 30 40 GHEB Cc1ccc(N/N=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)cc1 4863835 QMHGZVGBULSREA-ZMOGYAJESA-N 387.443 3.962 30 40 GHEB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccc1 4957313 GPMYXJWWOPSOAQ-GLEDVZQVSA-N 397.500 3.683 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 5446187 UFHQUTZAFKAWGH-AZUAARDMSA-N 395.430 3.891 30 40 GHEB Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Br)c(C)c1 8369189 ARXSKHPJRVJMNS-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB Cc1c(C#N)c(NC(=O)COC(=O)c2cccs2)n(Cc2ccccc2)c1C 8539833 COEGNWNEPNMAAU-UHFFFAOYSA-N 393.468 3.882 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 8958793 UVHYGCKOPYXJCJ-UHFFFAOYSA-N 394.427 3.605 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3F)ccc21 8958811 WHILHDGEPNVFEA-UHFFFAOYSA-N 398.434 3.781 30 40 GHEB Cc1ccc(/C(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)=N\O)cc1 12338600 NOZXGYGSNGFYJO-QFBZFQIZSA-N 379.504 3.515 30 40 GHEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)Nc1nonc1N2 12409603 DIEFAULJNDTFRJ-DIFFPNOSSA-N 380.429 3.816 30 40 GHEB COc1ccc([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 12862072 JWHOJHCDUUTIKX-GTPZEUEISA-N 399.535 3.772 30 40 GHEB O=C(CCN1CCCC1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 19376250 KTWNROACPYCJLD-UHFFFAOYSA-N 375.516 3.891 30 40 GHEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249517 COSWTHTVKASYQH-WSDLNYQXSA-N 377.400 3.937 30 40 GHEB CCOc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCC#N 137915513 FQPCKVUJXCNTHH-QHZVTPNJSA-N 385.470 3.862 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 225822951 YTBRCPKILUFKAD-UHFFFAOYSA-N 396.472 3.797 30 40 GHEB CC1(C)CC(=O)C(=CN=c2cc(-c3cccc(Br)c3)[nH][nH]2)C(=O)C1 408923091 OVUOMFXMMFSCBL-UHFFFAOYSA-N 388.265 3.515 30 40 GHEB C#CCOc1ccc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1Br 408930030 RBVCFHQKIQSPLR-FFAYTRQJSA-N 393.306 3.773 30 40 GHEB N#Cc1c(/C=C\c2ccc(F)cc2)c(C(=O)O)nn(-c2ccc(Cl)cc2)c1=O 409197647 LIQNQZAFLVHPRR-KMKOMSMNSA-N 395.777 3.765 30 40 GHEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)s1 2704471 UAFMOCINILLFBA-MRXNPFEDSA-N 395.440 3.526 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 3094368 JKXAWBAXKZRPLV-HXUWFJFHSA-N 385.460 3.625 30 40 GHEB COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)ccc1OCC#N 4664331 NLNKSHWBZXATHB-OUUNKBNMSA-N 379.441 3.831 30 40 GHEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(OC)cc(OC)c1 4943532 YXUAVYKULLJQKJ-UHFFFAOYSA-N 379.416 3.582 30 40 GHEB N#CCCN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 8649681 RXRDKKNXAIGSNQ-UHFFFAOYSA-N 393.418 3.730 30 40 GHEB CCn1cc(/C=C2/Oc3cc(OCC(=O)OC)ccc3C2=O)c2ccccc21 8992176 MYGIBUVOJKCJOB-KEBDBYFISA-N 377.396 3.829 30 40 GHEB CCN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 12488122 ISTYUYUNBPSMOU-BUOZRGFLSA-N 393.399 3.875 30 40 GHEB aggregator C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ncccc2c1=O 31615083 GQHWQSDNLFBPAF-UHFFFAOYSA-N 394.500 3.634 30 40 GHEB CC(=O)c1cc(C#N)c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc1C 32741626 ASXHFSHCKBTFTF-IBGZPJMESA-N 379.485 3.920 30 40 GHEB N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2 36081546 FMVPVXKSPWVULX-UHFFFAOYSA-N 382.445 3.869 30 40 GHEB C#CCN(Cc1ccco1)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1 58007893 VJKWWLQNRKGSGR-UHFFFAOYSA-N 390.439 3.928 30 40 GHEB C=CCOc1ccc(NC(=S)NCc2cc(OC)c(OC)c(OC)c2)cc1 225574088 MHNVATPUUMZETB-UHFFFAOYSA-N 388.489 3.764 30 40 GHEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1cc(Cl)cc(Cl)c1 408535703 OMRVFQCPTWOEMT-GFCCVEGCSA-N 394.189 3.734 30 40 GHEB CC/N=C1/S/C(=C/c2cn(CC(=O)OCC)c3ccccc23)C(=O)N1CC 408928452 BLEIYHVXWXOTMT-QTFLQNGUSA-N 385.489 3.517 30 40 GHEB C/N=C1/S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1C 408929963 QDELMUPCQMRFTI-QSAFIDALSA-N 383.429 3.706 30 40 GHEB C=CCn1c(SCC(=O)NCC)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 3382637 LCGIPPCNDCDHCJ-CYBMUJFWSA-N 390.578 3.936 30 40 GHEB C=CCSc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1 4161587 AJEDHUMECPZREK-UHFFFAOYSA-N 382.485 3.935 30 40 GHEB C=CCNC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12 4860894 RMQXBJVOCODEKM-UHFFFAOYSA-N 376.894 3.801 30 40 GHEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cc(OC)cc(OC)c1 4943537 QHDIDZRXGQUIDV-UHFFFAOYSA-N 393.443 3.891 30 40 GHEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(NCC)c([N+](=O)[O-])c2)c1C 5688962 GNOIZXAWTXINQV-UHFFFAOYSA-N 385.420 3.671 30 40 GHEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C)cc1Br 8254588 PIKGJYXBYADXFM-SOUVJXGZSA-N 394.382 3.940 30 40 GHEB biogenic,in-vitro C=CCn1c(N2CCC(C(=O)NCc3cccs3)CC2)nc2ccccc21 12116468 XHRUVBMSGLNCKS-UHFFFAOYSA-N 380.517 3.817 30 40 GHEB CC(=O)c1cccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 17207870 HGBJRTHQTXOEDY-UHFFFAOYSA-O 394.882 3.884 30 40 GHEB N#Cc1cccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126634 BNVQLKMOESTXNV-UHFFFAOYSA-N 386.436 3.635 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1O)c1cccs1 96336110 DGSQNXCKDUCNJV-CQSZACIVSA-N 384.438 3.693 30 40 GHEB Cc1ccoc1C(=O)[C@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 101009788 DXTXHOHYRKRHFR-GFCCVEGCSA-N 389.289 3.862 30 40 GHEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 101662514 JMRUHUAVKUZUQH-IBGZPJMESA-N 379.888 3.950 30 40 GHEB COc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc1OC 408752411 GZLNSBYATZRGOP-LICLKQGHSA-N 399.428 3.812 30 40 GHEB Cc1ccc(C(=O)C/C(=N/c2ccc(S(N)(=O)=O)cc2)C(F)(F)F)cc1 504173176 UZXBSHCYSOVOFX-JWGURIENSA-N 384.379 3.550 30 40 GHEB C=CCN(CC=C)C(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 6087456 PPVYTJKAUHMJCA-UHFFFAOYSA-N 379.485 3.634 30 40 GHEB CCNC(=S)N/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 6154273 JWDAWWJQEDANCQ-SSDVNMTOSA-N 385.562 3.724 30 40 GHEB C/C(=N/Oc1ncc([N+](=O)[O-])c(O/N=C(\C)c2ccccc2)n1)c1ccccc1 17175398 CXIGTEINMCPTJC-KZSQTELISA-N 391.387 3.991 30 40 GHEB COc1ccc(Cc2nc(C#N)c(N3CCN(c4ccc(F)cc4)CC3)o2)cc1 27562621 ZLVWGNHLNSBOLY-UHFFFAOYSA-N 392.434 3.611 30 40 GHEB C[C@H](C#N)CNc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 72307607 WHQCJYYIEFGTMO-LLVKDONJSA-N 394.840 3.621 30 40 GHEB N#Cc1nc(-c2cccc(F)c2)oc1NC[C@H](c1cccs1)N1CCOCC1 96346385 WICJZIJNAFPPOU-QGZVFWFLSA-N 398.463 3.899 30 40 GHEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)N1C 101957118 IFPNHEKBMUGBPB-WBCKRXDOSA-N 396.468 3.946 30 40 GHEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803504 WKDVPOVBGUPKFL-LFVOPCPISA-N 390.395 3.618 30 40 GHEB N#C[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 103530893 DVDPJVLXKDRKAQ-SSGKUCQKSA-N 391.430 3.879 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1cccs1 225142282 PKGXDDRBQAAJHB-UHFFFAOYSA-N 385.894 3.960 30 40 GHEB CCC[C@@H](OC(=O)C(F)(F)F)C1=C(Cl)CC(C)(C)[C@H](C(=O)OC)C1=O 3071558 RARXKXYVAQWDPT-KOLCDFICSA-N 384.778 3.542 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)COc3ncnc4ccccc34)c2C#N)C1 3266491 GFQRAQKPEQPVPC-LBPRGKRZSA-N 378.457 3.705 30 40 GHEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/N1C(=O)CSC1=S 3323319 CMCIDCJYTPAABR-UBKPWBPPSA-N 385.301 3.682 30 40 GHEB C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[nH]c(=O)c2[C@@H]1c1ccccc1 4292296 IFUIVMIPOYOLQV-MRXNPFEDSA-N 395.484 3.609 30 40 GHEB CCOC(=O)/C(Cc1ccccc1)=N/Nc1cc2c(C)cc(=O)oc2cc1C 4545056 LSBFYUGNPSQALT-LYBHJNIJSA-N 378.428 3.984 30 40 GHEB Cc1ccc2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc2c1C 4585340 VXJKLHBWAMSOLQ-UHFFFAOYSA-N 376.485 3.747 30 40 GHEB CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(Br)cc1 6720036 KSSQZLFHMANOEU-MRXNPFEDSA-N 388.217 3.644 30 40 GHEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C)o2)cc1OC 7734673 CZIOHJJIRRXBFX-GOSISDBHSA-N 385.460 3.983 30 40 GHEB CN1C(=O)c2ccc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)cc2C1=O 22416053 OGGLVDDHXLMCFX-UHFFFAOYSA-N 396.402 3.808 30 40 GHEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC)ccc1Cl 25425712 DLVORKZUMKWOMJ-UHFFFAOYSA-N 392.908 3.861 30 40 GHEB N#Cc1c(N)nc(-c2ccc(Cl)cc2)c2c1-c1ccccc1S(=O)(=O)CC2 31895409 FWDKOPAYGFJDEM-UHFFFAOYSA-N 395.871 3.853 30 40 GHEB O=C1CCCC2=C1[C@H](c1ccccc1F)c1c([nH]n(-c3ccccc3)c1=O)N2 102578162 PRVGKOBCYXEIJO-SFHVURJKSA-N 375.403 3.869 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 408603094 QCXCRPMYLVBFSA-UHFFFAOYSA-N 389.249 3.964 30 40 GHEB Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccccc3)c(C#N)c2=O)cc1Cl 409205660 JEIZDLROQRXXQN-CSKARUKUSA-N 391.814 3.935 30 40 GHEB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 678898 FPBGJXUIAXXTQE-UHFFFAOYSA-N 391.905 3.897 30 40 GHEB Cc1ccccc1-n1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21 943956 JLNYKSWPRYCYHI-UHFFFAOYSA-N 390.410 3.598 30 40 GHEB CCCCC1=NN(C(=O)C(C)C)[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 4416427 NFAZITWMQBIGHC-NSHDSACASA-N 380.304 3.942 30 40 GHEB COc1cccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1OC 4457552 IJYGJKUWMLXRCG-YPAWHYETSA-N 399.450 3.694 30 40 GHEB Cc1nn(-c2ccccc2)c(O)c1/C=N/CCCNc1ccc([N+](=O)[O-])cc1 6545580 ICFDNGCXNAJAKP-KGENOOAVSA-N 379.420 3.716 30 40 GHEB O=C1COc2ccc(C(=O)/C=C/c3ccc(Br)cc3F)cc2N1 7333693 APVIERPPINFMHT-GORDUTHDSA-N 376.181 3.815 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 7763735 QAHCELFKRLRWGJ-SGTLLEGYSA-N 389.550 3.877 30 40 GHEB O=S(=O)(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1 20929413 OTUIAGNSOOQBNU-WOJGMQOQSA-N 392.893 3.853 30 40 GHEB CNC(=O)c1ccc(CN(C)c2cc(C)c(C#N)c3nc4ccccc4n23)cc1 25251902 NZJSLAMGKZNFGR-UHFFFAOYSA-N 383.455 3.664 30 40 GHEB CCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32765199 QVJYLHHQZWBOER-MRXNPFEDSA-N 386.864 3.754 30 40 GHEB CCOC(=O)c1cc2c(N)c(C(=O)OCc3ccc(C#N)cc3)sc2nc1C 32929428 ALPPZLOLTCPITC-UHFFFAOYSA-N 395.440 3.592 30 40 GHEB COC(=O)c1ccc([C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 35369274 TTYFPQQXVOHDAF-FKBYEOEOSA-N 397.434 3.589 30 40 GHEB Cc1cncc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)c1 585295092 ZUCSLWHFTUQSPD-GOSISDBHSA-N 376.489 3.616 30 40 GHEB COc1cc(OC)cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 989317 CRYWRILZWVNKGC-VJBWXMMDSA-N 399.450 3.694 30 40 GHEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3c(c2)CCC3)nc1C 24969967 WPHYXIXCTBZLQJ-UHFFFAOYSA-N 397.529 3.926 30 40 GHEB O=C1Nc2ccccc2/C1=N/N=c1/[nH]c(-c2ccc(Br)cc2)cs1 13465520 VKHFATHQACURET-UHFFFAOYSA-N 399.273 3.763 30 40 GHEB COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc(Cl)c1O 7586484 QELCEOOWVSGQNX-GORDUTHDSA-N 391.826 3.926 30 40 GHEB CCOC(=O)N1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1 16742553 KUXZCOYOTMPASS-UHFFFAOYSA-N 376.416 3.645 30 40 GHEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408809505 HHUWIOOYQXOYLX-LFIBNONCSA-N 396.830 3.880 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 408812902 XMRPFBFAIUAFCP-FOWTUZBSSA-N 396.830 3.880 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 408916734 GRFMCLIAEBSEIL-RVDMUPIBSA-N 393.306 3.965 30 40 GHEB C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCCCC1 10343848 KALCHXKBJOMCIT-MRXNPFEDSA-N 381.520 3.963 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 104180537 HWNHHEUORQSWDR-MRPLLJTBSA-N 383.454 3.534 30 40 GHEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCC(c2nc3ccccc3o2)CC1 24985770 HAIJBHJQSRMVHV-ZDUSSCGKSA-N 380.473 3.968 30 40 GHEB CN1CCC(=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1 6712455 JRHODJBAZOWNIH-UHFFFAOYSA-N 388.479 3.852 30 40 GHEB N/C(=N/OCc1cc(-c2ccccc2)no1)c1cccnc1N1CCCCC1 58498132 WNEHFAZOJCSCIP-UHFFFAOYSA-N 377.448 3.564 30 40 GHEB COCC/N=C(/S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 13685289 MIMKRMQQSUSCMZ-GOSISDBHSA-N 392.546 3.645 30 40 GHEB C[C@]1(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1(Cl)Cl 8329538 LPBSOCXVKPIZDN-OAHLLOKOSA-N 387.288 3.564 30 40 GHEB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 18195067 GXXOEMNERKORLX-FQEVSTJZSA-N 377.419 3.827 30 40 GHEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408708508 JEWDNZOFWJIQJF-UHFFFAOYSA-N 375.513 3.630 30 40 GHEB N#C[C@]1(C=O)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218589153 NDPOGSSNHYPNBQ-BBWFWOEESA-N 380.252 3.642 30 40 GHEB C=CCN(c1ccc(C(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 224371538 YFXSLSLXAOHYGD-UHFFFAOYSA-N 396.468 3.591 30 40 GHEB CCCCCCCn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 97992790 VNFLKBZSQWIEHE-UHFFFAOYSA-N 380.448 3.578 30 40 GHEB CCOc1ccc([C@@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)cc1 20150290 TVARNBDNDFMTRH-ZDUSSCGKSA-N 378.457 3.931 30 40 GHEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C(=O)O)cc1 34380145 CWNMKUPTWIKJBQ-CZZIWQEQSA-N 396.424 3.737 30 40 GHEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6564498 NGLCOUMYXHNXEU-SFHVURJKSA-N 380.400 3.973 30 40 GHEB COc1cc(OC)c(OC)c([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 20797108 WVEVCZBIJCXPMU-FQEVSTJZSA-N 393.443 3.940 30 40 GHEB N#Cc1ccc(OCCOC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 12278580 NSWKVLLEVURLQX-UHFFFAOYSA-N 380.375 3.907 30 40 GHEB C/C=C/C=C/[C@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@@H](C)O)C1=O 100066069 AIFXMSDWXBFQTF-KAVWMNFVSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1 409197123 WOGNZKHRLZWJPE-WDZFZDKYSA-N 391.814 3.935 30 40 GHEB N/C(CC(=O)Nc1ccc(Cl)cc1)=N\OC(=O)c1ccc(C(F)(F)F)cc1 14074953 OCDSSOMIFXLYTG-UHFFFAOYSA-N 399.756 3.817 30 40 GHEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3C[C@@H]2C)n(C[C@@H]2CCCO2)c1C 8193805 PVUSWTYKDNABPX-KXBFYZLASA-N 392.503 3.545 30 40 GHEB Cc1c(C)n(-c2ccccn2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 9060804 QXBJYBDJRRGPAL-BRJLIKDPSA-N 397.442 3.631 30 40 GHEB CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408945862 XPBMQCPAMWGAKQ-MHWRWJLKSA-N 391.832 3.732 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 40113002 XKWPGZVOZXRSCT-ZDUSSCGKSA-N 395.894 3.551 30 40 GHEB COc1ccc(-n2ccnc2SCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 23138940 SIVOXPRYVMCYER-HNNXBMFYSA-N 384.486 3.614 30 40 GHEB CCCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1CC 7605286 PCYJODMYSCQWHQ-UHFFFAOYSA-N 389.550 3.793 30 40 GHEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)o2)c1 12418352 VXBBFVVRGWAOBH-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 15011668 NSZBKZDOLOTVRR-PDGQHHTCSA-N 396.830 3.567 30 40 GHEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)c1 18165975 CPJNYUICFVMMPT-FQEVSTJZSA-N 396.487 3.735 30 40 GHEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1ncnc1N2 18222039 YGWUEIKJBWTKOE-RBZFPXEDSA-N 378.382 3.972 30 40 GHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 30320098 LJVGECVKFWDVAM-UHFFFAOYSA-N 381.881 3.734 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)cs1 32787256 ODLZKVGAEMMNFW-UHFFFAOYSA-N 385.518 3.551 30 40 GHEB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 40107117 DEDYJYPVTMTKQQ-RTBURBONSA-N 391.515 3.874 30 40 GHEB COc1cc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)cc(Cl)c1OC 42321224 XABMSRHTYBKBDC-CMDGGOBGSA-N 381.837 3.663 30 40 GHEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 50204650 SUQUXFYWSWSJRO-CABCVRRESA-N 393.848 3.560 30 40 GHEB COc1cc(N[C@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)cc(OC)c1 83920148 FJJMQLZNZPQWGK-KRWDZBQOSA-N 380.448 3.684 30 40 GHEB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2=O)c1C 84213419 NBHPHUHDOGRPHS-KRWDZBQOSA-N 378.476 3.723 30 40 GHEB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C\c1ccccc1C#N 98002092 GPXOYXNCJKUBNR-YFHOEESVSA-N 392.846 3.510 30 40 GHEB C=CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 101219173 FHBKSFJVKQCKMQ-NRTINQSCSA-N 386.498 3.542 30 40 GHEB CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218572688 DJLNZCHPUUSVRH-CEXWTWQISA-N 393.867 3.965 30 40 GHEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1Cl 225870453 IUTMAVKNIQMUJG-UHFFFAOYSA-N 391.906 3.970 30 40 GHEB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl 409088976 IAFIRMUACPGOBD-SDQBBNPISA-N 392.194 3.801 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccn1 409250708 XYNJUUDESDNJLX-RGVLZGJSSA-N 380.364 3.752 30 40 GHEB Cc1cc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)ccc1Cl 409364482 YDYARCZHBNBYQN-UHFFFAOYSA-N 378.819 3.737 30 40 GHEB N#Cc1cc(F)ccc1CN1CCC[C@]12CCCN(C(=O)c1ccncc1)CC2 585100324 JZDRDKSSDACQHU-QHCPKHFHSA-N 392.478 3.753 30 40 GHEB COc1cccc(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 4687588 WHFSSFSRKRDTSO-UFFVCSGVSA-N 383.326 3.859 30 40 GHEB COc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1CSCC(=O)O 7913155 IHEJYTNIXKIVCU-WEVVVXLNSA-N 399.468 3.868 30 40 GHEB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl 12803355 PFSQSTNNRVVDJG-IBGZPJMESA-N 391.924 3.573 30 40 GHEB COC[C@H](C)N1/C(=N/c2cccnc2)SC[C@@]1(O)c1cc2ccccc2o1 13067200 JTJDHJFWWKNJPL-WBZBZWEBSA-N 383.473 3.744 30 40 GHEB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cn2ccccc2c1C#N 40040081 BDCFZMRLWMFPDM-JOCHJYFZSA-N 385.423 3.818 30 40 GHEB N#Cc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 51315357 VRIDLLMEUOMXPM-UHFFFAOYSA-N 389.289 3.864 30 40 GHEB C[C@H]1CCc2sc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2C1 58967212 RJVLUIJFNMNHIW-INIZCTEOSA-N 381.545 3.949 30 40 GHEB N#Cc1c(NC(=O)CSc2nncs2)sc2c1-c1ccccc1CC2 89857665 LJFQPJKUHOQPQM-UHFFFAOYSA-N 384.511 3.968 30 40 GHEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102881011 DMRFWWZCEWVZSA-YDJIHCHBSA-N 389.407 3.910 30 40 GHEB O=[N+]([O-])c1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408844673 KTVUFCFJBLLSJH-YVLHZVERSA-N 380.198 3.538 30 40 GHEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O 409318632 ZBRLVDCRSMDSPF-UHFFFAOYSA-N 386.249 3.699 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(C)cc2c1=O 784833 OBOGBAPWMPITKN-UHFFFAOYSA-N 385.514 3.992 30 40 GHEB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC#N)cc1 3511934 LFWKXQBLCCYZLZ-YBEGLDIGSA-N 377.425 3.724 30 40 GHEB N#Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(F)c1 9190329 ZBUREHHKSHFXQH-UHFFFAOYSA-N 375.338 3.823 30 40 GHEB COc1ccc(OC)c(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)c1 4812616 JNFWETOQUZZJLM-OEAKJJBVSA-N 377.448 3.860 30 40 GHEB Cc1cccc(COc2cccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 409402342 DXYMKGANIANEET-BLKABHOGSA-N 386.451 3.715 30 40 GHEB C=CCN(c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1)S(C)(=O)=O 222770133 RUBCTEQFAYVHRW-UHFFFAOYSA-N 394.496 3.722 30 40 GHEB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC 8163759 JXXQXAYVIPPJPR-VCHYOVAHSA-N 380.425 3.812 30 40 GHEB O=C(CCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CC[C@H](O)C1=O 14489986 JIYFQPUFIZPUKY-SFHVURJKSA-N 388.460 3.794 30 40 GHEB biogenic,in-vitro CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Cl 3165460 HZDKFNNAVDQQTR-UHFFFAOYSA-N 397.909 3.602 30 40 GHEB CCCCc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 109236792 QBYAKQPQDGIXRD-GYHWCHFESA-N 377.488 3.786 30 40 GHEB Cc1cccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)c1C 113482621 SDKNZXVRLGXNIW-KRWDZBQOSA-N 378.457 3.618 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 32769756 SXQAFVOVRFIXJQ-CQSZACIVSA-N 382.869 3.738 30 40 GHEB CCNC(=S)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(OC)c1 33286706 QUAPELVKKGQLSL-NHDPSOOVSA-N 377.897 3.746 30 40 GHEB O=C(C[C@H]1S/C(=N/C2CCCC2)NC1=O)Nc1cccc(C(F)(F)F)c1 21132064 JQPJMYPGJYPZJM-CYBMUJFWSA-N 385.411 3.564 30 40 GHEB CC/N=C1\S/C(=C\c2ccccc2I)C(=O)N1CC 108185643 XWSAQFXJKHLYHV-GNMDZJRLSA-N 386.258 3.603 30 40 GHEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 2375222 LBRBZPLTNHPZMG-IXDOHACOSA-N 379.508 3.636 30 40 GHEB Cc1ccc(-c2nnc(S)n2/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1 2751883 CYAXJROAUWURJM-CIAFOILYSA-N 390.472 3.624 30 40 GHEB O=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4)cc([N+](=O)[O-])c3O)cc2[nH]1 4150568 ODEMEYVKTYSGSN-WSDLNYQXSA-N 388.383 3.811 30 40 GHEB COc1ccc(N/C(S)=N\[C@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1 13686123 YQQPQADAOSBLTQ-UZLBHIALSA-N 385.533 3.855 30 40 GHEB C[C@H]1S/C(=N\S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O 13843603 FRTOGEQNVZUISY-RKQLKTQESA-N 380.878 3.553 30 40 GHEB Cc1cc(C)cc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408742877 TWLAMSPZZPDIQV-CTJICSLTSA-N 385.876 3.723 30 40 GHEB COCCNc1nc(Nc2cccc(OC)c2)c(C#N)c2c1COC(C)(C)C2 20590456 GZAOTOXPJMGMSM-UHFFFAOYSA-N 382.464 3.615 30 40 GHEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(F)cc1 224922888 DOIUWKZJENNJMJ-UHFFFAOYSA-N 377.437 3.692 30 40 GHEB C[C@H]1CCC[C@@H](C)N1C1=NC2(CCN(Cc3ccccc3)CC2)[C@@H](C#N)C(O)=N1 40180582 MVYZYFSMRHOJSP-NSHGMRRFSA-N 393.535 3.750 30 40 GHEB C=CCN(c1ccc(C(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccccc1 224374760 LKVHZMSKGHAICB-UHFFFAOYSA-N 386.517 3.844 30 40 GHEB CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@@H](C(C)=O)[C@H]3C2=CO1 1614975695 GAIVGINVGXHEIA-PCXBLWKLSA-N 382.456 3.979 30 40 GHEB biogenic N#Cc1ccnc(OCC2CCN(c3cnc4cc(Cl)ccc4n3)CC2)c1 1889205588 PAIRUCKNHOZHJE-UHFFFAOYSA-N 379.851 3.845 30 40 GHEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@H]2C1 2087048842 LYNWTQFPHVGEQV-OKILXGFUSA-N 381.892 3.789 30 40 GHEB C=CCn1c(-c2ccc(Cl)cc2Cl)nn(CN2CCOCC2)c1=S 19596956 DYVODTYJNWADOS-UHFFFAOYSA-N 385.320 3.864 30 40 GHEB C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 2432930 GEHJHMNEWKOZNK-UHFFFAOYSA-N 376.416 3.858 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)no1 5800485 BDZMUOHYWLLJNC-QGZVFWFLSA-N 395.802 3.814 30 40 GHEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 5901074 RDKAFYPVIHQORB-RBFBNPFJSA-N 398.411 3.650 30 40 GHEB biogenic COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c(OC)c1 6052667 NMGNWIHFQFVPFZ-SFHVURJKSA-N 386.835 3.868 30 40 GHEB O=C1C=CC(=NNc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C=C1 6146841 MCNCZMJQSKUZDN-UHFFFAOYSA-N 387.848 3.604 30 40 GHEB Cc1ccccc1C(=O)N1CCN(c2oc(/C=C/c3ccccc3)nc2C#N)CC1 12418544 PQGFGWAFOYNFGM-VAWYXSNFSA-N 398.466 3.988 30 40 GHEB COc1cc([C@@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)cc(OC)c1OC 15108075 KQTWUMGPCCWJSA-HXUWFJFHSA-N 393.443 3.918 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 20065860 WJIAUISHCRKEOF-NRFANRHFSA-N 392.499 3.915 30 40 GHEB C=CCN1c2ccc(C(=O)NC3CCCC3)cc2-c2ccccc2S1(=O)=O 33271874 IJYCRFGAZCCAJM-UHFFFAOYSA-N 382.485 3.721 30 40 GHEB CC(C)[C@H](NCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCCO2 57383295 GNQGMECXKNOAEN-IBGZPJMESA-N 385.489 3.706 30 40 GHEB N/C(=N/OCc1csc(Br)c1)c1ccnc(N2CCCCC2)c1 58498776 NPEDHYXJGSNZSJ-UHFFFAOYSA-N 395.326 3.733 30 40 GHEB N#Cc1ccc(CSc2ccccc2C(=O)OCc2nnnn2C2CC2)cc1 69978381 OMSGMWMCXDJNGE-UHFFFAOYSA-N 391.456 3.529 30 40 GHEB Cc1nnc([C@@H]2CCCN2C(=O)c2cccc(COc3cccc(C#N)c3)c2)o1 89736267 QREXSSUZGFPRFT-FQEVSTJZSA-N 388.427 3.806 30 40 GHEB O=C(Cc1c[nH]c2ccccc12)NCC#CCOc1cccc(C(F)(F)F)c1 90610457 JPIHFVCVHCQKKD-UHFFFAOYSA-N 386.373 3.928 30 40 GHEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1c[nH]nc1-c1nccs1 583851580 UCKMKIOJNBTNMH-ZBFHGGJFSA-N 378.461 3.837 30 40 GHEB CC(C)(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 34868084 UNPBWKPDNCMBEJ-UHFFFAOYSA-N 399.516 3.707 30 40 GHEB N#Cc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 10412091 VRODZDTZIRFUIK-UHFFFAOYSA-N 388.876 3.937 30 40 GHEB CCOc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1OCC 3235607 BAFJBFWKFYBHRY-UHFFFAOYSA-N 396.443 3.588 30 40 GHEB CCc1cc2c(cc1N1CCNCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114801208 QOOBZTFFJGMTCR-UHFFFAOYSA-N 398.510 3.882 30 40 GHEB C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 9944519 LZBZJBXSJDXUNB-NWDGAFQWSA-N 376.551 3.673 30 40 GHEB C=CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 409092888 WOFWRMLSLFIBCR-RQNDZEIBSA-N 391.514 3.640 30 40 GHEB Cc1ccc(C(=O)O)cc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409107489 WDTSBUNDJXSWGE-REZTVBANSA-N 379.166 3.820 30 40 GHEB COC(=O)c1ccc([C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 36000000 TTYFPQQXVOHDAF-FDFHNCONSA-N 397.434 3.589 30 40 GHEB N#Cc1nc(/C=C/c2ccccc2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138164301 FYAGZLQIDRNOSJ-GBXWSJCFSA-N 384.439 3.502 30 40 GHEB CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/c1ccc(C(=O)O)cc1 83316761 OUNLRDPTTCFMPL-PXJVAEEZSA-N 383.385 3.527 30 40 GHEB Cc1ncsc1-c1nc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@H]1C#N 598091628 VPDQYIYCTXCBHC-LSDHHAIUSA-N 379.489 3.667 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(-c4cccc(O)c4)nn32)cc1 6732506 NVYRELADKXNHTB-FQEVSTJZSA-N 388.427 3.681 30 40 GHEB C=CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cccc(OC)c21 100909721 NPFCIGTVRJKGSW-DQRAZIAOSA-N 392.436 3.745 30 40 GHEB N#C/C(=N/Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33676483 ANUINNMGSLTZAG-STZFKDTASA-N 394.372 3.966 30 40 GHEB O=C1/C(=N/Nc2ccc3c(c2)OCCO3)C(c2ccccc2)=NN1c1ccccc1 100437524 SNVRCTZINQMERP-YYDJUVGSSA-N 398.422 3.677 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc(C)cc2c1=O 784831 ZOSXLFXTICVKFT-UHFFFAOYSA-N 385.514 3.992 30 40 GHEB N#Cc1ccc([C@H]2NC(=O)CN2Cc2ccc(OCc3ccccc3)cc2)cc1 58162113 RQZBRWNEWWUAHO-DEOSSOPVSA-N 383.451 3.768 30 40 GHEB Cc1cccc(-c2noc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)n2)c1 29712136 TXWWYTWYVJBTBA-UHFFFAOYSA-N 387.487 3.625 30 40 GHEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(F)c1 2334837 LDRQBTVNBSTOGO-UHFFFAOYSA-N 388.493 3.986 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Cl)OCO2 19731304 IIDIQSTVEROVTK-SFHVURJKSA-N 389.835 3.600 30 40 GHEB O=C(O)CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 6813932 MYAHNKUKRVMWRU-YDJIHCHBSA-N 393.439 3.753 30 40 GHEB C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccco1 4944048 ZPECONIQTRWWBE-UHFFFAOYSA-N 382.445 3.658 30 40 GHEB C=CCn1c(SC)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 8873610 SANBRLQNFPQKCJ-UHFFFAOYSA-N 386.428 3.822 30 40 GHEB CCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](C)CC1=O)N2 22608511 SVSOUUCYNXOCNH-HWPZZCPQSA-N 385.449 3.566 30 40 GHEB C#CCOc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC 408593065 ORABIZOXRKDQQZ-WSDLNYQXSA-N 399.244 3.892 30 40 GHEB Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc(C#N)cc3)CC2)c1 32912668 FWMHCQNQBLFHMA-UHFFFAOYSA-N 391.519 3.591 30 40 GHEB C=CCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)c1nc2c(s1)CCCC2 36732790 SWANKJYNBHGKIT-UHFFFAOYSA-N 397.500 3.505 30 40 GHEB Brc1ccc(OCCOc2ccc(/C=N/c3nnc[nH]3)cc2)cc1 4511452 PWCJGUDOYZTJCX-YBFXNURJSA-N 387.237 3.776 30 40 GHEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 870238 LSFQNRBVPUTPPX-LTUQMTLXSA-N 389.427 3.945 30 40 GHEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccccc1)[N+](C)(C)CC3)OCO2 1280400 XMLKRVFIXBNAEE-JBVUFVISSA-N 380.464 3.770 30 40 GHEB biogenic C=CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccccc1 3485351 NNNSUBKLVQCSIJ-UHFFFAOYSA-N 394.500 3.548 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1 5800685 DOBMPAXVYJDQNO-GOSISDBHSA-N 389.386 3.707 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccco1 8023372 JPIDBBMQTFZMHP-MRXNPFEDSA-N 375.446 3.735 30 40 GHEB O=C(O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 13352158 UFIARUCIVFXAOY-DNTJNYDQSA-N 383.282 3.523 30 40 GHEB N#Cc1ccc(CN2CCCN(CCC(=O)Nc3ccccc3Cl)CC2)cc1 25934035 RYEMDVWLHIQWIE-UHFFFAOYSA-N 396.922 3.748 30 40 GHEB CN(C)c1ccc([C@H](CNc2oc(-c3ccccc3)nc2C#N)N(C)C)cc1 27991054 UWVDQIWCLCIHBL-FQEVSTJZSA-N 375.476 3.994 30 40 GHEB N#Cc1ccccc1-c1ccc(CN2C(=O)Nc3ccccc3S2(=O)=O)cc1 79020061 NWIQCSMSUKSDLV-UHFFFAOYSA-N 389.436 3.962 30 40 GHEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)o1 95451321 AGTCNPMPCJMOJO-ZWKOTPCHSA-N 378.428 3.704 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(-c2ccco2)cs1 1775969100 XNHBIAHVBUOYTF-UHFFFAOYSA-N 385.832 3.788 30 40 GHEB N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)c1ccc(Br)cc1 27664021 AXEYOQIJYBVXHV-UHFFFAOYSA-N 389.230 3.809 30 40 GHEB C=CCOc1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1 100755980 YYSMFMOPIHBDDI-XMSQKQJNSA-N 376.504 3.903 30 40 GHEB C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3226619 DADRXQIQZVGSRF-KRWDZBQOSA-N 396.512 3.641 30 40 GHEB COC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(C)c1 409066595 BYXRWGOVXOYJGF-QGMBQPNBSA-N 393.193 3.909 30 40 GHEB CC[C@H](C)C(=O)/N=C(\NCCc1c[nH]c2ccccc12)Nc1nc(C)cc(C)n1 65166416 ISVLWLXBNRVTGB-AWEZNQCLSA-N 392.507 3.748 30 40 GHEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cccc(Br)c1 408582397 NSGUHYUQJLMTPP-UHFFFAOYSA-N 375.222 3.980 30 40 GHEB Cc1ccc(C(=O)O)cc1/N=C\c1ccc(O)c(I)c1 408905063 SORLASWGMWAEJG-IUXPMGMMSA-N 381.169 3.754 30 40 GHEB CCOc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408773124 PGVDQJAYBXTDHR-OEAKJJBVSA-N 391.427 3.684 30 40 GHEB COc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OC 408593079 OVGMSAVBSFZCTD-NVMNQCDNSA-N 395.209 3.925 30 40 GHEB CCOC(=O)CC(=O)c1sc(SCc2ccc(F)c(F)c2)c(C#N)c1N 36360126 PUCXZVHZQVWBAK-UHFFFAOYSA-N 396.440 3.908 30 40 GHEB CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222316064 BXROBWWXAGKEMJ-FCZCMBPNSA-N 386.451 3.626 30 40 GHEB O=c1[nH]ncc(N/N=C\c2ccccc2OCc2ccccc2)c1Br 96300395 VIVXBOUSEPUALR-JMIUGGIZSA-N 399.248 3.557 30 40 GHEB CC(=O)C(=C(I)I)c1ccccc1 5601829 YAUITSQVLXYQDV-UHFFFAOYSA-N 397.981 3.814 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 16974730 QWWYDAHWUCFKEX-IBGZPJMESA-N 383.419 3.749 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 102798336 KOZNRSPDDJJVMZ-GHNGSUTGSA-N 385.847 3.717 30 40 GHEB N#Cc1ccccc1-c1ccc(CSc2nnnn2C[C@H]2CCCO2)cc1 23053514 OIFQQCVVVMZPMX-GOSISDBHSA-N 377.473 3.683 30 40 GHEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 915047 UOFFBFGRHNHYBT-OAQYLSRUSA-N 390.443 3.744 30 40 GHEB CCc1cc2c(SCc3nc4ccccc4c(=O)n3CC#N)ncnc2s1 3451844 MWUFQXDBOVBQFT-UHFFFAOYSA-N 393.497 3.779 30 40 GHEB COc1cc([C@@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)ccc1OCC#N 9378877 NGTXPUYVLYIOEA-SFHVURJKSA-N 394.456 3.678 30 40 GHEB Cc1ccc2nc3c(c(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c2c1)CCCC3 8748898 JKGSASLZORDQID-HSZRJFAPSA-N 393.487 3.633 30 40 GHEB CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 36619673 BVHDDKQTGDJQSS-GOSISDBHSA-N 396.399 3.592 30 40 GHEB COc1cc(/C=N/Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O 5751357 FGLVVROUBOVBPG-DJKKODMXSA-N 393.237 3.676 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 13003380 ZAZKSVPGZDKBSD-SFHVURJKSA-N 394.383 3.676 30 40 GHEB Cc1ccccc1C(=O)/N=C1\NN(c2ccccc2)C(=O)\C1=C1\CCCCCN1 100728192 SCZHUFWDZROGNZ-VXPUYCOJSA-N 388.471 3.503 30 40 GHEB CCCCc1ccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4738602 ULGAKSKSLBRWPR-WQZUMXOESA-N 393.443 3.639 30 40 GHEB CCOC(=O)/C(=C\Nc1ccc(OCC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 102921716 AODGXJUXHJXJOW-AQTBWJFISA-N 384.388 3.735 30 40 GHEB N#C/C(=N\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 4175445 RKGKATVOVHTSIC-HYARGMPZSA-N 393.384 3.787 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 5045154 SZBWMLCHSOKLSC-HXUWFJFHSA-N 395.455 3.537 30 40 GHEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1O)c1c(O)n[nH]c1N2 18196971 LGZNPSPXOMMPHM-MGPLVRAMSA-N 379.441 3.841 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](c2cccc(F)c2)C1 560676391 RKBOAWDQWSSKJR-IEBWSBKVSA-N 395.478 3.959 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2ccc(OC)c(OC)c2OC)c1 225527187 RXHDDOOQXLXDBF-UHFFFAOYSA-N 388.489 3.764 30 40 GHEB O=C1/C(=N\Nc2nc3ccccc3s2)c2cccc(F)c2N1C1CSC1 223758355 VQCHGGXRLSHLGL-QNGOZBTKSA-N 384.461 3.714 30 40 GHEB COc1cc2c(cc1OC)C(=O)/C(=C\c1c(C)nn(-c3ccccn3)c1C)C2 95477442 UINLWNMHEDDCPF-YBEGLDIGSA-N 375.428 3.724 30 40 GHEB Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccccc3F)nc2C#N)CC1 12418326 XREADFZFRSSQPV-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](CC)C(=O)N2C2CCCCC2)cc1 4538101 SCFAZNORVIOIFU-NRTINQSCSA-N 394.562 3.980 30 40 GHEB COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2o/c1=N\OC(C)=O 20849217 WGDZYCSDDKQNQG-QOCHGBHMSA-N 386.791 3.726 30 40 GHEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC 2063672 PISCSNQXFPKQFI-FQEVSTJZSA-N 385.460 3.625 30 40 GHEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OC)c(O)c2)C1=O 2813043 DQCQALLKQNITRO-LFIBNONCSA-N 383.425 3.554 30 40 GHEB O=S(=O)(/N=C(\O)CSc1ccc2c(c1)OCCO2)c1ccccc1Cl 48578140 WTCHQNJOTXYTRU-UHFFFAOYSA-N 399.877 3.549 30 40 GHEB O=[N+]([O-])c1cc(/C=N/c2ccc3nc(C(F)(F)F)[nH]c3c2)c(O)c([N+](=O)[O-])c1 4354403 LACMYWFJISGNET-KPSZGOFPSA-N 395.253 3.854 30 40 GHEB O=C1CCCC2=C1[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)c3ccccc3C1=N2 96307125 QRCWIPYHIWGVDI-AZUAARDMSA-N 388.379 3.707 30 40 GHEB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 19227872 WWOWOADVUMWKES-HXUWFJFHSA-N 399.487 3.956 30 40 GHEB COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)O 409019131 YEKHNNIIKOTKGZ-XTTRTJGBSA-N 378.768 3.859 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC[C@H]([C@H](O)c3ccc4c(c3)OCO4)C2)cc1 72324264 BKLWYGGCUCZDJS-PGRDOPGGSA-N 395.455 3.566 30 40 GHEB COc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1Br 252429468 RVWKGDGMFLTYJH-UHFFFAOYSA-N 389.278 3.887 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nccs1 85409845 YKQQLOYQXCHMOU-OAHLLOKOSA-N 382.397 3.528 30 40 GHEB O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1Cc1ccccc1 4904096 ILDPXWPXAGJTOY-HPCQOMFASA-N 388.290 3.915 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)o1 102804193 YLGBOTGUOPECIC-WOOAAIBNSA-N 392.386 3.744 30 40 GHEB CCCNC(=O)c1nn(CC)cc1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2797822 PTKVSRPFHCSAMM-WSDLNYQXSA-N 395.419 3.962 30 40 GHEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccc3)C2)c1 5437528 FRIVSSZBZARQLL-GHTZIAJQSA-N 395.462 3.646 30 40 GHEB biogenic,in-vitro Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 5446193 CPXPZUBMBCXFDN-AZUAARDMSA-N 395.430 3.891 30 40 GHEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 6870421 KDLXNFHEIVBNPL-WQRHYEAKSA-N 384.457 3.994 30 40 GHEB C=C(C)CSc1nnc(SCC(=O)NCCc2ccccc2C)s1 8521292 FIRURVNHDJERHA-UHFFFAOYSA-N 379.576 3.966 30 40 GHEB C/C(=N\O)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215091 JSXDQSHKRYGMCJ-AMPMGBPNSA-N 380.444 3.658 30 40 GHEB C(=N\N1CCN(/N=C/c2ccc3ccccc3n2)CC1)\c1ccc2ccccc2n1 17919736 FNCIOFSXJWDRQN-WTHRLWDASA-N 394.482 3.769 30 40 GHEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2\CCCCc3ccccc32)nc1 21711928 MVBXFPFHCRQWDX-ZBJSNUHESA-N 386.521 3.655 30 40 GHEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21721937 HCGQPVASDPWWBD-JOCHJYFZSA-N 379.460 3.786 30 40 GHEB COc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608184 PLZIEWGKTRXULA-PSLIRLAXSA-N 378.354 3.574 30 40 GHEB N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(C(F)(F)F)cn1 41556431 MOYUWYNJGZHPPC-NSHDSACASA-N 377.347 3.635 30 40 GHEB C=C(C)Cn1c(SCCCCCCCCC)nc2c1c(=O)n(C)c(=O)n2C 97950366 BCDKNSSOFZUJKS-UHFFFAOYSA-N 392.569 3.853 30 40 GHEB C=CC/N=C1/S[C@H](c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1 102934005 JXKBSMIIYDEHQT-NHKNDPDJSA-N 386.498 3.542 30 40 GHEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(O)cc2O)cc1 104099755 HLADQEOENUBOJX-FYJGNVAPSA-N 382.441 3.958 30 40 GHEB Cc1cc(C)c(NC(=O)CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)c(Cl)c1 104744513 GXTZKTMNSOMSFY-CAOOACKPSA-N 394.924 3.927 30 40 GHEB CC[C@]1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1 2271835 MWMVFQSTOAPPDI-LJQANCHMSA-N 385.514 3.988 30 40 GHEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2308314 DTVLYKIWEUSYLA-QGZVFWFLSA-N 379.508 3.658 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 4472966 USORJRHLNNXVIC-VGLIXDPASA-N 375.400 3.555 30 40 GHEB COc1ccc(Br)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 4577526 HGWPEQZFIWMVMM-DJKKODMXSA-N 397.236 3.723 30 40 GHEB Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3C)[nH]c(=O)c2C#N)cc1 5238301 WCYIYNHIVOKNCL-UHFFFAOYSA-N 390.468 3.656 30 40 GHEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 5825963 FNRNSKVVSJTLMN-OCKHKDLRSA-N 384.384 3.644 30 40 GHEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2F)cc1 6820302 PZTLRDVVLAAMAS-XJKSGUPXSA-N 383.394 3.978 30 40 GHEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3cc(C)n(CC(C)C)c3C)C2=O)cc1 8407929 KSKZTULKYOACNF-HPARJBSBSA-N 396.491 3.571 30 40 GHEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc2c(c1)CCC2 8493064 WOFVGNWDFDLRBY-SSDVNMTOSA-N 380.473 3.899 30 40 GHEB N#Cc1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)COCC(=O)O 17078638 KSCBUDYXHFVVAN-UHFFFAOYSA-N 385.228 3.633 30 40 GHEB CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 82074622 KLEGWZSOQSZBCO-RCTKEMKKSA-N 388.504 3.993 30 40 GHEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\NCc2cccs2)C1=O 100479074 PFOGHRAUQGRTLI-QINSGFPZSA-N 386.498 3.882 30 40 GHEB CSCc1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1 102595948 VLVCQRMBLHDTDV-OQLLNIDSSA-N 375.519 3.905 30 40 GHEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O 113480367 SPCSOILWWBNALP-OAHLLOKOSA-N 384.848 3.654 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1)[C@@H]1C[C@@H]31 409043588 RTDPIEJOMXZKMY-INVHGNKMSA-N 398.462 3.653 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1O 409407701 VJQFWRMHPYKGDY-UHFFFAOYSA-N 386.367 3.560 30 40 GHEB C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1C 524734487 JZDBSQYSFAXNNS-HXUWFJFHSA-N 397.519 3.830 30 40 GHEB COc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1ccco1 4487782 WLZWJWCDTBRZFC-UHFFFAOYSA-N 379.347 3.804 30 40 GHEB Oc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1Br 5450664 JZYAENXXOMFXTL-RQZCQDPDSA-N 375.251 3.958 30 40 GHEB CCOc1ncccc1C(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C 11163528 GNQGBROIJLJFIH-UHFFFAOYSA-N 384.505 3.825 30 40 GHEB Cc1nc(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)[nH]c1Cc1ccc(O)cc1 12372025 ZOKCEBZGPRYTCH-UHFFFAOYSA-N 395.488 3.562 30 40 GHEB N#Cc1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 12768436 HKFIZIZZJMEYKL-UHFFFAOYSA-N 380.419 3.563 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)c3ccc(OC(F)F)cc3)c3n2CCC3)cc1 16996433 XSOUQASKGIISBD-UHFFFAOYSA-N 399.417 3.882 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 19203680 WVIDZHCBPBZVDK-SFHVURJKSA-N 384.432 3.762 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2c(C)cccc2CC)s1 32891734 SGHOXDWBGZBXHH-UHFFFAOYSA-N 380.495 3.722 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1 813843 RVFDLRIDICEBRG-UHFFFAOYSA-N 394.500 3.794 30 40 GHEB COCc1cc(C)nc(SCC(=O)Nc2sc(C)c(C)c2C#N)c1C#N 6961391 HSIHRENDZHYBRO-UHFFFAOYSA-N 386.502 3.689 30 40 GHEB CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(Br)cc1)O2 102714599 PJDMWSIYHHJOAQ-XWGGXCHLSA-N 399.248 3.814 30 40 GHEB C#CCOc1ccc(C[C@@H]2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 8117194 LOULRKPPFPDDGP-IBGZPJMESA-N 397.521 3.679 30 40 GHEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 11052191 PGSNLPWQXDOPNY-CYBMUJFWSA-N 398.488 3.588 30 40 GHEB C[C@@H](C#N)Sc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 3447681 FKPZQBBDPUCXLY-JTQLQIEISA-N 390.262 3.804 30 40 GHEB CCSc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1 5241187 CQIFRKBRWCOAOU-UHFFFAOYSA-N 385.514 3.889 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907250 OENDORPVHPVQLN-UHFFFAOYSA-N 397.525 3.740 30 40 GHEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(Br)cc1F 7172105 DPSYXIVSFKZLMP-SECBINFHSA-N 399.289 3.793 30 40 GHEB C[C@@H](OC(=O)c1ccc(F)cc1Br)C(=O)Nc1cccc(C#N)c1 7722058 KJUHBHUCGNAOGG-SNVBAGLBSA-N 391.196 3.644 30 40 GHEB COc1cc(OC)c(C=Nn2c(C3CCCCC3)n[nH]c2=S)c(OC)c1 254752455 VAOGFLGTOVUTKC-UHFFFAOYSA-N 376.482 3.896 30 40 GHEB FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)I 95682065 HWWASZGFIYQTSO-UHFFFAOYSA-N 377.928 3.710 30 40 GHEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C(/C)c2csc3ccccc23)cc1 4683707 DVTTXSWBNRYRCX-NDENLUEZSA-N 387.486 3.562 30 40 GHEB COc1ccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c(OC)c1 20572933 RUGHDLCQBGNZNR-JAIQZWGSSA-N 395.455 3.930 30 40 GHEB COc1c2c(c(C(=O)/C=C/c3ccccc3Cl)c3c1OCO3)CCN(C)C2 20112593 ARMPHBNWISJBHT-BQYQJAHWSA-N 385.847 3.961 30 40 GHEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)no1 102804366 NWMIPYCTUWVQON-GHNGSUTGSA-N 396.349 3.888 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccncc2)o1 796036 FTXHVTXTNNAMHO-FQEVSTJZSA-N 388.423 3.804 30 40 GHEB CC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 5425730 RHFDCIWANSMLQA-UHFFFAOYSA-N 386.249 3.813 30 40 GHEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N2 9569616 UUHVCLJQTUFDBB-MRXNPFEDSA-N 397.500 3.751 30 40 GHEB COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 10039396 YZOZMIFRLMLHLS-NSHDSACASA-N 385.514 3.880 30 40 GHEB N#Cc1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)n[nH]c1N 12547951 XJACGJXEJJZYDL-UHFFFAOYSA-N 387.487 3.602 30 40 GHEB C=CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)c1nc(-c2ccccc2)cs1 16469445 ZLXAFVPOJHERKG-UHFFFAOYSA-N 394.500 3.662 30 40 GHEB O=C1N/C(=N\N=C\c2cccs2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 18209031 AOVCQZBXLKWORT-PCQWDSEFSA-N 383.420 3.931 30 40 GHEB N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccc(O)cc1 20029207 YIKRLMMDPINYAR-UHFFFAOYSA-N 386.436 3.755 30 40 GHEB COCCCCN1C(=O)[C@@H](Oc2cc(C)cc(C)c2)[C@H]1c1ccc(C#N)cc1 58085108 QFPNHNQVGJWZAO-YADHBBJMSA-N 378.472 3.933 30 40 GHEB N#Cc1ccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c([N+](=O)[O-])c1 100084137 PWOLCELAAVSXLD-IRXDYDNUSA-N 391.383 3.938 30 40 GHEB CCn1cc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)NC2=O)c(C)n1 102223840 CMUXDONAGCQZSA-GBPVMSNXSA-N 385.537 3.974 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 102930111 OQJYIELGEIWNHX-NHFXJNLRSA-N 389.407 3.916 30 40 GHEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1O 408931166 HXWFSHMQHOOHLR-UDWIEESQSA-N 391.265 3.751 30 40 GHEB Cc1cc2c(cc1C=Nn1c(-c3ccccc3)nc3ccccc3c1=O)OCO2 409406513 QYIZZMFRSHPBJQ-UHFFFAOYSA-N 383.407 3.983 30 40 GHEB CNC(=O)c1ccc(NCc2ccc(Br)cc2C#N)cc1Cl 564199712 OKOQGEVTWDZZGA-UHFFFAOYSA-N 378.657 3.946 30 40 GHEB COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1918425 FLKIXKGPVYTPAX-GZIVZEMBSA-N 391.214 3.695 30 40 GHEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc([N+](=O)[O-])cc1 3206288 JFLJJMAMOJTNFX-QGZVFWFLSA-N 385.445 3.614 30 40 GHEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(F)cc1 4736234 SBKVCRYWPLCZNX-UHFFFAOYSA-N 393.447 3.799 30 40 GHEB CO/N=C/[C@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1 5209485 JINIHYZPNZXVIJ-FCQRQVBFSA-N 392.786 3.901 30 40 GHEB C=CCc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc(OC)c1OC 11916902 WQWHUQXCNFJSLL-UHFFFAOYSA-N 380.444 3.811 30 40 GHEB CC1(C)OB(c2cc(C(F)(F)F)cnc2OCc2ccccc2)OC1(C)C 206189769 ZRPLDLBAUAEHEV-UHFFFAOYSA-N 379.187 3.979 30 40 GHEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 408755003 XRENLSHBDKEISO-GZTJUZNOSA-N 382.445 3.861 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F)c1cccs1 4312369 QLDQRHKFNVONEK-YVEFUNNKSA-N 387.432 3.645 30 40 GHEB N#Cc1c(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c1CCC2 2797871 WBCDVCYYUWFBAD-UHFFFAOYSA-N 382.420 3.733 30 40 GHEB COc1ccc(CCC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 12760731 FTKXDOHIVWCPFT-UHFFFAOYSA-N 377.488 3.850 30 40 GHEB C=CCN1C(=O)[C@H](Cc2cccc([N+](=O)[O-])c2)S/C1=N/N=C/c1ccccc1 4159516 BKZFMBMQUXIXOJ-FOWJPOPOSA-N 394.456 3.657 30 40 GHEB Cc1cc(-c2ccc(/C=N/N3C(=O)CSC3=S)o2)c([N+](=O)[O-])cc1C 409329149 DBAACKYYJOGBDY-REZTVBANSA-N 375.431 3.666 30 40 GHEB COc1cc(/C=N/Nc2ccc(Cl)cc2)c(Br)cc1OCCO 6490529 LSAMDEILOQAFNV-VXLYETTFSA-N 399.672 3.928 30 40 GHEB CC1(C)CC(=O)C(=CN=c2cc(-c3ccc(Br)cc3)[nH][nH]2)C(=O)C1 408920701 KPLYFQKRROEQPK-UHFFFAOYSA-N 388.265 3.515 30 40 GHEB CN(C)c1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408854942 BLCWXSCZCLXLEO-UNOMPAQXSA-N 378.270 3.695 30 40 GHEB CCc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1 6559252 XDRPNHHUHYVLCL-UHFFFAOYSA-N 387.534 3.889 30 40 GHEB Cc1cncc(CN2CCC[C@H](c3csc(=Nc4ccc(C#N)nc4)[nH]3)C2)c1 585295118 MHVVVXQOIGMHMB-KRWDZBQOSA-N 390.516 3.658 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)c1 13569368 WZHFWVSXYGJGNI-QGZVFWFLSA-N 396.424 3.836 30 40 GHEB C=CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 19461877 AVBMCJAIRYGYFY-HXUWFJFHSA-N 387.435 3.993 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(OC)ccc21 100874975 PMWCDZYQMGOAPD-MRCUWXFGSA-N 384.457 3.656 30 40 GHEB Cc1cc(C)c2nc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)sc2c1 2086868825 PTPKSGLKZDCKRD-IRXDYDNUSA-N 375.501 3.752 30 40 GHEB CCC(=O)N1CCc2cc(C(=O)NCCSCc3ccccc3C#N)ccc21 40143641 ICWVSYHXSKOKFW-UHFFFAOYSA-N 393.512 3.521 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 102866033 NQZKGAMXIWPMSG-WOOAAIBNSA-N 383.419 3.592 30 40 GHEB Cc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)C[C@H](C)CC4)C2=O)cc1 103128813 PRNNTINGHVBPPU-KUHUBIRLSA-N 391.496 3.811 30 40 GHEB C=CCc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c(O)c(OC)c1 22790142 GGAMABSUEMKENI-YRNVUSSQSA-N 378.516 3.960 30 40 GHEB CCOc1cc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O 1436605 FXHPNNLTOFUIDQ-HYARGMPZSA-N 397.456 3.737 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(C)cc1 3427138 ZLNOOWMQZXYMIJ-UHFFFAOYSA-N 394.500 3.646 30 40 GHEB CCOC(=O)c1sc(N/N=C(/C)CC(=O)C(F)(F)F)nc1C(F)(F)F 4092869 YKSBNIYXMFSFCH-SDPNRITHSA-N 391.293 3.648 30 40 GHEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O 4385949 FPTZNRGBFNSUPZ-SFHVURJKSA-N 375.472 3.926 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 4694814 QRVGUBKWWROZPL-LDADJPATSA-N 393.420 3.633 30 40 GHEB Cc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(Cc2ccco2)c1C 7580169 BKRKQMKCRFJMMI-UHFFFAOYSA-N 382.489 3.750 30 40 GHEB N#Cc1ccsc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 8252959 FQJPCAWLGNOHPN-UHFFFAOYSA-N 391.452 3.567 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 8489767 IKQVQHXAVJVFSY-CYBMUJFWSA-N 383.452 3.785 30 40 GHEB COc1cc(/C=N\Nc2cnnc(O)c2Cl)ccc1OCCc1ccccc1 31858855 QEESSHOYBXPHNB-UUYOSTAYSA-N 398.850 3.912 30 40 GHEB COc1cc(NC(=O)[C@H](C#N)Cc2cn(C)c3ccccc23)cc(OC)c1OC 49544282 XAPMQNQOEVCMLT-AWEZNQCLSA-N 393.443 3.525 30 40 GHEB C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C1CC1 95459340 SXKMPPHOMWWAKA-UHFFFAOYSA-N 396.940 3.695 30 40 GHEB COc1ccc(-c2nnc(S)n2N=Cc2ccc(Br)s2)cc1 245241839 QTLZFYIJFBZTOW-UHFFFAOYSA-N 395.307 3.949 30 40 GHEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408818908 YTPRANXYTHUWQG-HMMYKYKNSA-N 396.402 3.518 30 40 GHEB CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H](C(C)=O)[C@@H]3C2=CO1 1614975697 GAIVGINVGXHEIA-QFLQXZFZSA-N 382.456 3.979 30 40 GHEB biogenic C=CCN1C(=O)[C@@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@]1(C)Oc1ccccc12 4275552 IBEMTEADOXCYPF-NOXFTYBFSA-N 376.456 3.860 30 40 GHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)C(Cl)(Cl)Cl)c2C#N)C1 6824560 SXKZZWIJOKLWPJ-LURJTMIESA-N 396.752 3.928 30 40 GHEB N#Cc1nc2c(-c3nc4ccccc4s3)c(N)n(Cc3ccco3)c2nc1C#N 1744398 YWDFXOJQSUOAQZ-UHFFFAOYSA-N 397.423 3.675 30 40 GHEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccc(C)cc2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632492 ITYCOBHEGFQMOE-XQFWAAQXSA-N 376.456 3.860 30 40 GHEB CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1 96336088 ZEJWPVJSUWIQSI-MRXNPFEDSA-N 396.424 3.918 30 40 GHEB Cc1ccc(N2C(=O)[C@](O)(C(F)(F)F)C/C2=C\C(=O)c2ccccc2)cc1 5572833 MQWFOLUHJIVDGZ-SKTWIKFTSA-N 375.346 3.792 30 40 GHEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(C)cc3C)C(=O)NC2=S)cc1 4739283 SWCSLAOXVLHGDZ-QQZPLFJDSA-N 379.485 3.632 30 40 GHEB Cc1cc(/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)ccc1F 408850706 CSOIADKAXKTPSH-CFRMEGHHSA-N 379.435 3.698 30 40 GHEB COCc1cc(C)nc(NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)c1C#N 252427229 XTULYHMAZGIYLE-UHFFFAOYSA-N 390.399 3.812 30 40 GHEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1 5382844 XATXMAAGHQLMIN-UHFFFAOYSA-N 380.473 3.774 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C2\C(=O)c3ccccc3-c3ccccc32)cc1 17126324 BBFDLPXZCQRKEY-XDOYNYLZSA-N 376.437 3.541 30 40 GHEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2 9012358 FVKPJXSONXCYPI-YUNKPMOVSA-N 376.391 3.539 30 40 GHEB C[C@H]1CN(Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 30001620 YMYDZTARLNRQFV-IYBDPMFKSA-N 380.448 3.688 30 40 GHEB N#Cc1ccsc1NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 20533981 QJXSIHWTQYOUOE-UHFFFAOYSA-N 390.512 3.529 30 40 GHEB N#Cc1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)cc1 32442003 DKBYRYKOEJAXHG-UHFFFAOYSA-N 392.480 3.754 30 40 GHEB C[C@@H](NC(=O)CSc1nc2ccccc2n1CCC#N)[C@H]1C[C@H]2CC[C@H]1C2 104007781 CUOGOHMWFJWFDC-LTIDMASMSA-N 382.533 3.983 30 40 GHEB COc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1OCC#N 2772492 UTQTYDVMJOYNJJ-UHFFFAOYSA-N 398.212 3.823 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cccc(OC)c21 100909667 OYHVJPUQNULOQE-MRCUWXFGSA-N 384.457 3.656 30 40 GHEB CCCN/C(CCC)=C1/C(=O)C[C@H](C[C@@H](C)SCC)[C@@H](C(=O)OCC)C1=O 103217356 SDEDOURAMKIHON-XSFZGJOWSA-N 397.581 3.909 30 40 GHEB CC[C@H](NC(=O)Cn1cc(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 64987003 MDCUKALUJOKJCM-IBGZPJMESA-N 389.455 3.942 30 40 GHEB Cc1ccc(C[C@@H](C#N)Sc2nnc([C@H]3COc4ccccc4O3)n2C)cc1 6589285 IRBADADCQQYSON-QFBILLFUSA-N 392.484 3.863 30 40 GHEB CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 16996175 XKMWYKJGSDCILU-UHFFFAOYSA-O 380.443 3.565 30 40 GHEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635445 QOJJSMKVTRPEGK-SFHVURJKSA-N 389.503 3.922 30 40 GHEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224790504 VRAQPIBWNNROAF-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB CC(=O)Nc1c(/C=N/Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4265767 DUIOSZKRZJESHQ-ZMOGYAJESA-N 383.407 3.866 30 40 GHEB COc1ccc(/C(C)=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1OC 4596705 UZDUSDSSBLTDRK-FSJBWODESA-N 376.420 3.668 30 40 GHEB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 8844189 ATXMUJIWMLLOCO-AWEZNQCLSA-N 390.468 3.736 30 40 GHEB C(#CCN1CCOCC1)COCCCOC(c1ccccc1)c1ccccc1 20029007 AJOOPELYOIBZIH-UHFFFAOYSA-N 379.500 3.535 30 40 GHEB N#Cc1cc([N+](=O)[O-])cnc1N1CCc2[nH]c3ccc(Br)cc3c2C1 32829870 VHLMFUYLNRUHMV-UHFFFAOYSA-N 398.220 3.668 30 40 GHEB O=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(F)c(Cl)c1 1567284 OUHFEYMJVKSRGJ-UHFFFAOYSA-N 384.610 3.960 30 40 GHEB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)CC1 6385880 PHARRJQOYIVMMD-UHFFFAOYSA-N 387.436 3.801 30 40 GHEB CC(C)c1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 2328301 BXTSGFVFSCKPHM-INIZCTEOSA-N 384.439 3.641 30 40 GHEB C=CCOc1ccc(/C=C2\CCn3c2nc2sc(C(=O)O)c(C)c2c3=O)cc1 14093525 YGDWTYHNABDBHZ-SDNWHVSQSA-N 394.452 3.974 30 40 GHEB COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccco2)C1=O 4699827 YWGILUOPFOPGAG-GUVYHVJLSA-N 394.811 3.892 30 40 GHEB C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1C 6624107 UMJHCYWUELGMMJ-UHFFFAOYSA-N 392.455 3.619 30 40 GHEB biogenic Cc1cc(-c2n[nH]c(=S)n2/N=C/C(Br)=C/c2ccccc2)n[nH]1 5625901 CAKDRPOEJDZTHD-BXOFLPTQSA-N 389.282 3.909 30 40 GHEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)no1 5800495 ARHCITKVWVTSBY-MRXNPFEDSA-N 384.388 3.967 30 40 GHEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCCOC)C1=O 409221245 NHBMSOGPKDDYOQ-XMHGGMMESA-N 381.453 3.925 30 40 GHEB C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccncc1 7087106 DZZYCQNDVGBETA-SFHVURJKSA-N 391.500 3.638 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)cc1 23438428 XHCNXSCVXGKXSU-UHFFFAOYSA-N 379.847 3.916 30 40 GHEB N#Cc1cccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c1 24983634 LXBCLPDRJAQMFO-KRWDZBQOSA-N 377.425 3.969 30 40 GHEB CC1(C)CC(NC(=O)c2ccccc2)CC(C)(C)N1OC(=O)c1ccncc1 1440464 OQQJQAZZNNPYFK-UHFFFAOYSA-N 381.476 3.605 30 40 GHEB C=CCn1c(-c2ccncc2)nn(CC(=O)Nc2ccc(OCC)cc2)c1=S 8324211 JGIZNVHTNGKREL-UHFFFAOYSA-N 395.488 3.699 30 40 GHEB Cc1c(C#N)c(NC(=O)COc2ccccc2C#N)n(Cc2ccccc2)c1C 12738869 HNQGOZBZERSFAX-UHFFFAOYSA-N 384.439 3.914 30 40 GHEB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C 12801802 VQMOYDDWBKHRPH-UHFFFAOYSA-N 398.879 3.535 30 40 GHEB C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1C1CCCCC1 6082954 XCVZQYVFGCBLHY-UHFFFAOYSA-N 396.516 3.900 30 40 GHEB O=C1/C(=C/c2ccc(Cl)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 13777233 ICYDGZLUSIHHDY-WQRHYEAKSA-N 385.803 3.787 30 40 GHEB COc1cc(/C=N/NC(=S)Nc2cccnc2)ccc1OCc1ccccc1 6320055 FCPHRRJJKQTDEO-YDZHTSKRSA-N 392.484 3.990 30 40 GHEB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)NC1(C#N)CCCCC1 7161910 NPSUWFNIZXPWBY-GFCCVEGCSA-N 391.522 3.566 30 40 GHEB C=CCN(C(=O)Cc1cc(C(C)=O)ccc1OC)c1nc2c(s1)CCCC2 8231998 BQMREWKSWXESLS-UHFFFAOYSA-N 384.501 3.995 30 40 GHEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1OC 18196799 UUSZZOOQERWZQL-OAQYLSRUSA-N 379.412 3.997 30 40 GHEB Oc1nncc(N/N=C\c2cccc(OCc3ccccc3)c2)c1Br 31833885 QZUGXQRGLFAOHZ-JMIUGGIZSA-N 399.248 3.970 30 40 GHEB O=C1N/C(=N/C2CCCC2)S/C1=C\c1cc([N+](=O)[O-])ccc1OC(F)F 64925645 PCGBGAHNYLWJIU-JYRVWZFOSA-N 383.376 3.699 30 40 GHEB COc1ccc(-n2ccnc2SCCC(=O)Nc2sccc2C#N)cc1 40024921 WNACWNBLDHZZDF-UHFFFAOYSA-N 384.486 3.935 30 40 GHEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCCC3)ccc1OCC(N)=O 102229286 ACAXVTXDFVQTDY-WYMPLXKRSA-N 397.500 3.902 30 40 GHEB COc1cc(SC)ccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3235663 TXDPBSHPNFCBTE-UHFFFAOYSA-N 384.457 3.521 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@@H](C(=O)OCC)C4)[C@H]3C[C@@H]12 4082809 WPQMZZXIPRONLR-KQKBASFTSA-N 389.536 3.576 30 40 GHEB biogenic COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 5094094 YJRNOFNIEGYKTK-AWEZNQCLSA-N 378.457 3.872 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ncccn2)cc1 6813193 WBRPGSSPGFOJPZ-MRXNPFEDSA-N 377.425 3.629 30 40 GHEB COC(=O)c1cccc2c(/C=N/Nc3nnc(Cl)c4ccccc34)c[nH]c12 16945225 ORUBDWHBTOVVIY-LSHDLFTRSA-N 379.807 3.997 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(F)cc2)cc1 16995415 JRXPFABARVPBAL-VFNWGFHPSA-N 390.418 3.842 30 40 GHEB C=CCOc1ccccc1CN1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 19129351 IHIFZMILNNWFKJ-KRWDZBQOSA-N 377.492 3.564 30 40 GHEB Nc1nc(N2CCCCC2)nc2c1[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 20673727 XNPOIYSLSGGTNU-QGZVFWFLSA-N 393.466 3.753 30 40 GHEB C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1cccc(-c2nnnn2C)c1 65453542 QZRNIXVSOTXRHK-ZDUSSCGKSA-N 393.476 3.773 30 40 GHEB C=CCn1c(SCC(=O)c2c[nH]c3ncccc23)nnc1-c1ccccc1 95460188 PBBFWWWJZBMMTH-UHFFFAOYSA-N 375.457 3.982 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1)S(C)(=O)=O 218392482 ONLKMESICROXFV-QGZVFWFLSA-N 386.517 3.746 30 40 GHEB C=CCn1c([C@@H](O)C(C)C)nnc1N1CCC2(C=Cc3ccccc3O2)CC1 1262968221 XFXHLROQCCDZLS-IBGZPJMESA-N 380.492 3.598 30 40 GHEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)OC(=O)C[C@H]32)C1 5217697 RZDJJWQUCPCDTP-CRDHFAFISA-N 388.504 3.992 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 8884440 RCIBQSBPVSTHHR-UHFFFAOYSA-N 397.525 3.740 30 40 GHEB COc1ccc(Nc2nc(NCCN(C)C)c3c(c2C#N)CC(C)(C)OC3)cc1 8992286 JQGUSIUQLKPFAG-UHFFFAOYSA-N 395.507 3.530 30 40 GHEB C=CCn1c(C)cc(-c2csc(NC(=O)C3CCN(C(C)=O)CC3)n2)c1C 10255371 FJCODKTXZAYYJK-UHFFFAOYSA-N 386.521 3.611 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 13124235 PUHUJTMHZPJZIM-FQEVSTJZSA-N 386.407 3.873 30 40 GHEB Cc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959980 ZTUIJVZAXLXEKS-CWTRNNRKSA-N 391.387 3.503 30 40 GHEB COc1ccccc1[C@H]1/C(=C(\O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1 102804402 AIWYMOQGYJUWOU-GHNGSUTGSA-N 394.383 3.519 30 40 GHEB CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc2c(c1)OCCO2 9096215 ATMKOUMWXWQDIX-UHFFFAOYSA-N 378.457 3.900 30 40 GHEB O=C(NC(NNc1ccccc1)(C(F)(F)F)C(F)(F)F)c1cccc(F)c1 2050521 SSJUWYFWZTWZCE-UHFFFAOYSA-N 395.278 3.993 30 40 GHEB O=S(=O)(Oc1ccccc1/C=N/Nc1nc2ccccc2[nH]1)c1ccccc1 59417090 AQYIQJPFLBVJMD-KGENOOAVSA-N 392.440 3.777 30 40 GHEB C=CCn1c(C)cc(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1C 4539980 SMRFLWLVTHGEQD-IBGZPJMESA-N 398.484 3.520 30 40 GHEB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc21 5490725 YXUWRQHQVCRGJB-RBZFPXEDSA-N 396.520 3.534 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 408604725 WLCIBFFVIGCYRM-UHFFFAOYSA-N 389.249 3.964 30 40 GHEB CNC(=O)c1ccc(Cl)cc1NCc1ccc(Br)cc1C#N 584494730 WXOHMPNPXTZVQD-UHFFFAOYSA-N 378.657 3.946 30 40 GHEB C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCC[C@H](C)C2)n1 260710467 HLTMYLVIWVBGFS-INIZCTEOSA-N 388.585 3.566 30 40 GHEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c21 12113523 HXMNLGMIGOPUNJ-CZUORRHYSA-N 398.532 3.602 30 40 GHEB C[C@@H](NC(=O)COC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 3474567 HIPWATMRQVCCFL-LLVKDONJSA-N 377.227 3.899 30 40 GHEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1C 3492979 SYWTYLMUJFDYDE-UHFFFAOYSA-N 387.896 3.895 30 40 GHEB CC/C(=N\OC(=O)CC(=O)O/N=C(\CC)c1ccccc1O)c1ccccc1O 4679347 PZGALUXCVKEGAT-LKNRODPVSA-N 398.415 3.503 30 40 GHEB Cc1nn(Cc2ccccc2)c(C)c1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 5561044 MLAZSPAYKOWUAT-FSJBWODESA-N 396.458 3.814 30 40 GHEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2 9012360 FVKPJXSONXCYPI-FKIZINRSSA-N 376.391 3.539 30 40 GHEB CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 9373759 GKCZFMVGRHSUEB-SFHVURJKSA-N 378.384 3.921 30 40 GHEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCc2ccccc2C1 12659756 QRQMVOJVQOCKSG-SJHWQXQCSA-N 381.516 3.572 30 40 GHEB biogenic CCCCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1CSC(C)(C)C2 13764753 XTLUTDZQEBXZMS-UHFFFAOYSA-N 386.565 3.532 30 40 GHEB C=CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 19461879 AVBMCJAIRYGYFY-FQEVSTJZSA-N 387.435 3.993 30 40 GHEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCCc2ccccc21 25098686 IYUWEZKVYUUNNS-NRFANRHFSA-N 387.487 3.686 30 40 GHEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC#N 35729953 HXTMBEPPZPSGEJ-YVNNLAQVSA-N 394.309 3.971 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2ccccc2c1=O 195530094 VLJKYMNQIYCEPP-OAGGEKHMSA-N 385.533 3.568 30 40 GHEB N#Cc1ccc(N=c2[nH]c([C@@H]3CCCCN3Cc3ccncc3)cs2)cn1 585294811 VEQXCTPPTFMNAY-IBGZPJMESA-N 376.489 3.697 30 40 GHEB COc1cc2c(cc1OC)/C(=C/C(=O)CCc1c[nH]c3ccccc13)NCC2 4090377 SVDVPAVKIFHLPW-MTJSOVHGSA-N 376.456 3.874 30 40 GHEB biogenic CCOc1cc(/C=N/N=c2/[nH]c(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1O 4592236 ORGDYAMIVAIGNT-VXLYETTFSA-N 384.417 3.691 30 40 GHEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3SC)C(=O)NC2=S)cc1 4738580 WEEKQWLXPYORSY-NGZBARDMSA-N 397.525 3.737 30 40 GHEB CCOC(=O)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 9421961 IZGKCKMKJIBZRC-KEBDBYFISA-N 377.396 3.736 30 40 GHEB C#C[C@@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 61894810 FNLAEOVBNXMZCC-HNJVSHQKSA-N 386.532 3.894 30 40 GHEB O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102924808 YZCGKNQJDQLDPI-UYTDBDHRSA-N 380.400 3.909 30 40 GHEB COc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1OC 409052402 DQBROFNQDNNQSY-JVTDZOJGSA-N 398.440 3.636 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1cccs1 1019491 DRTFUKZFEVUWTL-YOEHRIQHSA-N 387.432 3.645 30 40 GHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)Cc3cccs3)c2C#N)C1 4950554 ASELWZKSDVYTMX-JTQLQIEISA-N 375.544 3.862 30 40 GHEB O=S(=O)(c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)N1CCCCCC1 5750252 IXJRHGMGVJTKKT-KGENOOAVSA-N 386.473 3.731 30 40 GHEB COc1cc([C@@H]2C3=C(CCC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 5809251 ORJHTLCGWHLLIX-FQEVSTJZSA-N 396.395 3.582 30 40 GHEB COC(=O)C(C(=O)CSc1nc2ccccc2s1)=C1Nc2ccccc2N1 6016589 QFBHMZPEONUICG-UHFFFAOYSA-N 397.481 3.880 30 40 GHEB C[C@H]1CCc2c(sc(NC(=O)Cn3c(=O)sc4ccccc43)c2C#N)C1 6662019 CLCGPFPCOSZDPV-NSHDSACASA-N 383.498 3.760 30 40 GHEB C[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 6767357 HKABJBZNZXDQNG-INIZCTEOSA-N 398.466 3.860 30 40 GHEB C/C(=N\Nc1ccc(F)cc1)c1ccc(N2CCN(CCC#N)CC2)c(F)c1 15188487 BMSPKMXLTCNRRD-PCLIKHOPSA-N 383.446 3.837 30 40 GHEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 15328894 PTDMWKSGHHSZTM-UHFFFAOYSA-N 390.461 3.597 30 40 GHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cc(F)cc(F)c1 18222044 RQLLVSNAMTWVIM-WJWGPLDTSA-N 384.308 3.843 30 40 GHEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Cl)C3=O)CC1 22575516 YPBFHELLAROKJZ-MOSHPQCFSA-N 398.890 3.799 30 40 GHEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)n1 27061627 HZZXFOTWZHLMKQ-FQEVSTJZSA-N 386.407 3.879 30 40 GHEB COc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC 38199398 MSHXNKLHDOSKDU-UKWGHVSLSA-N 383.231 4.000 30 40 GHEB CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1cccc(C(=O)O)c1 100936755 AXDFRKLZPUHKAN-KQHCDTJNSA-N 398.440 3.723 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 214452363 ZMDULGIHKRDFLO-QGOAFFKASA-N 394.452 3.926 30 40 GHEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2ccccc2c1 225058848 YXUOKVALBJUNRV-UHFFFAOYSA-N 381.453 3.992 30 40 GHEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)COC)cc1 225660487 GEVNDJDNWWVQHI-ZCNNSNEGSA-N 389.904 3.998 30 40 GHEB Cc1ccc(N2C(=O)[C@H](/C=N\c3cccc(Cl)c3C)C(=O)NC2=S)cc1 408760124 RZEMGBZNRQGSQD-YYLUKMIBSA-N 385.876 3.723 30 40 GHEB CCOc1ccc(N2C(=O)C[C@H](Sc3nc(C(C)C)ccc3C#N)C2=O)cc1 778145 GVPGEJKRLKJEOE-SFHVURJKSA-N 395.484 3.900 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccncc1 1225116 YVPOMLOLODHBLX-OAHLLOKOSA-N 379.489 3.954 30 40 GHEB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/N1CCN(C)CC1 6673207 DAXHLMSQWDWKBL-LFVJCYFKSA-N 393.466 3.693 30 40 GHEB O=C1/C(=C\c2cccnc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 8993343 NUVCYFJDXWQRTD-CPNJWEJPSA-N 376.437 3.510 30 40 GHEB C=CCOc1ccc(/C=C/C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1OC 12887318 NYJSUCRLCOMXSB-KONDSOJQSA-N 392.499 3.789 30 40 GHEB N#Cc1ccc(CN2CCN(Cc3csc(Cc4ccccc4)n3)CC2)cc1 36394314 YBFCYMCYBCMJEA-UHFFFAOYSA-N 388.540 3.923 30 40 GHEB C[C@@H]1CCC[C@@H](C)N1C1=NC2(CCN(Cc3ccccc3)CC2)[C@@H](C#N)C(O)=N1 40180584 MVYZYFSMRHOJSP-GGPKGHCWSA-N 393.535 3.750 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 66088880 YTRYLKAOSBNSEM-HXUWFJFHSA-N 395.455 3.700 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc21 100319809 XJEYIBOJDACAPL-SSLVEBHQSA-N 385.467 3.523 30 40 GHEB CCCCCCCCOCn1c(=N)n(CCN2CCOCC2)c2ccccc21 100518507 PPDGHAIEAAQWSJ-UHFFFAOYSA-N 388.556 3.589 30 40 GHEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1 224704825 XTNZYTITSFHNQG-UHFFFAOYSA-N 379.865 3.898 30 40 GHEB C/N=C1/S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(=O)N1C 408930530 YEVZZYYVANZPPS-QLHXNQQISA-N 395.484 3.544 30 40 GHEB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(F)cc3C#N)cc2)n1 20611450 BKQGEJZOEMANPY-UHFFFAOYSA-N 381.436 3.922 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 9194748 AQHDKOAUBXVHLR-LLVKDONJSA-N 378.519 3.567 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccco1)c1ccc(Cl)cc1 4170174 ZXLAEFLFTGZFIN-PBHICJAKSA-N 387.819 3.690 30 40 GHEB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC2 5352756 YSLFRXWRSOCJBP-ZDUSSCGKSA-N 399.878 3.787 30 40 GHEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409132841 RQJONGCHTXGGGM-MHWRWJLKSA-N 385.851 3.835 30 40 GHEB CCN(CC)c1ccc(N=C2C=C(C(=O)NC)C(=O)c3ccccc32)c(C)c1 253533022 ICEZCGKMKDYPQG-UHFFFAOYSA-N 375.472 3.831 30 40 GHEB COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 1436656 SFZMBCNQVCCUET-IBGZPJMESA-N 392.430 3.780 30 40 GHEB C=CCn1cnnc1SCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 32328531 QCYIWMSCISMEIE-UHFFFAOYSA-N 385.514 3.898 30 40 GHEB Cc1cccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Br)c1 4749819 JOWCAIHRJCENNE-RGVLZGJSSA-N 383.249 3.749 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 8959609 LDERQDYBYYLGFN-UHFFFAOYSA-N 394.427 3.605 30 40 GHEB C#CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1 13994511 GJQXRMYVWXFELL-NRFANRHFSA-N 379.456 3.609 30 40 GHEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 17246309 TYSKUYNPEINJSL-FQEVSTJZSA-N 395.455 3.699 30 40 GHEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c1 20624793 UGRDMDQPZBTSFM-NDENLUEZSA-N 381.428 3.621 30 40 GHEB COc1ccc(-c2nnc(Sc3ccc(C#N)cn3)n2C[C@H]2CCCO2)cc1 24992746 IBNPNPLTLXMHHG-QGZVFWFLSA-N 393.472 3.551 30 40 GHEB Oc1cccc(/C=N\Nc2nnc(N/N=C\c3cccc(O)c3)c3ccccc23)c1 31670013 GWXOMCKJFPEHFY-GACBQCINSA-N 398.426 3.933 30 40 GHEB C=C(Cl)C[S@@](=O)Cc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 32801312 CQHHLTASQQHPAO-DEOSSOPVSA-N 378.906 3.961 30 40 GHEB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(C#N)cc2)CC(=O)N3)c1 49545082 KVAUELZZRUGRFN-KRWDZBQOSA-N 387.395 3.530 30 40 GHEB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ncc(C#N)cc1Cl 72289223 PMRLKUVELGWEKT-FZMZJTMJSA-N 380.876 3.779 30 40 GHEB Cc1ccc(S(=O)(=O)N=C(c2ccccc2)N(C)c2ccc(O)cc2)cc1 1889298585 WLLSVBFZRLQFOD-UHFFFAOYSA-N 380.469 3.973 30 40 GHEB Cc1ccc(S(=O)(=O)NN=C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 4907243 JSTCQFKNPNBLIP-UHFFFAOYSA-N 393.424 3.615 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 5100676 OJOWTKCUVJNKOQ-BOPFTXTBSA-N 399.903 3.560 30 40 GHEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 5868797 KUMPHRVKEMJHFJ-OAHLLOKOSA-N 382.489 3.622 30 40 GHEB N#Cc1ccc(NC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 7023881 USOIJJUVDUHPNC-UHFFFAOYSA-N 386.436 3.635 30 40 GHEB CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 9014543 HJJBJAIOOMSONK-LJQANCHMSA-N 381.428 3.779 30 40 GHEB CC(C)Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCC2 13144315 APIUJQLXJPJERX-UHFFFAOYSA-N 388.515 3.603 30 40 GHEB C=CCn1c(CC(=O)Nc2nccs2)nnc1SCc1ccccc1F 13955999 APAMSBPOOHIDCZ-UHFFFAOYSA-N 389.481 3.533 30 40 GHEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N2c3ccccc3CC[C@@H]2C)cc1 25009227 FDPZAUAVICSZGL-HXNWEGJNSA-N 379.460 3.754 30 40 GHEB C=CCN1C(=O)N[C@@H](c2csc(Br)c2)C(C(=O)OCC)=C1C 26434287 ZEZNOOJCVIKFQA-ZDUSSCGKSA-N 385.283 3.600 30 40 GHEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 101662245 WYPRNZWURRAJPP-LJQANCHMSA-N 381.423 3.574 30 40 GHEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224816791 ZSULWAIOIWFNNQ-UHFFFAOYSA-N 389.473 3.650 30 40 GHEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccc(F)cc1 408587441 FWZIAEUVECXFIY-KEWMMQSOSA-N 391.446 3.764 30 40 GHEB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\O)c1C 409252183 CKKFZOAGMZXTQL-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB C=CC[C@H](CC)NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 544112154 RTLNHDQWPGKSFP-JTQLQIEISA-N 375.782 3.555 30 40 GHEB COc1cc(OC)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 14734674 FWJAABFGXABPBS-LBPRGKRZSA-N 386.473 3.779 30 40 GHEB N/C(=N\CCC(c1ccccc1)c1ccccc1)Nc1ncccc1[N+](=O)[O-] 225241753 YUGCAJGQGUDOLK-UHFFFAOYSA-N 375.432 3.939 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccc(Cl)c1 6813259 VWZGLKXVLDRPFQ-KRWDZBQOSA-N 389.835 3.856 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc2ccsc2c1=O 8935516 CMMCCIRYOZIIKF-NSHDSACASA-N 391.543 3.503 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1OC 89429203 NXAJMZKXBASLQI-SFHVURJKSA-N 391.471 3.915 30 40 GHEB COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(OC)c1OC 408964326 GDIRBWPDVYFTKB-LFIBNONCSA-N 384.457 3.912 30 40 GHEB CCOC(=O)COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 408993987 XUSVQWBKNHXODW-PDGQHHTCSA-N 396.468 3.829 30 40 GHEB Cc1cccc(C)c1-n1c(C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 409409417 VDMISENCKOWISD-JYAXBFRTSA-N 387.483 3.852 30 40 GHEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 30882550 PRZQSEZZEWTSFS-HKBOAZHASA-N 380.536 3.889 30 40 GHEB biogenic,in-vitro C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 13104525 LKXSXPSGZABJDJ-JIIJFUIFSA-N 377.440 3.786 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc2ccccc12 102708510 ONDDUOYRYXMRLM-WOOAAIBNSA-N 377.396 3.501 30 40 GHEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N 1066594 RVJVYUUNVKTUBP-UHFFFAOYSA-N 398.444 3.715 30 40 GHEB COc1ccc(Cl)cc1NCCC(=O)N[C@@H](C#N)c1ccc(F)cc1F 78456015 GOIGLBDMVGLOIM-INIZCTEOSA-N 379.794 3.810 30 40 GHEB Cc1cnc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)s1 79017556 CTVJEUJBLDECIN-UHFFFAOYSA-N 388.500 3.759 30 40 GHEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 5638559 KYVTYBQHGMDNIU-QQZPLFJDSA-N 387.892 3.903 30 40 GHEB COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1CSCC(=O)O 13094368 CDAUSFCGQZBSHQ-XBXARRHUSA-N 386.425 3.607 30 40 GHEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 9110440 RILIGZFBHDHGEB-FQEVSTJZSA-N 393.439 3.777 30 40 GHEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)c2ccccc2n1 2646696 JMZWYXBFYAKCHN-UHFFFAOYSA-N 391.402 3.786 30 40 GHEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccccc1C 2400959 MMJADSWFDBAMBE-DHRITJCHSA-N 394.438 3.671 30 40 GHEB N#CCn1c(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2ccccc2c1=O 23185521 PNJOEBQHWMFPAF-UHFFFAOYSA-N 397.482 3.781 30 40 GHEB C=CCn1c(SCC(=O)NC(=O)c2cccs2)nnc1C1CCCCC1 6849228 MZQLFYWCKHXSIJ-UHFFFAOYSA-N 390.534 3.622 30 40 GHEB C#CC[C@H](NC(=O)c1csc(I)c1)c1ccccc1 89261534 FGELFWKEWSISNZ-ZDUSSCGKSA-N 381.238 3.847 30 40 GHEB O/C(CN1CCN(c2ccc(F)cc2)CC1)=N\c1nnc(-c2ccccc2)s1 20142496 PKOLGVAIEUHHCH-UHFFFAOYSA-N 397.479 3.754 30 40 GHEB aggregator C=CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 31870961 SCIJDCGJBCNTPX-SFQUDFHCSA-N 384.428 3.991 30 40 GHEB COc1ccc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6182141 ZSNKYRFITATSIK-LZYBPNLTSA-N 395.169 3.720 30 40 GHEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc2cccc(OC)c2oc1=O 4598220 SYGBKSQOCJEEJU-CMDGGOBGSA-N 396.395 3.724 30 40 GHEB biogenic CC(C)(C)c1ccc(/C=N/OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 23486645 DIMNZBKPCDXVDF-KOEQRZSOSA-N 393.531 3.679 30 40 GHEB Cc1c(C#N)c2ccccc2n1CC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 9028114 BXMOGYWJLPLUNS-OAHLLOKOSA-N 389.455 3.860 30 40 GHEB COc1ccc(C(=O)Nc2cc(C#N)c3sc4ccccc4n3c2=O)cc1 6721278 FYYFWXVGFKIAGE-UHFFFAOYSA-N 375.409 3.647 30 40 GHEB CCc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccco1 409129792 SMSRUKIFZWZTDV-UHFFFAOYSA-N 387.395 3.653 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c(OC)c1 18196801 BQMVPZQYGMXLPL-NRFANRHFSA-N 379.412 3.997 30 40 GHEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 22476577 FUXCSPRBPTWOGN-UHFFFAOYSA-N 386.373 3.614 30 40 GHEB Cc1ccc(C(=O)Oc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 408886298 JUAUYMFQJWUKQZ-WSDLNYQXSA-N 376.372 3.963 30 40 GHEB CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ncnn21 19959882 PMKQZSFJBPZUOL-RBZFPXEDSA-N 376.416 3.686 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F 102861184 AVMAQCYDQDRNSK-GROYHEBESA-N 389.810 3.547 30 40 GHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1F 662513 HMCBHNXZUSRGCF-INIZCTEOSA-N 391.414 3.844 30 40 GHEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 915198 WNIXDYHVCSGFPV-RUZDIDTESA-N 381.431 3.794 30 40 GHEB COc1cc([C@@H]2C(C(C)=O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O 1591351 ZISXMEHFVLOADF-FQEVSTJZSA-N 384.384 3.525 30 40 GHEB CN1CCN(c2ccc(/C=C3\Sc4ccccc4C3=O)cc2[N+](=O)[O-])CC1 4320379 OBKVEGSZDNHKMF-UYRXBGFRSA-N 381.457 3.676 30 40 GHEB CC(/C=N/n1c(=O)[nH]c2c([nH]c3ccc(Cl)cc32)c1=O)=C\c1ccccc1 4844393 VQCFIVQULHZAKB-DEELKPIBSA-N 378.819 3.762 30 40 GHEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)ccc1OCC#N 7350183 VQUNPRDBRCVWPE-VQHVLOKHSA-N 376.412 3.620 30 40 GHEB CCOc1ccccc1OCc1cc(/C=N/n2cn[nH]c2=S)ccc1OC 8479179 AXJPTBFRQGJDMG-SRZZPIQSSA-N 384.461 3.809 30 40 GHEB COc1ccc([C@@H]2C(C(C)=O)=C(C)N=C3Nc4ccccc4N32)c(OC)c1OC 15107079 OYYSHYLCCHUBKF-LJQANCHMSA-N 393.443 3.918 30 40 GHEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccccc3C(C)C)C(=O)NC2=S)cc1 16292820 QHORFMDPEIHYQS-SLCIXIPPSA-N 379.485 3.885 30 40 GHEB N#Cc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1Cl 19203162 BLCYPBMHAWEFMG-UHFFFAOYSA-N 376.199 3.802 30 40 GHEB N#Cc1ccccc1Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 23055056 SGDGTHXHDADCLY-UHFFFAOYSA-N 395.344 3.521 30 40 GHEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N1CCN(Cc2ccccc2)CC1 25326897 ODOOYRXEBHUWCY-LFVJCYFKSA-N 393.922 3.986 30 40 GHEB N#Cc1ccc(OC[C@H](O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 59387291 XLHDIKRHRVGWLI-GOSISDBHSA-N 390.405 3.981 30 40 GHEB O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccs1)c1ccccc1 96294914 PTMXAZBFBZCHPT-SFHVURJKSA-N 393.468 3.613 30 40 GHEB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100129368 KEUXLWIQTBTHBJ-PBHICJAKSA-N 394.858 3.815 30 40 GHEB COC(=O)c1cccc(CSc2nc(N)c(C#N)c(Cc3ccccc3)n2)c1 223665362 KTGKMYWATOOHAF-UHFFFAOYSA-N 390.468 3.600 30 40 GHEB O=[N+]([O-])c1cccc(CO/N=C\c2cc3c(cc2Br)OCO3)c1 408589749 FVXLVJOVKITTDS-IDUWFGFVSA-N 379.166 3.637 30 40 GHEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccccc2F)cc1 409348705 SEHRCVYMHMPUPN-UHFFFAOYSA-N 389.386 3.702 30 40 GHEB COc1ccc([C@@H]2C3=C(CCCC3=O)Oc3cc4c(cc32)OCO4)c(OC)c1 1589556 XAPWHNUQMAIWQY-NRFANRHFSA-N 380.396 3.964 30 40 GHEB CCCN(CCC)c1ccc(C(NC(C)C)=c2ccc(=C(C#N)C#N)cc2)cc1 2272784 JUPLMAWRLTVUEB-UHFFFAOYSA-N 386.543 3.665 30 40 GHEB CCCCc1ccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4738550 GPYXHILDMUQCRY-XNQWGTPPSA-N 381.407 3.770 30 40 GHEB CC(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3SCC#N)n2)cc1 5087430 SHYDMIWNUKWIMV-UHFFFAOYSA-N 392.488 3.718 30 40 GHEB N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)c1 7376851 PKUFKFVKFHNFOO-UHFFFAOYSA-N 376.481 3.992 30 40 GHEB C=CCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)cc1OC 12221378 MWKUQSITOWDGNY-INIZCTEOSA-N 392.459 3.551 30 40 GHEB CCOc1c(Br)cc(/C=N/NCc2ccccc2OC)cc1OC 20761455 HXGNQTMZOLUXJB-RGVLZGJSSA-N 393.281 3.989 30 40 GHEB O=S(=O)(Oc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1)c1ccccc1 59417084 RUCPAHYQHRBBCM-KGENOOAVSA-N 392.440 3.777 30 40 GHEB O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1)c1ccccc1 95547886 KQCPTYXNVCECFN-HXUWFJFHSA-N 387.439 3.552 30 40 GHEB C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 2082122 VOADVRFDQJRGNR-NRFANRHFSA-N 392.455 3.965 30 40 GHEB C=CCOC(=O)c1c(N)n(CCCOCCCC)c2nc3ccccc3nc12 2371458 HIWLRPPCYBUAKQ-UHFFFAOYSA-N 382.464 3.716 30 40 GHEB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1c(F)c(F)cc(F)c1F 2739530 RBUPWYHOCXPQCS-UHFFFAOYSA-N 381.251 3.974 30 40 GHEB CCCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 4326176 UODHFNHKERORJI-ZMOGYAJESA-N 390.447 3.562 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 4704886 JPWIEYDDIWYPEX-SFQUDFHCSA-N 381.409 3.793 30 40 GHEB COc1ccc(/C=N/Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 15453798 QFEOUJLZRCXVPB-SSDVNMTOSA-N 395.488 3.829 30 40 GHEB CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(C)c3[C@H]2C)cc1OC 96935774 UOZJRJIVFAGZGZ-KNGSKEOJSA-N 395.455 3.608 30 40 GHEB C/N=C1/S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C(=O)N1C 408929824 OOYCELWZLGABEH-FYQLEFRXSA-N 397.500 3.721 30 40 GHEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccnc1 1531180174 KIQQCEWQWSWKIN-NHDPSOOVSA-N 385.265 3.734 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C(C(=N\O)/c2ccccc2)\c2ccccc2)cc1 16927766 QESFTDWENQWUBL-JKZRTEGISA-N 393.468 3.556 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100973716 PMZJFNIGYHXHPM-SWTGTHOSSA-N 390.461 3.507 30 40 GHEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 973314 ITSYDHSEUJOBHG-BUVRLJJBSA-N 385.423 3.963 30 40 GHEB C[C@]1(C2=CC(=O)c3ccccc3C2=O)C(=O)Nc2cc(Br)ccc21 1719418 NACYKWAGIACRBU-IBGZPJMESA-N 382.213 3.665 30 40 GHEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 4628530 YANTYTQPUBOYOW-LDADJPATSA-N 392.411 3.764 30 40 GHEB COc1ccc([C@H]2CCCN2CC(=O)N(C)C2(C#N)CCC(C)CC2)c(OC)c1 12862077 JWHOJHCDUUTIKX-WEQDKIBNSA-N 399.535 3.772 30 40 GHEB CC(C)c1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2=O)c1 31432983 OCMHMQQOXNNAKB-JXFKEZNVSA-N 375.472 3.912 30 40 GHEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(Cl)cc2F)s1 32891715 BROXTVGTLHXRCE-UHFFFAOYSA-N 390.849 3.643 30 40 GHEB O=C1C=CC(=O)C(CNc2ccc(C(=O)OC34CC5CC(CC(C5)C3)C4)cc2)=C1 73258736 TXXUWUFMSLQMBL-UHFFFAOYSA-N 391.467 3.859 30 40 GHEB COc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102727905 XCSHFGATYGRNNT-HVESIFNPSA-N 396.424 3.679 30 40 GHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225014539 NGHNIRGJNFJMBF-UHFFFAOYSA-N 376.434 3.763 30 40 GHEB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)NC1=S 409079102 KFPYXZJARXZYSH-PDGQHHTCSA-N 377.469 3.605 30 40 GHEB COc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccc(C)cc1 409341739 BTDUSDBHJFOFBX-JMIUGGIZSA-N 386.498 3.777 30 40 GHEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OCCOC 4950119 RXLSGULDKCXUHM-KRWDZBQOSA-N 398.507 3.833 30 40 GHEB CC(C)OC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009244 ZABJFECELGJMMU-UHFFFAOYSA-N 393.468 3.578 30 40 GHEB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)c(C)c(C)c2C#N)c1C 5172541 SBBXPSBSBNCMPE-CQSZACIVSA-N 385.489 3.974 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 6554076 IJMNGIXMOYWUCV-QGZVFWFLSA-N 393.349 3.538 30 40 GHEB CCOCCC/N=C(\S)NCCCNc1nc2c(C)cc(C)cc2cc1C#N 13555988 SRBAQYXBBDBCCG-UHFFFAOYSA-N 399.564 3.827 30 40 GHEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)n1 23105092 OGUISJHBJWCCMF-GFCCVEGCSA-N 395.469 3.951 30 40 GHEB O=[N+]([O-])c1c2c(c([N+](=O)[O-])c3c1C(F)(F)OC3(F)F)C(F)(F)OC2(F)F 68590998 DVWGSXKIJGQKEF-UHFFFAOYSA-N 396.102 3.761 30 40 GHEB biogenic C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC 101231713 HXLZJKRGRNVCEV-YDJIHCHBSA-N 393.439 3.620 30 40 GHEB COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218392788 LTJKCXNQXUJMGF-CEXWTWQISA-N 375.877 3.745 30 40 GHEB COc1ccccc1OCc1nc(SCc2cccc(F)c2)nc(N)c1C#N 223691326 BGLUOONBFLUUFE-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB CCOC(=O)N1N=C(C(F)(F)C(F)(F)C(F)(F)F)C[C@]1(O)C(C)(C)C 408923354 PKNPHHQDCSTWNK-JTQLQIEISA-N 382.276 3.772 30 40 GHEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 409185506 ZJLJKDGZXVZHLQ-HZHRSRAPSA-N 382.460 3.604 30 40 GHEB CN(C)c1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 4750867 ABJMLCCVOGYIJW-LFVJCYFKSA-N 383.455 3.898 30 40 GHEB C=CCNC(=O)[C@H](C)OC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 7175320 FBABNKIEZLYRJK-HNNXBMFYSA-N 397.500 3.610 30 40 GHEB CCCCCCCCCNC(=O)c1c(O)[nH]c2cc(OC)c(OC)cc2c1=O 2145431 JZNSQUHXSKNYFS-UHFFFAOYSA-N 390.480 3.731 30 40 GHEB biogenic CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc2c(c1)CCCC2 58967407 QETMEMAKIMCUBG-UHFFFAOYSA-N 375.516 3.570 30 40 GHEB C=CCOc1ccc(CN(C)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 12810922 JISPTKAPYXDRPI-SBUREZEXSA-N 399.535 3.778 30 40 GHEB Cc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)o1 10471007 NPAFAEQKEBJURI-UHFFFAOYSA-N 377.400 3.663 30 40 GHEB N#Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12938313 RKEDPXTXUPPDPR-UHFFFAOYSA-N 377.469 3.953 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 17079167 XKAMFXYELRRGEA-LICLKQGHSA-N 387.686 3.805 30 40 GHEB COc1cc2c(c(OC)c1)[C@H](c1ccc(OC)c(O)c1)C1=C(CCCC1=O)N2 18200481 OUJAZKNVTVLYDX-HXUWFJFHSA-N 381.428 3.983 30 40 GHEB CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(N2CCOCC2)cc1 408930597 ZGWMDIJLWMVSPR-CAUPHXMNSA-N 385.514 3.819 30 40 GHEB O=C[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218245161 UVMUYCQDYVHVMJ-PMPSAXMXSA-N 399.693 3.857 30 40 GHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223122320 WXLWOYODPUCKSS-FQEVSTJZSA-N 384.907 3.992 30 40 GHEB C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC)C1 19498654 VVRBCKINRKRAFZ-XMMPIXPASA-N 391.515 3.612 30 40 GHEB C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cs1 3568779 SHQPPUDRRZTENZ-UHFFFAOYSA-N 382.441 3.693 30 40 GHEB CC/C(=N\OC/C=C/Cl)C1=C(O)C[C@H](C[C@@H](C)[S@@](=O)CC)CC1=O 227090603 UABMGBLIZYILDD-UGOKVWFASA-N 375.918 3.860 30 40 GHEB in-vitro O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2 17016579 CBLSHPXGEFVYRK-RNODOKPDSA-N 376.391 3.539 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2nc(-c3ccccc3)ns2)n1 2890671 RLAWSRCUPQIKGB-UHFFFAOYSA-N 381.486 3.819 30 40 GHEB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C#N)[C@@H]1c1ccc(Cl)cc1 4566121 NCCZHVZRRIMXQV-LLMJNHHCSA-N 397.858 3.603 30 40 GHEB C=CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 4660288 MQXZEVDYXUPQGY-ATVHPVEESA-N 396.468 3.531 30 40 GHEB CCc1cc(C)cc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c1 4663635 KMLYEHBWRYVMDK-YDZHTSKRSA-N 380.517 3.758 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2F)cc1 5446074 XLGBDACGNAXWRX-JXFKEZNVSA-N 395.430 3.891 30 40 GHEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1 6304017 WOVOKSZBJKZMDH-UHFFFAOYSA-N 391.909 3.972 30 40 GHEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)COc3ccccc3)c2C#N)C1 6824561 GEKCMAADMZAZSS-LBPRGKRZSA-N 385.514 3.637 30 40 GHEB N/C(=N\OC(=O)[C@@H]1C[C@H]1c1ccccc1F)c1cccc(Br)c1 8986402 KTHBXOVWKFZTNS-UONOGXRCSA-N 377.213 3.555 30 40 GHEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 20064961 DEDLCLVZGIPHLH-FQEVSTJZSA-N 396.462 3.746 30 40 GHEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102695467 HGQXUCPQZRRDPD-SELCWUDQSA-N 394.383 3.601 30 40 GHEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 218392873 LTJKCXNQXUJMGF-FHWLQOOXSA-N 375.877 3.745 30 40 GHEB CCOc1ccc(Br)cc1/C=N\OCC(=O)Nc1ccccc1 409378935 SNTLDIJELWVSGF-ODLFYWEKSA-N 377.238 3.837 30 40 GHEB C=CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(OC)c(OC)cc21 101035616 PVGMHOQQSFXISR-DQRAZIAOSA-N 396.468 3.850 30 40 GHEB CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c(C)c(C)c3C#N)C2=O)cc1 100587637 XSONSJBGLFWHLS-GOSISDBHSA-N 395.484 3.701 30 40 GHEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc(C#N)c1 100006050 LOLZYPMKWYENHJ-HKOYGPOVSA-N 386.440 3.872 30 40 GHEB N#Cc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12929550 PABYORHHDQITNV-MRXNPFEDSA-N 377.469 3.953 30 40 GHEB O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(N2CCCC2=O)cc1 5327306 QNSJANLIDRKRNQ-LFYBBSHMSA-N 376.456 3.546 30 40 GHEB C/C(=N\Nc1cc(C)c2cc(C)cc(C)c2n1)c1ccc(OCC(N)=O)cc1 5688002 UCAWDFZSUYWXQU-PCLIKHOPSA-N 376.460 3.860 30 40 GHEB O=C(Cn1cc(/C=N\c2ccc(F)cc2F)c2ccccc21)N1CCOCC1 408847821 VUGKIYQQXWLXOB-MSXFZWOLSA-N 383.398 3.529 30 40 GHEB O=C(O)Cn1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 408960179 DCBOTGODTGHJFY-RQZCQDPDSA-N 395.415 3.757 30 40 GHEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218348723 VXGJUNFHEJWHKQ-URVUXULASA-N 397.496 3.570 30 40 GHEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 6438712 FGAOXBPLAWGKDX-LSHDLFTRSA-N 395.887 3.885 30 40 GHEB N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccc2c(c1)OCCCO2 23330070 GYQUXEDVNQGFMJ-KRWDZBQOSA-N 397.500 3.947 30 40 GHEB CCOC(=O)/C(=N/CCc1ccccc1)NNc1cccc(C(F)(F)F)c1 3188398 ISVRYFJIMOVURH-UHFFFAOYSA-N 379.382 3.826 30 40 GHEB COc1cc2ccccc2cc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3252252 NFXZBXALTIOTIU-UHFFFAOYSA-N 388.423 3.952 30 40 GHEB CC[C@]1(C)NC(=O)N(/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1=O 3528411 ZCXCDVGTBFUPHT-WZIKDTQPSA-N 394.262 3.542 30 40 GHEB CCOc1ccc(CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 3584206 SATGBYAONKABGX-UHFFFAOYSA-N 387.867 3.689 30 40 GHEB O=C(COc1ccc(/C=N\O)cc1Br)Nc1ccccc1Cl 409267365 VFAKFMFXLGXAEC-LSCVHKIXSA-N 383.629 3.928 30 40 GHEB CCCCc1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 4738601 ULGAKSKSLBRWPR-IXOWOOARSA-N 393.443 3.639 30 40 GHEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 409149778 QPPLNTRXGAPPGB-IXCPZBNZSA-N 386.451 3.797 30 40 GHEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224638925 KYZJVZCUIBRFID-UHFFFAOYSA-N 389.473 3.562 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(O)cc2)nnc1-c1cccc(OC)c1 531761465 BEKNNXPJHAMKOO-UHFFFAOYSA-N 381.457 3.820 30 40 GHEB Cc1cncc(CN2CCC(c3csc(=Nc4ccc(C#N)nc4)[nH]3)CC2)c1 585295196 PMHHNZZNRIAFBN-UHFFFAOYSA-N 390.516 3.658 30 40 GHEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc([N+](=O)[O-])cc1 13161589 PEJHQIHWDYTBHM-GRSHGNNSSA-N 388.335 3.825 30 40 GHEB N#Cc1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2 6241799 GPIDQOBHLSMDNG-UHFFFAOYSA-N 375.906 3.818 30 40 GHEB COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 6786755 ACWBIOXSBZBGAL-QAPCUYQASA-N 399.468 3.514 30 40 GHEB CC(C)[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 6790016 HVENVPXVUFNKRR-QFIPXVFZSA-N 380.444 3.612 30 40 GHEB COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc21 12550726 FFLNGSFAGCGOTM-AWEZNQCLSA-N 380.473 3.674 30 40 GHEB N#CCCn1c(SCC(=O)NCCc2ccc(F)cc2)nc2ccccc21 37868127 BIUOXECWEBTUEK-UHFFFAOYSA-N 382.464 3.540 30 40 GHEB CCc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1 3461275 OQTSHJGKJCLURF-GOSISDBHSA-N 389.550 3.991 30 40 GHEB N#CC1(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)CCCC1 7654911 ZETSUZGUKRWUBJ-UHFFFAOYSA-N 380.828 3.803 30 40 GHEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1)N1CCOCC1 409229741 ULFHNNXOTXEHCN-UUYOSTAYSA-N 393.270 3.982 30 40 GHEB O=C(C[C@@H]1S/C(=N/C2CCCC2)NC1=O)Nc1cccc(C(F)(F)F)c1 21132059 JQPJMYPGJYPZJM-ZDUSSCGKSA-N 385.411 3.564 30 40 GHEB C=C(C)COc1cccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)c1 96256735 CGRLFQPBCPXVSP-UHFFFAOYSA-N 379.416 3.630 30 40 GHEB C=C[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 1153488822 IXFAQKIWHMFTSM-OAHLLOKOSA-N 375.222 3.943 30 40 GHEB Cc1ccc(S(=O)(=O)/N=C2/Nc3ccccc3[C@@H](c3ccccc3)N2)cc1 5588014 QYNUTHJHYAGNCD-HXUWFJFHSA-N 377.469 3.844 30 40 GHEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)c1 575612212 JJLIOQPCQOSMDH-MRXNPFEDSA-N 392.484 3.597 30 40 GHEB N#Cc1nc(/C=C/c2ccccc2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32124544 FYAGZLQIDRNOSJ-UIVAWZFMSA-N 384.439 3.502 30 40 GHEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)no1 102862469 VMLAGBCKJPVBSH-HVESIFNPSA-N 395.802 3.658 30 40 GHEB N#Cc1c(NC(=O)c2cccc(I)c2)sc2c1CCC2 4616742 OYJIYCQNWNMVFU-UHFFFAOYSA-N 394.237 3.965 30 40 GHEB CCOc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OC(C)=O 4700479 TZXNEAMXVAMDPC-KEBDBYFISA-N 376.796 3.808 30 40 GHEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 4944633 PHBNKESPTVLSBO-GFCCVEGCSA-N 395.406 3.551 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5268964 JXTFSPCEJVBSQL-UHFFFAOYSA-N 381.794 3.813 30 40 GHEB C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 5895813 XETUHGSVGSJVQJ-LICLKQGHSA-N 387.686 3.805 30 40 GHEB CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccs1 6169085 RZTFINHJOOXYIE-UHFFFAOYSA-N 375.504 3.690 30 40 GHEB C=CCn1c(SCC(=O)NC(=O)Nc2ccccc2)nnc1-c1ccccc1 6658524 FTFPALJTQYYUQV-UHFFFAOYSA-N 393.472 3.572 30 40 GHEB COc1ccc(-c2nnc(S)n2/N=C\C=C/c2ccccc2[N+](=O)[O-])cc1 12467856 YJCNOHIAVMWDAO-QLQJHXSQSA-N 381.417 3.698 30 40 GHEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(O)cc2)cc1 16741322 ADKLZSLQSLHJRY-HXUWFJFHSA-N 391.423 3.721 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)c1 20933445 SVMQBTZWNMVEQM-UFWORHAWSA-N 384.339 3.640 30 40 GHEB CN(C)c1ccc([C@@H](CNc2oc(-c3ccccc3)nc2C#N)N(C)C)cc1 27991058 UWVDQIWCLCIHBL-HXUWFJFHSA-N 375.476 3.994 30 40 GHEB CCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC 73295739 LTCDSUZIFHLDRH-GOSISDBHSA-O 398.501 3.608 30 40 GHEB O=C1C=CC(=O)[C@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100437605 NLQWHIOPRSWUAS-XYMMMQBSSA-N 380.869 3.772 30 40 GHEB CC1=C(C)/C(=N\C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=CC1=O 101027908 BPNHVAFYFDBDNA-UNJMICPPSA-N 378.453 3.738 30 40 GHEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C 409314853 STYICFWLXXHLHE-LBPRGKRZSA-N 387.281 3.893 30 40 GHEB Cn1cc(-c2cnc3nc4c(cc3c2)CN(Cc2ccc(C#N)cc2F)CC4)cn1 2298156880 HBKKEMJSGXFDSP-UHFFFAOYSA-N 398.445 3.599 30 40 GHEB N#Cc1ccccc1OCC(=O)Nc1nc(SCc2ccccc2)ns1 3355073 VISQREBEKLFHSG-UHFFFAOYSA-N 382.470 3.720 30 40 GHEB O=C(C[C@@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O)Nc1ccc(F)cc1F 7883256 RBDIAXCVTZDDKS-AWEZNQCLSA-N 395.818 3.866 30 40 GHEB C=C(C)CN(CC)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 12557559 NPUVVHYCKCWISG-GFCCVEGCSA-N 390.578 3.915 30 40 GHEB COc1ccccc1CN/N=C/c1cc(Br)c(OC)c(OC)c1 20761450 DCRHUQLHLHGWIV-VXLYETTFSA-N 379.254 3.599 30 40 GHEB C=CCN1C(=O)N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 39556447 CLOICUOJCBBRIP-XDHOZWIPSA-N 375.403 3.907 30 40 GHEB O=C1C(=C/c2ccc(Br)cc2)/C(=N/c2nnc[nH]2)c2ccccc21 98086390 NWRSBIYVWMUTOK-HSGJKIJMSA-N 379.217 3.968 30 40 GHEB O=[S@@](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 135648410 IYYLVCKNCOIEJX-UHFFFAOYSA-N 384.113 3.904 30 40 GHEB in-vitro COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1 408963880 DMZRWVFRJJEMEX-MHWRWJLKSA-N 385.401 3.504 30 40 GHEB COC(=O)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(C)c1 409105654 NTKCZFPNDLTIFV-QGMBQPNBSA-N 393.193 3.909 30 40 GHEB CCN1C(=O)[C@H](Cc2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 409145956 QWYDAFNTJOTPHN-MKSIGINJSA-N 384.457 3.618 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2cccc(C)c2)[C@H]2C[C@]1(C)Oc1ccccc12 4275551 IBEMTEADOXCYPF-LEDOBFOHSA-N 376.456 3.860 30 40 GHEB C=CCN1C(=O)[C@H](C(=O)Nc2ccc(C)cc2)[C@@H]2C[C@]1(C)Oc1ccccc12 100632490 ITYCOBHEGFQMOE-RFWXGWTQSA-N 376.456 3.860 30 40 GHEB N/C(=N/OCc1ccccc1C(F)(F)F)c1ccnc(N2CCCCC2)c1 58391726 KTAUJXYEMYSQKK-UHFFFAOYSA-N 378.398 3.928 30 40 GHEB CCOc1ccc(CCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 10675674 CGGYOWZTJODFIV-UHFFFAOYSA-N 398.528 3.990 30 40 GHEB CC(C)c1ccc(C[C@@H]2SC(N/N=C/c3ccc([N+](=O)[O-])cc3)=NC2=O)cc1 6257024 DTIKKWQSTMNAHI-IUOVYFEOSA-N 396.472 3.882 30 40 GHEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 20673908 WWUAZOXWBVSMAG-GOSISDBHSA-N 390.487 3.633 30 40 GHEB CNc1snc(C)c1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 21669932 ZVKLCPXPLDHKED-MHWRWJLKSA-N 385.489 3.531 30 40 GHEB N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCCCCC2)CC1 38653573 QXOKQDZWVDSJGI-UHFFFAOYSA-N 380.467 3.865 30 40 GHEB Cc1cc2nc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)sc2cc1C 5299321 XWNQEUWNOHSYFI-UHFFFAOYSA-N 376.485 3.747 30 40 GHEB C=C(C)Cn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 16788626 KQDRZCIPZBHJAG-UHFFFAOYSA-N 379.489 3.955 30 40 GHEB COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1OC 4125207 YUIBNCJWBXAXAZ-CAOOACKPSA-N 381.182 3.831 30 40 GHEB C=CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cccc(OC)c21 100909794 FKGBVQYQIYIKBI-MRCUWXFGSA-N 384.457 3.656 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C#N)C1 4325524 UEAQCCCQJVWOLM-CYBMUJFWSA-N 388.514 3.547 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C[C@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 36367775 VUCLZXQOYVRHRE-HFAAFMBOSA-N 399.531 3.672 30 40 GHEB biogenic O=C1N[C@@H](c2ccc(Br)cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O 100455401 SOSFTOLFUHRDOD-MRPLLJTBSA-N 392.636 3.812 30 40 GHEB O/N=C(\c1ncc(C(F)(F)F)cc1Cl)N1CCN(Cc2ccccc2)CC1 20365177 IPUWUECHBMZJSD-JJIBRWJFSA-N 398.816 3.707 30 40 GHEB CCN1CCN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)CC1 2418084 UEGPWSMKVTXMKK-UHFFFAOYSA-N 381.263 3.574 30 40 GHEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1cccs1 100974395 TYSDPGAXWTYTHD-DDABOFDQSA-N 396.540 3.657 30 40 GHEB C=CCNc1nc(SCC(=O)NC(=O)Nc2ccccc2)nc2ccccc12 71415891 SNQDHPXIOQGMOS-UHFFFAOYSA-N 393.472 3.668 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1cccnc1 9594964 LNELKLIAUVULIV-HNNXBMFYSA-N 379.489 3.954 30 40 GHEB Cc1sc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)c(C#N)c1C 96971467 BRZSQMZRBOEYRK-UHFFFAOYSA-N 377.897 3.839 30 40 GHEB O=C1CCCC2=C1[C@@H](c1ccccc1)n1nc(SCc3ccccn3)nc1N2 18198826 DQMHOHQHUZGJNR-LJQANCHMSA-N 389.484 3.987 30 40 GHEB C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1OC 8869656 YVABMNCTUVWZIX-HXUWFJFHSA-N 391.423 3.850 30 40 GHEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1 8914213 JCJDMELQQQTGDN-MRXNPFEDSA-N 395.415 3.769 30 40 GHEB CCCCCCCCS(=O)(=O)C[C@@H](O)CSc1nc(C)cc(C)c1C#N 97956944 HCQHVGKUKWIUSD-KRWDZBQOSA-N 398.594 3.798 30 40 GHEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1cccs1 409079717 LBGFIHREOIDRCB-YIWUSOAVSA-N 384.460 3.974 30 40 GHEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 8410931 ZRJHSBPYERXVFN-RNJZWHOHSA-N 388.537 3.684 30 40 GHEB C=CCOc1ccc(CN(C)C[C@@H](O)COc2ccc(CCC(C)=O)cc2)cc1 5859312 AERZPGPMSZKQKX-JOCHJYFZSA-N 397.515 3.645 30 40 GHEB COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 19959788 XZITUIVPHNSHQN-VFZGTOFNSA-N 378.354 3.574 30 40 GHEB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N\O)CC(C)(C)C2 100931474 HBRHRGAUMLKZHV-JLPGSUDCSA-N 399.466 3.840 30 40 GHEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(O)c1 720027 ACTWUIQIPUOVDZ-FOPRYUNUSA-N 378.428 3.623 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)NCc3cccs3)nc2cc1OC 1355229 ULVXMVWZNRFKAS-UHFFFAOYSA-N 399.497 3.594 30 40 GHEB CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2ccco2)cc1 2664054 WRCYPICRJFOJAY-UHFFFAOYSA-N 396.468 3.941 30 40 GHEB N#Cc1c(NC(=O)CCSc2nnc3ccccn23)sc2c1CCCC2 3205639 UZJWISFSBNTJOS-UHFFFAOYSA-N 383.502 3.662 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2Cl)cc1OC 5408737 QOEVDQSZZZANMI-KRWDZBQOSA-N 387.819 3.565 30 40 GHEB Cc1cc(N(CCC#N)CCC#N)ccc1C[C@H]1N=C(c2ccccc2)OC1=O 5552639 CAXCBLIMJGHOFX-OAQYLSRUSA-N 386.455 3.543 30 40 GHEB Cc1cc(-c2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)[nH]n1 9374961 NYWQUFTXMJDTSI-CIAFOILYSA-N 390.472 3.727 30 40 GHEB C#CCN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 13546551 LYYZWFPXEADCLH-YBEGLDIGSA-N 384.369 3.533 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 17138366 YIMFZMAWOPBJJJ-HXUWFJFHSA-N 385.423 3.564 30 40 GHEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)S2)cc1 18254770 LWTATSWBPPCZSK-ATVHPVEESA-N 382.441 3.764 30 40 GHEB COc1cccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)c1 22608754 PAGITFBEFQFJOD-VBKZILBWSA-N 376.416 3.604 30 40 GHEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)o1 95451322 AGTCNPMPCJMOJO-ROUUACIJSA-N 378.428 3.704 30 40 GHEB N#Cc1ccccc1COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96402949 DBOGJYUXUXGTJZ-DEDYPNTBSA-N 397.394 3.546 30 40 GHEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1 100913092 SMMAXODMHYXODS-PHBZZUMJSA-N 384.482 3.534 30 40 GHEB CN(C)c1ccc(/C=N/N2CC(O)=C(c3nc4ccccc4s3)C2=N)cc1 102730841 HSATXKQOPXFRGR-SRZJJHSQSA-N 377.473 3.958 30 40 GHEB CCCCCCO[S@@](=O)OCCCCOS(=O)(=O)CCCCCC 4429871 DULLGIURNGJYMN-QHCPKHFHSA-N 386.576 3.886 30 40 GHEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccncc1 5868780 PJSIWJUQMKQYGA-OAHLLOKOSA-N 382.489 3.622 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 6420230 OALOXXFTKQLWJY-GOSISDBHSA-N 385.847 3.955 30 40 GHEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OCC)cc2)c1=S 6870391 XJJGVIUZTRMNSE-UHFFFAOYSA-N 395.484 3.756 30 40 GHEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCC(F)(F)F 7656957 PWKVRQSJCYYFJA-UHFFFAOYSA-N 394.374 3.545 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11181676 HXECGONFWVAFID-AWEZNQCLSA-N 375.384 3.810 30 40 GHEB C=CCn1c(S[C@@H]2CCOC2=O)nc2cc(-c3ccccc3)sc2c1=O 12856966 MUHLPVRCFCNXNV-CQSZACIVSA-N 384.482 3.719 30 40 GHEB CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1)=C2 58367764 PDTUVPHNBQXCQP-UHFFFAOYSA-N 393.848 3.860 30 40 GHEB N#Cc1cccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c1 59925851 HZVKBPQFOVPMPF-UHFFFAOYSA-N 379.729 3.785 30 40 GHEB O/C(CN1C[C@@H]2CCC[C@@H]21)=N\c1cc(C(F)(F)F)ccc1N1CCOCC1 79051916 XEGBLBTVPANGKR-BBRMVZONSA-N 383.414 3.614 30 40 GHEB C[C@@H]1[C@@H](O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@H]([C@@H](C)OCCO)[C@]21C 118922818 QYNFANMFCUHLFE-SPOIKQOPSA-N 390.564 3.749 30 40 GHEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224787967 CJRDLXKSOVFBPF-UHFFFAOYSA-N 376.434 3.683 30 40 GHEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 409043586 RTDPIEJOMXZKMY-BKRYSXMQSA-N 398.462 3.653 30 40 GHEB N#Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c(F)c1 409215774 FCVZZHRQWXJFKQ-UHFFFAOYSA-N 381.388 3.616 30 40 GHEB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]12C 4720686 GBEMDSZXTFIZDP-CXJHFUFTSA-N 388.504 3.992 30 40 GHEB in-vitro C=CCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21 2227873 YNTNGPAHNXHCCJ-LJQANCHMSA-N 383.245 3.699 30 40 GHEB C=CCNc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)s1 10325673 UNAFBMCCNZNHTP-UHFFFAOYSA-N 389.531 3.990 30 40 GHEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 9390068 RHRVDUOFJXYEMQ-LBPRGKRZSA-N 399.432 3.752 30 40 GHEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 6293533 CBTRSLOBTMRHQT-UHFFFAOYSA-N 394.456 3.938 30 40 GHEB N#CC1CCN(C(=O)c2oc3ccccc3c2CSc2ncccn2)CC1 65516100 XMHDNQZDYHOEIZ-UHFFFAOYSA-N 378.457 3.891 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 8074776 PSXZLLJQFNIOPW-QGZVFWFLSA-N 390.892 3.730 30 40 GHEB O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 17080756 FGSJZVGQKRWGDJ-JMIUGGIZSA-N 395.271 3.696 30 40 GHEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225001247 CLLQDXMBDXTHNQ-UHFFFAOYSA-N 386.351 3.995 30 40 GHEB C[C@H]1NN(c2ccccc2)C(=N)/C1=N\Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 96305889 XGZLIDDCLLHEFR-OHRCZJBPSA-N 392.341 3.772 30 40 GHEB CCc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102555559 JDEPLYXFKSEQCZ-SELCWUDQSA-N 378.384 3.765 30 40 GHEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl 870985 SAZXVRQDWZUTLG-INIZCTEOSA-N 377.227 3.873 30 40 GHEB COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)c(OC)c1 4934935 GOEHRYBRCFHAFZ-GYADNHGKSA-N 397.500 3.866 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)nc2ccccc2c1=O 10093241 VLJKYMNQIYCEPP-HRCADAONSA-N 385.533 3.568 30 40 GHEB Cc1cc(OCC(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)ccc1Cl 5353335 ZNKSDHQNTRBDQZ-JAIQZWGSSA-N 399.874 3.944 30 40 GHEB C#CCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1Br 409085766 DGHKPBRDDYLLBX-YHYXMXQVSA-N 399.038 3.540 30 40 GHEB COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(F)cc3)nc2cc1OC 35288596 LJJSVGSLOSEQPL-UHFFFAOYSA-N 397.431 3.994 30 40 GHEB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C#N)c1 225771140 UDMAPKGALHDGFB-UHFFFAOYSA-N 395.415 3.552 30 40 GHEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220566589 KKWGCJCTKMBMIX-HXUWFJFHSA-N 399.516 3.553 30 40 GHEB O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1csc(C2CC2)n1 78992913 JFDPNPQHNXASKF-UHFFFAOYSA-N 379.407 3.890 30 40 GHEB C#CCOC(=O)c1ccc(OC)c(OCc2cccc(Br)c2)c1 226322225 XQBOOOPRLLHDFL-UHFFFAOYSA-N 375.218 3.827 30 40 GHEB CCCC/N=C1\S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CCCC 12173276 JUMQOMBRFKELOX-QBEKEKFNSA-N 391.537 3.924 30 40 GHEB O=C(O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5206366 BIJSWRATEIUKGG-CHHVJCJISA-N 375.174 3.529 30 40 GHEB Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(F)cc3)nc2C#N)CC1 12418297 YEBSDCBSYGIPBJ-UHFFFAOYSA-N 390.418 3.623 30 40 GHEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 4312384 MUAJKKIBMBMEDO-KRWDZBQOSA-N 391.814 3.913 30 40 GHEB CCc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3SC)C(=O)NC2=S)cc1 4738579 WEEKQWLXPYORSY-VRCTWVPOSA-N 397.525 3.737 30 40 GHEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1 5461180 FWIHAKPZXDVHFQ-FVUPAENESA-N 380.901 3.678 30 40 GHEB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 7853923 OXYJAVSWVSIBQY-QMMMGPOBSA-N 379.898 3.757 30 40 GHEB C=CCOc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1OC 11286588 LTIXYAYXDNFVJZ-XFFZJAGNSA-N 386.292 3.511 30 40 GHEB COC(=O)Cn1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c2ccccc21 13402586 OBXZLTZXYSTFAW-WQRHYEAKSA-N 391.452 3.706 30 40 GHEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 18189096 CNHIBCCWXSLOQE-HXUWFJFHSA-N 378.403 3.834 30 40 GHEB C=CCOc1c(Br)cc(/C=C2/N=C(S)N(C)C2=O)cc1OCC 33749602 CGEAVNONBVPCBX-XYOKQWHBSA-N 397.294 3.511 30 40 GHEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)c1C#N 33784238 XYCQBFBQCKFOFY-KSEXSDGBSA-N 390.399 3.812 30 40 GHEB C=CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(OC)c21 100909714 WGRJDLSEPKNKJE-DQRAZIAOSA-N 392.436 3.745 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cccc(Cl)c21 100910094 OAWDCBRNOKXWJZ-VZCXRCSSSA-N 386.860 3.748 30 40 GHEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 102643247 AQFVKQYKABSMIX-GHNGSUTGSA-N 399.830 3.627 30 40 GHEB CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2cccs2)c2ccccc21 103740915 XTZMJNMTWYIIMN-MSUUIHNZSA-N 396.468 3.580 30 40 GHEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@H]2c2ccc(Br)cc2)cc1 242548863 LXHDBWNEWCSUIY-BRWVUGGUSA-N 379.275 3.512 30 40 GHEB COc1ccc(O/C(C(=O)O)=C(/Cl)C=NNc2ccc([N+](=O)[O-])cc2)cc1 255003823 BHEUNGJPQWQRJZ-ZDXMTASJSA-N 391.767 3.615 30 40 GHEB Cc1ccc(Sc2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1 409404097 BXWSRHTWFHQRHD-KODHJQJWSA-N 378.453 3.880 30 40 GHEB N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nncs1)CCCC2 24569940 JXXLUVVZCFRZMA-UHFFFAOYSA-N 395.513 3.810 30 40 GHEB C=CCn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1ccccc1 3563058 JDEVRXAPDLGGIS-UHFFFAOYSA-N 392.528 3.972 30 40 GHEB O=C(/C=C\Sc1nnnn1-c1ccccc1)c1cccc(Br)c1 6927913 NNJIPXYAWOKEIO-KTKRTIGZSA-N 387.262 3.914 30 40 GHEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 8022643 ZVWBPGVHRAIOCZ-FQEVSTJZSA-N 395.455 3.786 30 40 GHEB CC[C@]1(C)NC(=O)N(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 6603987 FNMULTPXTBQOIO-DHNIJCFSSA-N 387.443 3.594 30 40 GHEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7307031 ADAUBYWXBZDHJW-OAHLLOKOSA-N 383.498 3.736 30 40 GHEB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 18195072 YGPWMCLLAWKSPE-HXUWFJFHSA-N 377.419 3.827 30 40 GHEB C=CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OCC)cc1OC 408999619 VDXDDHYLKYBQSM-PDGQHHTCSA-N 399.487 3.979 30 40 GHEB C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1cccc2ccccc12 33039559 QOVJSXOYYITZMU-MRXNPFEDSA-N 386.455 3.609 30 40 GHEB COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218549092 LVVBPJUYLQELHU-FGTMMUONSA-N 379.840 3.575 30 40 GHEB N#CCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 5878333 CNMUQIDFLWQYMJ-CYBMUJFWSA-N 389.546 3.912 30 40 GHEB Cc1nc(N2CCC(COc3cc(C#N)ccn3)CC2)c(C#N)c(C)c1Cl 1889124902 KOZLTPZMAYHLCO-UHFFFAOYSA-N 381.867 3.786 30 40 GHEB CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 4585823 ZVJGSUVHWOFHSQ-UHFFFAOYSA-N 388.514 3.935 30 40 GHEB CC(C)Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCCC2 20588953 YIWADHRZTZMZFP-UHFFFAOYSA-N 392.503 3.586 30 40 GHEB N#Cc1ccccc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 32852828 PLFNIRLFLXEMNK-INIZCTEOSA-N 377.425 3.969 30 40 GHEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccco1 104327417 YOBIWSDXBPHJJX-HEHNFIMWSA-N 382.217 3.887 30 40 GHEB COc1cc(/C=N/Nc2ccccn2)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 6571199 LQPIFUSNJRHUEL-SNDWWJHWSA-N 396.491 3.705 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)nc1 111458988 KZVWSOZXGPYADM-NHDPSOOVSA-N 393.359 3.923 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)cc2)cc1 4618465 CCIDWYOPTCCWDO-SCLBCKFNSA-N 385.847 3.608 30 40 GHEB COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 6824573 ORHRTHDQAXPMOF-NSHDSACASA-N 385.514 3.880 30 40 GHEB C=CCN1C(=O)/C(=C/c2c(O[C@@H](C)CC)ccc3ccccc23)C(=O)NC1=S 408903002 UCIPPCPEUBFRIZ-RAOBZKRQSA-N 394.496 3.830 30 40 GHEB COc1cc2c(cc1/C=C1/SC(=Nc3ccc(C)c(C)c3)NC1=O)OCO2 409105896 JRJLRBACZBDHSX-QGMBQPNBSA-N 382.441 3.932 30 40 GHEB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4cccc(C#N)c4)cc3c2C1 32945366 YTXDTDHYODQLKO-CQSZACIVSA-N 387.439 3.960 30 40 GHEB C#CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OC)c1 226326205 ITNLTHRTFSXGPN-UHFFFAOYSA-N 375.218 3.827 30 40 GHEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268783 XWBXTMUWNZVARS-UHFFFAOYSA-N 381.794 3.813 30 40 GHEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(O)cc2)n2ncc(C#N)c2N1 101475410 NVWINEBHAZTZIR-HXUWFJFHSA-N 385.427 3.696 30 40 GHEB CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[nH]1 31773596 XSVMGHRUEIBGEN-CYBMUJFWSA-N 398.532 3.613 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 8959565 NOLYKMUQTNTEAP-UHFFFAOYSA-N 382.435 3.945 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cc(F)ccc1Br 48368262 TYTYHSKVMQZMLN-NSHDSACASA-N 377.213 3.544 30 40 GHEB CCOc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 6047944 JJRQWMJYBCNBHB-LDADJPATSA-N 397.294 3.550 30 40 GHEB C=CCn1c(CCCC)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 408560667 NAVNNYUKJLYSRD-UHFFFAOYSA-N 388.581 3.984 30 40 GHEB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)o2)c1 5294145 FQWSDRNKNCSPAW-CQSZACIVSA-N 394.456 3.948 30 40 GHEB COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 6786120 IITGUDOVGHXTIW-INIZCTEOSA-N 375.808 3.548 30 40 GHEB C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 4836862 YPZWEKVYJWDTLE-GHRIWEEISA-N 385.261 3.522 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc2ccccc12 7718428 ZDPCHSINNJFMFS-MRXNPFEDSA-N 387.439 3.576 30 40 GHEB CCCCn1c(N)c2c(=O)n(CCCC)c(-c3ccccc3)cc2c(C#N)c1=O 68754910 NAKUKKFGBMWFAK-UHFFFAOYSA-N 390.487 3.884 30 40 GHEB C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)NC1(C#N)CCCCC1 8429168 VUHNZKJDWYLLMS-YOEHRIQHSA-N 381.505 3.885 30 40 GHEB N#Cc1c(/C=C/c2cccs2)c(C(=O)O)nn(-c2ccc(Cl)cc2)c1=O 409206302 UBNWMCIWWIILIT-BQYQJAHWSA-N 383.816 3.688 30 40 GHEB COc1ccccc1OCc1nc(SCc2ccc(F)cc2)nc(N)c1C#N 223691405 VNEDVPRZQNEUEP-UHFFFAOYSA-N 396.447 3.949 30 40 GHEB Cn1nc(-c2ccccc2)c(C(=O)/C=C\c2ccccc2)c(N2CCCC2)c1=O 5892299 OQUPRCDCDJVFDC-PFONDFGASA-N 385.467 3.944 30 40 GHEB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119686 HKFHDFKHCGJWTL-YPUOHESYSA-N 380.288 3.753 30 40 GHEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccco2)s1 13690577 XKDFFXHUNXBKDA-ZDUSSCGKSA-N 385.401 3.630 30 40 GHEB COCC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc[nH]1 103461317 LPMRJLZRFRQVFJ-QFFYBLEZSA-N 392.431 3.575 30 40 GHEB CCc1nn(-c2cc(Oc3ccc(C)c(C)c3)nc(SC)n2)c(N)c1C#N 632438 GLHHNAJSTCLWEZ-UHFFFAOYSA-N 380.477 3.810 30 40 GHEB N#Cc1c(CN2CCN(Cc3c(F)cccc3Cl)CC2)cn2ccccc12 23254280 ABSLKLUSDBIXBL-UHFFFAOYSA-N 382.870 3.921 30 40 GHEB CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 5860783 KUXFIAMHVIWREK-OAHLLOKOSA-N 396.516 3.866 30 40 GHEB N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccc(Cl)cc1 16400663 YASCGPMERQVYEQ-CQSZACIVSA-N 391.740 3.825 30 40 GHEB CCOC(=O)c1c(NC(=O)CSc2nc(C)ccc2C#N)sc(C)c1C 16683000 CFJMLGVSHFEBFF-UHFFFAOYSA-N 389.502 3.848 30 40 GHEB Cc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3nc(N)nn32)s1 18200634 QJPGUYLPQBGZTH-MGPLVRAMSA-N 383.502 3.707 30 40 GHEB COc1ccc2[nH]cc(C(=O)C3=Cc4cc(OC)c(OC)cc4CCN3C)c2c1 62001500 YLBVMEJIHJLHRD-UHFFFAOYSA-N 392.455 3.905 30 40 GHEB biogenic OCCN(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1 67191232 IGMDWLAMTIDLGJ-RUZDIDTESA-N 377.528 3.952 30 40 GHEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1OC 3309138 LYTILNGMVJGCBG-UHFFFAOYSA-N 393.472 3.576 30 40 GHEB C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1 4559373 ILKYFAMSEMAOOF-MRXNPFEDSA-N 384.863 3.574 30 40 GHEB C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2ccccc2c1=O 10093243 VLJKYMNQIYCEPP-BZUAXINKSA-N 385.533 3.568 30 40 GHEB N#C[C@H](/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1)c1ccccn1 5571961 KZIGGHDFOZBVHI-XFBWPPDYSA-N 379.416 3.706 30 40 GHEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408600601 DVMFDTOCQWEHNG-UHFFFAOYSA-N 375.222 3.655 30 40 GHEB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1C 20196891 COSVWCRWCMRNQG-UHFFFAOYSA-N 378.457 3.880 30 40 GHEB S=C(N/N=C\c1ccccc1I)Nc1ccccc1 408551263 MSJYUZXQRGJBSI-YBEGLDIGSA-N 381.242 3.612 30 40 GHEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 32071530 BUVYNQUXHHTGJR-OAHLLOKOSA-N 393.834 3.760 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H](C)OCC(C)C)c2)c1 40092039 GHOWUTIJSHZISX-KRWDZBQOSA-N 379.456 3.873 30 40 GHEB Cc1ccccc1Cn1cccc(C(=O)Nc2cc(Cl)ccc2C#N)c1=O 5269157 LCKQZXMRXOMMNV-UHFFFAOYSA-N 377.831 3.982 30 40 GHEB Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1cccs1 3364622 LWLANJXCOWUTAQ-UHFFFAOYSA-N 383.502 3.583 30 40 GHEB CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)S1 5457951 BLEAAZQWBTWUAV-GRSHGNNSSA-N 393.443 3.935 30 40 GHEB COC(=O)c1ccc(C)c(/N=C/c2ccc(O)c(I)c2)c1 408961132 AJJFSGTWXZTANP-GIJQJNRQSA-N 395.196 3.842 30 40 GHEB CCOc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cc1 408965989 YLAGZJOOOGGWNJ-JWZKOSBISA-N 399.428 3.933 30 40 GHEB O=[N+]([O-])c1ccc(N/N=C\c2cccn2-c2ccc(Br)cc2)nc1 32189103 PLEKPXADMCCCEG-ODLFYWEKSA-N 386.209 3.989 30 40 GHEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138149217 CUNGKBWAIPDNTC-DZGCQCFKSA-N 392.846 3.652 30 40 GHEB N#Cc1c(Cc2cccc(F)c2)nn(Cc2ccc(Br)cc2)c1N 225843451 UYYLYUVXLFDLBT-UHFFFAOYSA-N 385.240 3.878 30 40 GHEB CCc1ccc(S(=O)(=O)/N=C2\SC(C)(C)C(=O)N2c2ccccc2)cc1 102275365 AMKLRKCZXXSNEZ-ZZEZOPTASA-N 388.514 3.852 30 40 GHEB Cc1cc(C)c(OCC(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1 32945561 JQKJPRVQSVOVRS-UHFFFAOYSA-N 398.434 3.620 30 40 GHEB C=CCOc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OCC 2081034 QESVTSMSJUKKGL-BOPFTXTBSA-N 394.383 3.903 30 40 GHEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(N(C)C)cc1 4047984 XZVZNPUZRFPAIN-WSDLNYQXSA-N 378.436 3.909 30 40 GHEB CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(C)C)c(OC)c1)C2=O 4478784 LOACHHYDRHTVJM-ODLFYWEKSA-N 383.400 3.771 30 40 GHEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1C 5470756 XNIZYUPEFDTKJU-UHFFFAOYSA-N 386.433 3.571 30 40 GHEB COc1ccc(/C=N/Nc2ccccc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 4785970 HBKSRVAUKHJJIZ-CIAFOILYSA-N 379.420 3.911 30 40 GHEB C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CCOc1ccc(Cl)cc1 8532491 JEPYXVPYNMKHQG-MRXNPFEDSA-N 377.916 3.724 30 40 GHEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)c1 409131883 YVXMQIFXTYVMBU-UYRXBGFRSA-N 397.475 3.862 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 42399020 DGEPMMSRKBFIMS-HNNXBMFYSA-N 395.956 3.844 30 40 GHEB CCN(CC)c1ccc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)c(O)c1 2321187 XFZLAQRKKONWHG-BKUYFWCQSA-N 381.505 3.976 30 40 GHEB Cn1c(N/N=C/c2ccc(I)cc2)nc2ccccc21 7343381 TWICXTHAEZSVOL-LICLKQGHSA-N 376.201 3.624 30 40 GHEB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)OCC(F)(F)F)c1 32975223 CINUWOGALSGQOV-LBPRGKRZSA-N 399.390 3.546 30 40 GHEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N2c3ccccc3C[C@H]2C)c(Cl)c1 3314342 HMJFLXOIEYIRPQ-QHBIDGPYSA-N 399.878 3.876 30 40 GHEB C=CCn1c(C)cc(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1C 3317600 DAJHBLFNUABDDY-UHFFFAOYSA-N 380.469 3.836 30 40 GHEB CCN(CC)/C(=N\S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 4247688 BWCDMKKAJYQDFB-ZPHPHTNESA-N 395.868 3.726 30 40 GHEB O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c1 4878558 CVBMRBHBZOHUCX-REZTVBANSA-N 385.232 3.928 30 40 GHEB CCc1nnc(S)n1/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 5236546 HVXZQHICNPFMIY-CIAFOILYSA-N 382.489 3.907 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)c1ccc(CNC(=O)C(C)(C)C)s1 6851100 LKVYSDFQSOSURP-UHFFFAOYSA-N 386.473 3.552 30 40 GHEB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sccc1C#N 8177115 AMIUCHAZMPJUIG-VIFPVBQESA-N 391.503 3.796 30 40 GHEB CCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O 9058682 DCWQXSCBTYXNME-NVNXTCNLSA-N 396.472 3.966 30 40 GHEB CCSc1ccc(CC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 9596805 JNFZTOARAKJABN-UHFFFAOYSA-N 399.541 3.818 30 40 GHEB CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)OCCO2 11092791 DRPXGGHMOHKAEJ-YCRPNKLZSA-N 379.460 3.643 30 40 GHEB OC1=Nc2cc3c(cc2/C1=N\NCc1ccc(Cl)cc1Cl)OCCO3 36398205 HEINGHDJOVDHDL-UHFFFAOYSA-N 378.215 3.860 30 40 GHEB N#Cc1ccc(N2CCCN(C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 51371295 ZTGOXWKHMOLPIG-FQEVSTJZSA-N 389.421 3.823 30 40 GHEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 169879335 BRRDQAUVKJUKIN-RQZCQDPDSA-N 380.198 3.821 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)O[C@H](C)CC)C1=O 408536088 YAQQUNGAQALIIU-YYTPVVGHSA-N 375.446 3.629 30 40 GHEB COc1ccc(/C=N/NC(N)=S)cc1OCc1ccc(Cl)cc1Cl 408896962 PHABUIDTKOSWAY-DNTJNYDQSA-N 384.288 3.748 30 40 GHEB C[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)c1cccc(C(=O)c2ccccc2)c1 2171432774 NSYOSKFTKGXFLJ-OAHLLOKOSA-N 399.402 3.776 30 40 GHEB CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@@H]2c1ccc2c(c1)OCO2 1035436 STUQZPZJWJHGNX-CQSZACIVSA-N 397.456 3.774 30 40 GHEB COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 5123723 RDYNZHWENKMWOI-UHFFFAOYSA-N 398.202 3.582 30 40 GHEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 6565621 ZXLAEFLFTGZFIN-WMLDXEAASA-N 387.819 3.690 30 40 GHEB Cc1csc([C@H](C#N)C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)n1 6606686 KTUCQRNQSIINTD-SECBINFHSA-N 398.300 3.770 30 40 GHEB COc1cc(OC)c(/C=N/NCc2ccccc2OC)cc1Br 20762005 OQJUEAQORDYASX-RGVLZGJSSA-N 379.254 3.599 30 40 GHEB C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(-c2ccccc2)c[nH]1 58159491 BIPZBXLCYNCZAA-GFCCVEGCSA-N 386.864 3.641 30 40 GHEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc(OC)c1OCC(=O)O 59678565 JNYFQNYOKATTSO-SRZZPIQSSA-N 384.388 3.854 30 40 GHEB C#CC[C@@H](NC(=O)c1csc(I)c1)c1ccccc1 89261535 FGELFWKEWSISNZ-CYBMUJFWSA-N 381.238 3.847 30 40 GHEB CCOC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1 408750101 KLFRPRPXDQRCBX-MTJSOVHGSA-N 380.360 3.873 30 40 GHEB C#CCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 408916248 ADUBOUQDLUWTKQ-CPNJWEJPSA-N 379.437 3.944 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1C1CC1 21177219 BDIJLWJTFJXQRB-UHFFFAOYSA-N 385.518 3.688 30 40 GHEB CCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](C)CC1=O)N2 22608502 SVSOUUCYNXOCNH-MGPLVRAMSA-N 385.449 3.566 30 40 GHEB CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(C)nn2CCC#N 3306608 WMZSDCUMZBXUSV-UHFFFAOYSA-N 393.403 3.714 30 40 GHEB Cc1ccccc1-n1cnnc1SCC(=O)N(CCC#N)c1ccccc1 4501163 BNVKIMBQKIHBDL-UHFFFAOYSA-N 377.473 3.615 30 40 GHEB C=CCn1c(SCCC(N)=O)nc2sc(-c3ccccc3)c(C)c2c1=O 7207215 ORHNBJWIDUVYJC-UHFFFAOYSA-N 385.514 3.587 30 40 GHEB O=C(/C=C/c1cccnc1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 7621535 MDOHEXHEZZFDSC-LFYBBSHMSA-N 396.443 3.595 30 40 GHEB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)N(C)C1=S 409041643 AXSXWZIVHYDOKQ-YVLHZVERSA-N 397.887 3.820 30 40 GHEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 60475143 DEDYJYPVTMTKQQ-MOPGFXCFSA-N 391.515 3.874 30 40 GHEB C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 14711960 TXYNHDJAHZEAGN-CYBMUJFWSA-N 390.892 3.730 30 40 GHEB CN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 101062519 UVQPCBQTNGGDBC-IDTYTIONSA-N 390.208 3.640 30 40 GHEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cc1 100765417 NIRVHYAZVWONFP-PMACEKPBSA-N 377.484 3.722 30 40 GHEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)no1 102535907 PZMMAVUUIWHKSZ-HVESIFNPSA-N 395.802 3.658 30 40 GHEB N#Cc1c(NCCNC(=O)c2ccco2)nc(-c2ccccc2)c2c1CCCC2 13756563 NCLUQBULVKXQMM-UHFFFAOYSA-N 386.455 3.934 30 40 GHEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1 7188193 XUVKAZNSDJIFKY-CQSZACIVSA-N 394.500 3.815 30 40 GHEB Cc1ccc(Cn2c(C#N)cc(N)c2N2CCN(c3ccc(F)cc3)CC2)cc1 225870940 KYLPTQAWLLKBSQ-UHFFFAOYSA-N 389.478 3.764 30 40 GHEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)O)[C@H](C)CC)C1=O 5373762 UAEKGQDACOCAPD-MLMWJPRUSA-N 391.514 3.952 30 40 GHEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)s1 102801330 MVXREOWYHZVVPE-UYTDBDHRSA-N 395.415 3.612 30 40 GHEB COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1C[C@@H]1CCCO1 8838351 BYADVRHRLDWRHH-SCLBCKFNSA-N 399.468 3.514 30 40 GHEB CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)cc1 13350474 PUOQZLYXHARWLI-XYOKQWHBSA-N 383.444 3.901 30 40 GHEB N#Cc1c(SCC(=O)Nc2nccs2)nc(N2CCCC2)c2c1CCCC2 20573301 XIZIJFHFTWRBTC-UHFFFAOYSA-N 399.545 3.620 30 40 GHEB N#Cc1c(COC(=O)C2(c3cccc(F)c3)CCOCC2)cn2ccccc12 64187818 IHGUMZNCUCGQSH-UHFFFAOYSA-N 378.403 3.742 30 40 GHEB COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 67109132 WBQRACRLHVNTJF-HZPDHXFCSA-N 390.361 3.637 30 40 GHEB CCOC(=O)/C(=C\NC(=S)Nc1ccc(OCC)cc1)C(=O)c1ccccc1 102941571 WPRZMWMQQSWAOA-JXAWBTAJSA-N 398.484 3.702 30 40 GHEB COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)O 409019122 YEKHNNIIKOTKGZ-XPAGJJBOSA-N 378.768 3.859 30 40 GHEB COc1cccc(/C=N/c2cc(C(=O)O)ccc2Cl)c1O[C@H](C)C(=O)O 409239797 FEPKWQTZZNRYQG-KTMXNEEYSA-N 377.780 3.649 30 40 GHEB CC(=O)c1cccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59248251 QOJYIHREDUPVOA-YBFXNURJSA-N 377.238 3.832 30 40 GHEB N#C[C@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCCCC1 2317817 ZFOUKKYDGYOXFW-IBGZPJMESA-N 399.498 3.934 30 40 GHEB C=CCN(CC=C)[C@@H](CNc1ccc2nnc(-c3ccccc3)n2n1)C(C)C 59577630 WLSMVBASAWMBJW-IBGZPJMESA-N 376.508 3.902 30 40 GHEB Cc1nc(SCC(=O)Nc2[nH]c(Cc3ccccc3)c(C)c2C#N)[nH]c1C 12372020 SEMSUSQSXJZQLD-UHFFFAOYSA-N 379.489 3.856 30 40 GHEB C=CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 3469668 UWAXWVLOWBCEGE-UHFFFAOYSA-N 386.427 3.607 30 40 GHEB CC[C@@]1(C)NC(=O)N(/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1=O 3528413 ZCXCDVGTBFUPHT-BSNPHMGVSA-N 394.262 3.542 30 40 GHEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)c1 6668084 LXQGCCVMLLCCCA-LJQANCHMSA-N 399.443 3.682 30 40 GHEB C=CCn1c(SCC(=O)OCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 4784891 OBJBBMIPPCTARW-UHFFFAOYSA-N 384.501 3.585 30 40 GHEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(C#N)c3)c2)c1 12880689 TVCCAJKZKNNEBW-UHFFFAOYSA-N 380.403 3.997 30 40 GHEB COc1ccc(OC)c(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 18159026 QFAGOCPDRRQSJK-CIAFOILYSA-N 395.455 3.741 30 40 GHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 4573031 ZBBCKETUHHUOEP-WXVFVKJXSA-N 383.473 3.675 30 40 GHEB C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc(C)c1 3544309 ODEKBOLJFWZIIE-UHFFFAOYSA-N 392.528 3.891 30 40 GHEB C=CCn1c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)nc2ccccc21 10237923 AXRABMGJDAKVKZ-IBGZPJMESA-N 393.512 3.631 30 40 GHEB Cc1c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cccc1[N+](=O)[O-] 2629502 CCROTNCCZXEMML-NDENLUEZSA-N 394.427 3.941 30 40 GHEB C=CCSc1nnc2n(-c3cc(C)ccc3OC)c(=O)c3ccccc3n12 5231215 APUUWXKCHVAWDI-UHFFFAOYSA-N 378.457 3.629 30 40 GHEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)cc2F)cc1 6820351 OKSAQYKNQBJYKH-CXAGYDPISA-N 383.394 3.978 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(O)c1 4186897 ACTWUIQIPUOVDZ-GCKAQTDUSA-N 378.428 3.623 30 40 GHEB C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCCOC)=C1C 7551016 IZPUKXNSSYVVTG-INIZCTEOSA-N 399.274 3.709 30 40 GHEB Cc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3nc(N)nn32)s1 18200632 QJPGUYLPQBGZTH-HWPZZCPQSA-N 383.502 3.707 30 40 GHEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@@]21C 4783156 PFQNFOUXMWTIHZ-MWTXUKJESA-N 395.337 3.966 30 40 GHEB biogenic,in-vitro C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2cccc(F)c2)C=C1C 30881458 AVKZYNKVOKYOIB-ZJOUEHCJSA-N 384.495 3.550 30 40 GHEB biogenic,in-vitro O=C(NC(=S)/N=C1/NCCS1)c1sc2cc(Cl)ccc2c1Cl 33649580 XVBCVNGWUCNYPU-UHFFFAOYSA-N 390.342 3.915 30 40 GHEB O=C1N[C@H](c2ccc(Cl)cc2)C(C(=O)c2ccc(Br)cc2)=C1O 18101314 OUHJTUCTHFZAKE-CQSZACIVSA-N 392.636 3.968 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 100455264 ZRVAEFGZESTGQL-YDJIHCHBSA-N 379.456 3.878 30 40 GHEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102489056 VMZFGBJOFWJYEB-ASBLKLPYSA-N 383.469 3.657 30 40 GHEB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 2621686 WVWSYRLXKJYVAU-UHFFFAOYSA-N 391.452 3.636 30 40 GHEB C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1cccc(C#N)c1 6220150 APKMNHVJUNESAE-KRWDZBQOSA-N 399.450 3.894 30 40 GHEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-n2cnnn2)c1 6879860 IIFQIDTYTUCSBN-UHFFFAOYSA-N 398.451 3.937 30 40 GHEB Cc1nc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)c(C#N)c(C)c1C 6980717 HBMBLVLWBSCHBZ-IBGZPJMESA-N 381.501 3.571 30 40 GHEB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)c(C)c2c1 7737771 NVOPRPBBLVBHHB-AWEZNQCLSA-N 384.432 3.638 30 40 GHEB COc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1OC 39436323 BDKDOZYQTLSNGZ-LNVKXUELSA-N 379.460 3.615 30 40 GHEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1 102856746 NVBBBNDSYHWJAH-NHFXJNLRSA-N 396.462 3.508 30 40 GHEB N#CCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408750680 QFYPOLKPEGJMKF-NEPJUHHUSA-N 375.475 3.741 30 40 GHEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(O)ccc1[N+](=O)[O-] 409299028 PELLYMHFCOEOFG-UHFFFAOYSA-N 392.415 3.940 30 40 GHEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Br)cc1 4126023 AXSOTFFRJJXBOC-HNNXBMFYSA-N 376.206 3.527 30 40 GHEB Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1 4848999 QYQVVOKEWKSKMC-UHFFFAOYSA-N 391.452 3.552 30 40 GHEB Cc1c(/C=N/c2ccc3c(c2)COC3=O)c(O)n2c(nc3ccccc32)c1C#N 5387174 KWYAMRXNRGMJIC-YSURURNPSA-N 382.379 3.794 30 40 GHEB N#Cc1ccc(COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 8630131 MAVIWRFWPJPQHJ-UHFFFAOYSA-N 384.844 3.900 30 40 GHEB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 12905706 JQEVVKMGVUEIGP-UHFFFAOYSA-N 388.446 3.512 30 40 GHEB N#Cc1c(-c2ccccc2)nc2n(c1=O)CN(c1cccc(Cl)c1)CS2 13726497 XMWKRIFNJZCVJM-UHFFFAOYSA-N 380.860 3.963 30 40 GHEB COc1ccc(-c2c[n+](CC(=O)Nc3cccc(Cl)c3C)c3n2CCC3)cc1 13759391 KPENERZLFATJJL-UHFFFAOYSA-O 396.898 3.998 30 40 GHEB CCCOC(=O)c1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1 31773916 FDBTZPHLVCNZSM-UHFFFAOYSA-N 395.440 3.761 30 40 GHEB Cc1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)c(C#N)c1C 36619424 FCBROSSRAUYMOZ-UHFFFAOYSA-N 392.419 3.733 30 40 GHEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 100973549 RAQQIDWQCMOBRE-CAUPHXMNSA-N 386.498 3.676 30 40 GHEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 222248818 KNCBQTFWQZHXCK-UZNBVIRKSA-N 398.462 3.653 30 40 GHEB COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCc1cccc(C)c1 409337958 AGVNNGODSLVZFZ-KEBDBYFISA-N 386.498 3.777 30 40 GHEB N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 7981009 HNAGZXNJURIXKC-UHFFFAOYSA-N 380.454 3.735 30 40 GHEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] 104255065 WCZSKBWNQBMSPV-LZYBPNLTSA-N 379.716 3.901 30 40 GHEB O=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccc(O)c(O)c2)c1Cl 13352633 UICUOOHGEAQBGH-HAVNEIBRSA-N 376.583 3.597 30 40 GHEB O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 6240258 NNIZGSHJPOCKCH-GRSHGNNSSA-N 397.383 3.605 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Br)cc(OCC)c2O)C(=O)N1CC 17167577 XYLUMLOMMUWRGT-XBLVXMFCSA-N 399.310 3.866 30 40 GHEB Cc1cc(C)c(C#N)c(SCc2nnnn2-c2cccc(C(F)(F)F)c2)n1 27588829 GEGLTJAMFXRDGZ-UHFFFAOYSA-N 390.394 3.857 30 40 GHEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 35031558 FEACBXQMCWENHN-GBESFXJTSA-N 377.598 3.733 30 40 GHEB N/C(Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1)=N\O 219034153 WTBWWORPKLHGQW-UHFFFAOYSA-N 388.427 3.732 30 40 GHEB C=CCSc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 224743183 SYZREVBPGJHDAZ-UHFFFAOYSA-N 382.529 3.727 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)cc1OC 5408180 STCDDMRRIPPWGY-IBGZPJMESA-N 381.428 3.693 30 40 GHEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccc(C)c1 16960126 OZEJASWUVVNAIB-UHFFFAOYSA-N 377.473 3.876 30 40 GHEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc1O2 12365579 SRPPWEKQBOWFQF-HSZRJFAPSA-N 377.488 3.527 30 40 GHEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)/N=C1/N=C2C=CC=CN2Cc2ccccc21 3164362 ZPWAGQTUTIZFKH-IZYVAKMGSA-N 384.395 3.879 30 40 GHEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1 104182169 VDVGBRLVYCTSPD-GHNGSUTGSA-N 376.437 3.765 30 40 GHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(C(F)(F)F)c1 808941 QCIVFYGVADKHGX-OAHLLOKOSA-N 395.377 3.948 30 40 GHEB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C=O)(c4ccccc43)[C@@H]2C1=O 852715 PBIOYGUVAXOEOW-ZQFKLAOWSA-N 393.442 3.745 30 40 GHEB biogenic Fc1ccc(/C=N/n2c(C(F)(F)F)nn(CN3CCCCC3)c2=S)cc1 1102060 DHLXZDMNQXVBNA-UFFVCSGVSA-N 387.406 3.898 30 40 GHEB CCN1C(C(=O)c2ccccc2)=C(N2CCCCC2)c2ccccc2S1(=O)=O 1408595 YUSXHJQXLIFSGO-UHFFFAOYSA-N 396.512 3.748 30 40 GHEB C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC 5016777 YLQUURIQICFNEU-MHWRWJLKSA-N 385.778 3.844 30 40 GHEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(OC)c1OC 7350091 RFGNQRAXNKHFJP-MDZDMXLPSA-N 381.428 3.735 30 40 GHEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)NC1=S 12362906 BGDFXXKUYPRLJD-UNOMPAQXSA-N 393.512 3.524 30 40 GHEB COc1cc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O 31904624 BJGFUBDYLKHDIC-NVMNQCDNSA-N 388.474 3.990 30 40 GHEB COCCCCN1C(=O)[C@@H](Oc2ccc(C)cc2C)[C@@H]1c1ccc(C#N)cc1 58157178 PBCORXPKOBXWSJ-VXKWHMMOSA-N 378.472 3.933 30 40 GHEB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 96055627 VMNBOFPRQIBXGW-LABLSJRYSA-N 397.422 3.534 30 40 GHEB CC/N=C1\S/C(=C\c2cc(Br)c(O)c(OCC)c2)C(=O)N1CC 408857484 ONRNFUIJKWJVCN-FMPUCSDASA-N 399.310 3.866 30 40 GHEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N(CC)CC)c3ccccc23)C1=O 409136001 VSJRVFMRGVNCHB-PDGQHHTCSA-N 397.500 3.732 30 40 GHEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)c1 575612211 JJLIOQPCQOSMDH-INIZCTEOSA-N 392.484 3.597 30 40 GHEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1COc1ccc([N+](=O)[O-])cc1 2793239 BMIHIUPMIPCTGY-VXLYETTFSA-N 399.432 3.627 30 40 GHEB COc1ccc(CCNc2nc(SCC#N)nc3ccccc23)cc1OC 2948753 AWUWMQFRQHJSKL-UHFFFAOYSA-N 380.473 3.917 30 40 GHEB CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cc1 4412222 YQEWPIRPFSEQCR-GOSISDBHSA-N 383.521 3.868 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cccc(Cl)c21 4478654 DHEIVYHFFZJENE-VZCXRCSSSA-N 384.844 3.502 30 40 GHEB N#Cc1nc(-c2ccc(F)cc2)oc1NC[C@H](c1cccs1)N1CCOCC1 27794217 BSMPPQZYRSVZEE-QGZVFWFLSA-N 398.463 3.899 30 40 GHEB COc1ccccc1OCC#CCNC(=O)COc1ccc(Cl)cc1Cl 90610369 FPDHJUIXXPXBDK-UHFFFAOYSA-N 394.254 3.579 30 40 GHEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 100199219 KNCBQTFWQZHXCK-XASVGKGHSA-N 398.462 3.653 30 40 GHEB C[C@@H](CCc1ccccc1)NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 3328863 TYBRQKIIAKPSPD-LUILSVGHSA-N 376.403 3.776 30 40 GHEB C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 12886657 IXWWBLXXYREFON-HNNXBMFYSA-N 399.443 3.836 30 40 GHEB N#CC1(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)CCCC1 5184538 HSXCONSTOOWYDV-UHFFFAOYSA-N 380.517 3.796 30 40 GHEB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2C#N)c(C)c1 5415079 WXPLVHIPNZXJIA-UHFFFAOYSA-N 398.879 3.535 30 40 GHEB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\O)cc1C 409268604 WMFMMLMTMCKJMJ-OCKHKDLRSA-N 377.238 3.892 30 40 GHEB C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCOCC2)cc1 225838276 QJQFPMLZHMEJDF-INIZCTEOSA-N 380.517 3.637 30 40 GHEB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 69023836 CUROZEOHDPQVCC-QGZVFWFLSA-N 392.488 3.929 30 40 GHEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cc(F)cc(F)c1 18222041 RQLLVSNAMTWVIM-JKYUHCHBSA-N 384.308 3.843 30 40 GHEB C#CCOc1ccc(CN2CCN(Cc3ccccc3F)C[C@H]2C)cc1OC 19574554 GJIXZAHCBYYRSN-GOSISDBHSA-N 382.479 3.553 30 40 GHEB N=C(/N=C/c1cc([N+](=O)[O-])ccc1O)SC[C@H]1CCCN2CCCC[C@H]12 8295273 WLHXYODDKCAAPL-TUNONYLKSA-N 376.482 3.652 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccc1OC 6378615 RAHFUGWOSHVTLK-GLEDVZQVSA-N 395.484 3.842 30 40 GHEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3cccc(C)c3)ccc21 8958808 RQYDDZSKESWDFP-UHFFFAOYSA-N 394.471 3.950 30 40 GHEB N#Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 27920871 SCZNOSQYQKBQNZ-UHFFFAOYSA-N 381.233 3.818 30 40 GHEB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)c3C#N)c2C)cc1 48264768 YBYUZPLRZQXPNH-UHFFFAOYSA-N 391.500 3.809 30 40 GHEB C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 20673481 VQDSTJKHNLEHKK-QHCPKHFHSA-N 385.423 3.733 30 40 GHEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 5129751 LSRGRERCKUKZSH-QGZVFWFLSA-N 377.469 3.739 30 40 GHEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C)cc1 6785163 NKQQZEZZBUQPIN-LFVOPCPISA-N 398.528 3.820 30 40 GHEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(Br)cc2F)c1C 33664564 LMJMCYBXAZAZGJ-AWQFTUOYSA-N 397.317 3.814 30 40 GHEB O/C(Cn1ccc2c(Br)cccc21)=N\c1nc([C@@H]2CCCO2)n[nH]1 95477401 LEHQQBWQMFYLSC-ZDUSSCGKSA-N 390.241 3.662 30 40 GHEB C/C(=N/OC[C@H](O)CNCCSCc1ccccc1)c1ccccc1Cl 5566162 OWCXOARYKZIWND-MPGAHLTBSA-N 392.952 3.965 30 40 GHEB CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C(=O)O)cc1 100215266 FNAUMHNLIMHIFH-WIQPNEMMSA-N 381.457 3.685 30 40 GHEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102489049 VMZFGBJOFWJYEB-SASZOBLLSA-N 383.469 3.657 30 40 GHEB CCOc1cc(C#N)c(NC(=O)c2ccc(Br)o2)cc1OCC 1076818 OKILBDKVLYIRLE-UHFFFAOYSA-N 379.210 3.963 30 40 GHEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccccc1F 2638852 BWYALPRONFEYDI-UHFFFAOYSA-N 396.491 3.987 30 40 GHEB CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1 4518257 DJIGVBKGOQNBTK-UHFFFAOYSA-N 390.468 3.802 30 40 GHEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc2ccccc12 4944640 HUWDYNMSDGDONM-INIZCTEOSA-N 377.469 3.686 30 40 GHEB COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(C)C)c1 5444133 HRGOEOAYXZCBQF-FQEVSTJZSA-N 395.455 3.938 30 40 GHEB CCCCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 5584977 CWHAGELDUGBIJJ-JQFUVSSDSA-N 383.400 3.804 30 40 GHEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2nccs2)c1 6510631 DVTYPAIWRHRFMD-UHFFFAOYSA-N 394.481 3.998 30 40 GHEB C=CCn1c(SCC(=O)NC[C@H](C)c2ccccc2)nnc1-c1cccnc1 8472143 VBTYNCWDELUQSN-INIZCTEOSA-N 393.516 3.538 30 40 GHEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc1N 18191102 DYOVWKKZSNFEEB-UHFFFAOYSA-N 385.452 3.805 30 40 GHEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)COC)cc1 218502669 GEVNDJDNWWVQHI-VAMGGRTRSA-N 389.904 3.998 30 40 GHEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O 409378870 SUUZQKKZNSEJON-NVMNQCDNSA-N 388.404 3.901 30 40 GHEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1531383786 BESUZSOBNMNFIW-LPYMAVHISA-N 386.367 3.560 30 40 GHEB COc1cc([C@@H]2C(C(C)=O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1591348 BNPBTCRKVWFLHV-NRFANRHFSA-N 398.411 3.828 30 40 GHEB C=C(C)CSc1nc2ccc(I)cc2c(=O)n1CC 2230384 JLSSXZOSNGZGQI-UHFFFAOYSA-N 386.258 3.689 30 40 GHEB Cn1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c2ccccc2c1=O 3354010 APGGNOSLAQMVLH-UHFFFAOYSA-N 381.391 3.691 30 40 GHEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(F)cc1 4996603 OTWMTGNQBHHLJV-XAIYEJPOSA-N 375.400 3.555 30 40 GHEB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1 5294569 SUYDPVZHRFPCOR-UHFFFAOYSA-N 380.429 3.560 30 40 GHEB Cc1ccc/c(=N\C(NC(=O)c2cccc(F)c2)(C(F)(F)F)C(F)(F)F)[nH]1 6089052 QTCWVRSANLPEFL-UHFFFAOYSA-N 395.278 3.614 30 40 GHEB N#Cc1c(NC(=O)CCn2c(=O)sc3ccccc32)sc2c1CCCC2 6662533 LPECGNFWBWWSCN-UHFFFAOYSA-N 383.498 3.904 30 40 GHEB C[C@](C#N)(NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1)C1CC1 22356357 OPIVNBXLRYXIPM-GOSISDBHSA-N 380.414 3.526 30 40 GHEB CCOc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 22608216 CIMVCQPWGHAUSD-HWPZZCPQSA-N 392.381 3.964 30 40 GHEB COc1ccc(-c2csc(N/C=C3\C(=O)Oc4ccccc4C3=O)n2)cc1 44827536 HDCNUZKENKGZEZ-GDNBJRDFSA-N 378.409 3.916 30 40 GHEB C[C@]1(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CCCc2ccccc21 79067084 PBQQWKKXKSGSPK-DEOSSOPVSA-N 389.499 3.752 30 40 GHEB C=CCN1C(=O)[C@@H](CC(=O)c2ccc(F)cc2)S/C1=N/N=C/c1ccccc1 100971854 KIKVYMBUTJKSDT-GSGORFQQSA-N 395.459 3.919 30 40 GHEB CC[C@H](C)c1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)cc1 101579201 VKVUWSGPILZGMY-WQEJZQBCSA-N 393.443 3.504 30 40 GHEB CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1c1ccnc(C#N)n1 1651685214 CUMNVEMQUZZLTB-MRXNPFEDSA-N 375.398 3.862 30 40 GHEB CCCNC(=O)c1c(/N=C/c2ccccc2OCc2ccccc2)cnn1C 2798035 UGJOLCMKQFSQQN-ZVHZXABRSA-N 376.460 3.890 30 40 GHEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 4173421 QYOCJCMKEMCWFL-UHFFFAOYSA-N 392.427 3.580 30 40 GHEB C/N=C1/S/C(=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)N1C 4679343 JZIPSTWSXZWTJW-NOQVSKCTSA-N 395.484 3.544 30 40 GHEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Br)c(Br)o1 6898494 AQSCXCPDYGUAGZ-LHHJGKSTSA-N 389.991 3.554 30 40 GHEB C=CCc1cccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1O 12344742 QQDVDQUFXWDKHR-UHFFFAOYSA-N 382.479 3.887 30 40 GHEB COc1cc(/C=N/N=c2/[nH]c(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O 13656183 NOPSQMHJHUYRKN-SRZZPIQSSA-N 396.472 3.659 30 40 GHEB C=CCN1C(=O)/C(=C\c2cccc(I)c2)SC1=S 17163297 CWDGVNNXFMOXQJ-DHZHZOJOSA-N 387.267 3.678 30 40 GHEB N#Cc1cccc(C(=O)OCc2cc(=O)oc3cc(Br)ccc23)c1 22556285 SGIXCSFUJWODRI-UHFFFAOYSA-N 384.185 3.784 30 40 GHEB C#CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)S(=O)(=O)c1ccccc1 48365687 VDLWXGIKOIVAPT-UHFFFAOYSA-N 396.493 3.583 30 40 GHEB CCOC(=O)c1cccc(/N=C\c2ccc(O)c(I)c2)c1 408903874 ARIZFBADDFSEKU-ZDLGFXPLSA-N 395.196 3.924 30 40 GHEB COc1ccccc1NC(=O)Cc1noc(C2(c3cccc(C#N)c3)CCC2)n1 952994637 AVAJUVZJHBUGEX-UHFFFAOYSA-N 388.427 3.601 30 40 GHEB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=S)NCc3ccco3)o2)cc1 7785480 GKELUCARRHUEMC-LPYMAVHISA-N 397.456 3.715 30 40 GHEB Cc1nnc(SCc2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 59489965 ANQMNONZGGIPCO-UDWIEESQSA-N 396.476 3.735 30 40 GHEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCc4ccccc4C3)C(=O)O[C@@H]1C2 4028451 QRQMVOJVQOCKSG-MUWCXKAGSA-N 381.516 3.572 30 40 GHEB biogenic CCOc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c1 9484280 UTDGHXBPGAOJIU-JLTOFOAXSA-N 376.416 3.686 30 40 GHEB Cc1nn(-c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2)c(C)c1Br 65521658 RSABQHQRDJNKJN-UHFFFAOYSA-N 387.281 3.770 30 40 GHEB N#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 5752833 MFCXBKYZTOZCHN-UHFFFAOYSA-N 379.441 3.556 30 40 GHEB Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1C 69610423 YZSDVCPWGBEAMN-CQSZACIVSA-N 379.485 3.717 30 40 GHEB C[C@H]1CN(C(=O)c2ccc(CNc3c(F)cc(C#N)cc3F)cc2)C[C@H](C)O1 60320168 SSLVLAVIFGQQIJ-KBPBESRZSA-N 385.414 3.698 30 40 GHEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 66091535 BFRIBZZQWBQSFB-KRWDZBQOSA-N 389.448 3.892 30 40 GHEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32507932 VCQYADFCGPPAJC-NNGLLJABSA-N 394.562 3.602 30 40 GHEB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(OC)c1O 3388158 OWHQNZOITMGCTG-RQZCQDPDSA-N 396.424 3.518 30 40 GHEB CC1=CC(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1ccc(Br)cc1 5247894 HLYOHKCUQWVUQA-OBGWFSINSA-N 382.279 3.690 30 40 GHEB N#CC1(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CCCCC1 5359683 KXIYJEKDQXSACU-UHFFFAOYSA-N 387.534 3.776 30 40 GHEB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 6050374 AHJKJDUJLQFCFW-SFHVURJKSA-N 386.835 3.868 30 40 GHEB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 649890 RAYKTLDTGAMCMG-VIFPVBQESA-N 382.411 3.907 30 40 GHEB C/C(=N\O[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1sc(C)nc1C 42115856 KNVLOBQHYGNGMR-UMYHVIPVSA-N 389.477 3.689 30 40 GHEB CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 662505 RGJUWTGMWNLJRG-MRXNPFEDSA-N 391.414 3.844 30 40 GHEB N#Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2478536 ALGCRGVDDRTVNG-BWWMBTDCSA-N 376.415 3.955 30 40 GHEB N#CCCN(C(=O)COc1ncnc2sc3c(c12)CCCC3)c1ccccc1 3303951 UXHJZFVXGNEKQI-UHFFFAOYSA-N 392.484 3.896 30 40 GHEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc21 4485607 ITLVBHYVLYOYER-UHFFFAOYSA-N 381.457 3.724 30 40 GHEB CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 8739378 DJWNRLYXKNIOQP-SFHVURJKSA-N 394.383 3.758 30 40 GHEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11181680 HXECGONFWVAFID-CQSZACIVSA-N 375.384 3.810 30 40 GHEB Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc1 19864083 WPHGEJVGYLCVCH-NRFANRHFSA-N 392.499 3.752 30 40 GHEB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccccc1C#N 21605972 KDXWOIMPTBZPLW-CQSZACIVSA-N 388.423 3.906 30 40 GHEB Cc1cc(/C=C/C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)n1C1CC1 23718545 OWCAXLYZCXCYJL-JXMROGBWSA-N 388.515 3.669 30 40 GHEB N#Cc1cccc(C(=O)N2CC[C@@]3(CCCN(CCOc4ccccc4)C3)C2)c1 96216373 QJAPXDHKMZZIHC-XMMPIXPASA-N 389.499 3.565 30 40 GHEB C[C@@H](NC(=O)Nc1cc(C#N)c(Br)cn1)c1ccc(F)c(F)c1 97164572 OYQOETYGRMOTCL-MRVPVSSYSA-N 381.180 3.877 30 40 GHEB N#CCc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 225820586 AOQYOEGKOYUFEM-UHFFFAOYSA-N 383.864 3.943 30 40 GHEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Br)c1OC 409089645 OLMBIQJUWWAEFS-GIJQJNRQSA-N 395.213 3.606 30 40 GHEB CC(C)c1ccc(OCc2nnc(SCc3ccccc3C#N)n2N)cc1 5231463 KEKOMHVGHRVZSB-UHFFFAOYSA-N 379.489 3.858 30 40 GHEB CC(C)n1cnnc1SCc1cc(=O)n2c(sc3ccccc32)c1C#N 7783504 UGVCVOPWVBOKQT-UHFFFAOYSA-N 381.486 3.851 30 40 GHEB Cc1cc(Br)ccc1NC(=O)CN(C)c1cccc(F)c1C#N 7902938 QNELKTZEVWZVGR-UHFFFAOYSA-N 376.229 3.843 30 40 GHEB CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C 8777195 ZDZXNCMOXSCRAK-OQRGYWNNSA-N 392.455 3.709 30 40 GHEB O=C1/C(=C/c2ccccc2O)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 9577270 WOSDLFYXINLMJT-RGEXLXHISA-N 391.448 3.821 30 40 GHEB CC(C)Nc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828635 HAKVIJAJVIRWNA-QGZVFWFLSA-N 384.436 3.628 30 40 GHEB N#Cc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 48745175 RLYYHSUDCHVNLA-UHFFFAOYSA-N 375.394 3.703 30 40 GHEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 50204651 SUQUXFYWSWSJRO-LSDHHAIUSA-N 393.848 3.560 30 40 GHEB Cc1cccnc1OCC1CCN(c2ncc(Br)cc2C#N)CC1 1889119390 IWLRPIAPUXTLFN-UHFFFAOYSA-N 387.281 3.715 30 40 GHEB Cc1csc([C@H](C#N)C(=O)COC(=O)COc2ccc(C(C)C)c(C)c2)n1 6607516 SQVHRNWEDXFNTN-QGZVFWFLSA-N 386.473 3.682 30 40 GHEB C[C@@H]1CCc2c(sc(NC(=O)Cn3c(=O)sc4ccccc43)c2C#N)C1 6662018 CLCGPFPCOSZDPV-LLVKDONJSA-N 383.498 3.760 30 40 GHEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 4061014 ADXRSXASQOCZDF-HXUWFJFHSA-N 383.488 3.789 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(C(=O)OCC)CC4)[C@H]3C[C@@H]12 4028588 DMLONNLDGVEKRB-DUXQTRJFSA-N 389.536 3.576 30 40 GHEB biogenic Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2SCC#N)cc1 8314659 KHJRGQQGLMRHKR-UHFFFAOYSA-N 396.468 3.756 30 40 GHEB O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F 18115192 OXDYMAMTDLXYLF-AWEZNQCLSA-N 393.390 3.953 30 40 GHEB C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC 408962993 WXSFBYLIYBCHKL-CPNJWEJPSA-N 394.452 3.607 30 40 GHEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223553798 HNVDFWWLEVTNLS-NRFANRHFSA-N 380.488 3.723 30 40 GHEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)cc1 225921047 YQRBRDCLUIMENU-UHFFFAOYSA-N 383.444 3.950 30 40 GHEB Cc1ccc(CN2CCC[C@@H]2c2cccc(N=c3[nH]cc(C#N)s3)n2)cn1 585293681 JSDXTMIKJWMQRJ-GOSISDBHSA-N 376.489 3.616 30 40 GHEB COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)cc1OC 2341717 XLWDNLAYNZMBRQ-PYUKZKILSA-N 383.473 3.558 30 40 GHEB COc1ccc(C(=O)/C(=C(\S)Nc2ccccc2)[n+]2cccc(CO)c2)cc1 6397988 VBOMICZYNCTMBV-UHFFFAOYSA-O 393.488 3.526 30 40 GHEB COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)C(=O)CC(C)(C)C2 1753492 PWAFHSHBVOFVNB-UHFFFAOYSA-N 395.484 3.848 30 40 GHEB O=c1cc(CO/N=C/c2ccccc2Cl)nc2ccc(Br)cn12 3447926 JZVBVGNVZNQAFA-UFWORHAWSA-N 392.640 3.661 30 40 GHEB N#C/C(=N\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1 4175442 VFGNJKQLTXOBJZ-LPYMAVHISA-N 393.384 3.787 30 40 GHEB CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 5009030 DZQSVHGCPHUKCU-CTPANLQCSA-N 386.908 3.570 30 40 GHEB N#Cc1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 12786491 FNWSOCPPBLYVNV-UHFFFAOYSA-N 377.444 3.670 30 40 GHEB CC1=C/C(=N\C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C(C)=CC1=O 16779794 BBWCLFLDVWGKCP-QSJAFLSSSA-N 378.453 3.738 30 40 GHEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1 19904221 ULYIIOXDBHUBCX-GOSISDBHSA-N 399.830 3.701 30 40 GHEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cnn(CC)c3C)nc21 20605496 DIYOEIHIGHWEQY-UHFFFAOYSA-N 395.410 3.851 30 40 GHEB O=C1C[C@@H](C(=O)N2CCCS/C2=N\c2ccccc2)CN1Cc1ccccc1 24764871 VDSWYOXCJUXMSB-LINNUKDLSA-N 393.512 3.688 30 40 GHEB COc1ccc(CNC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 35288636 HGCKLWTVQMLWJA-UHFFFAOYSA-N 377.469 3.832 30 40 GHEB Cc1ccc([C@@H]2C(C(=O)C3CC3)=C(O)C(=O)N2c2ccc(C(=O)O)cc2)c(C)c1 58306438 GMGWQLOWROJYPR-LJQANCHMSA-N 391.423 3.881 30 40 GHEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1O)c1cccs1 96336111 DGSQNXCKDUCNJV-AWEZNQCLSA-N 384.438 3.693 30 40 GHEB CCOc1ccc(C(=O)O)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408534992 WZGAOMSSQJEBNC-BOPFTXTBSA-N 382.441 3.984 30 40 GHEB N#Cc1cnc(N2CCC[C@H](c3c[nH]c4ncccc34)C2)c(Br)c1 1643060570 SZOZCPVJFOQFGC-ZDUSSCGKSA-N 382.265 3.976 30 40 GHEB N#Cc1nccnc1N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1889030184 DQCCAGGTSDYKTJ-UHFFFAOYSA-N 393.454 3.737 30 40 GHEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 888408 AESXIWMBDMYYJV-UHFFFAOYSA-N 376.825 3.863 30 40 GHEB Cc1ccc(O[C@]2(C(F)(F)F)C/C(=C\C(=O)c3ccccc3)NC2=O)cc1 12461722 VQDOSJHBEHYDCC-FERCGXDMSA-N 375.346 3.962 30 40 GHEB Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2c1 12995828 XCUPYCZPCAYZDR-UHFFFAOYSA-N 384.483 3.681 30 40 GHEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccc(F)cc1)n1ncnc1N2 9042416 GGZIOZHHWPZWLN-ZUOKHONESA-N 376.391 3.539 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)c4cccc(O)c4)[C@H]3C[C@@H]12 4026041 VUCLZXQOYVRHRE-NEZQKAMOSA-N 399.531 3.672 30 40 GHEB biogenic CCOC(=O)c1nc(N/N=C/c2ccc(OC)cc2)sc1Br 4321524 IKXLQAOZWHUTRK-LZYBPNLTSA-N 384.255 3.537 30 40 GHEB Cc1nn(CC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c(=O)c(C#N)c1C 7384746 XNTGPLYGYPMDIE-QGZVFWFLSA-N 388.471 3.642 30 40 GHEB Cc1nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)ccc1C#N 84028699 WHNIQVLAKLWWHN-FQEVSTJZSA-N 377.469 3.699 30 40 GHEB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 7784314 NDQHECTYVZQVAR-ZDUSSCGKSA-N 386.477 3.568 30 40 GHEB C/C=C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)/C(O)=C1/C(=O)N[C@H]([C@H](C)O)C1=O 253390428 AIFXMSDWXBFQTF-GOJQKSAOSA-N 399.531 3.624 30 40 GHEB biogenic,in-vitro C#CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 61345894 YIWNDYAKWCABCB-UHFFFAOYSA-N 375.218 3.827 30 40 GHEB Oc1ccc(Br)cc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 15658597 FMEGNWHPMLOVAM-NDENLUEZSA-N 394.700 3.964 30 40 GHEB COc1ccccc1N(CCC#N)C(=O)CSc1ccc2c(c1)OCCO2 4195238 YVKCLENINSPDGB-UHFFFAOYSA-N 384.457 3.505 30 40 GHEB CC1(C)Cc2c(sc(NC(=O)[C@H]3CC(=O)OC34CCCCC4)c2C#N)CO1 1088013 MIKINGLNXIAYEQ-CQSZACIVSA-N 388.489 3.676 30 40 GHEB CCCCC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 20827359 LHFCDRPPPKDUEQ-UHFFFAOYSA-N 398.551 3.767 30 40 GHEB CCc1cc2c(=O)n(CCC(=O)Nc3ccc(C#N)c(Cl)c3)cnc2s1 32871228 BVBWXXNQJXFHGS-UHFFFAOYSA-N 386.864 3.574 30 40 GHEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 102930936 NVTYOTBDOFFERV-GHNGSUTGSA-N 385.847 3.717 30 40 GHEB COc1ccccc1C(=O)O/N=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1 1030530 GRIIRKDQOYLRDJ-QOCHGBHMSA-N 377.356 3.608 30 40 GHEB CC(=O)C1=C(C)CC[C@](CC[C@]2([N+](=O)[O-])CCC(C)=C(C(C)=O)C2)([N+](=O)[O-])C1 1595440 LSYLXJKNHAOQKI-WOJBJXKFSA-N 392.452 3.976 30 40 GHEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2240725 CNXKZTKUQJURNI-UHFFFAOYSA-N 397.438 3.787 30 40 GHEB CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C\c2ccccn2)C1=O 4560975 IKJMEKSISSSURD-PTNGSMBKSA-N 397.412 3.533 30 40 GHEB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 12901973 HWPAKSOCJXPQPW-SFHVURJKSA-N 388.471 3.787 30 40 GHEB N#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 15644406 IWYVKXUJZILVII-UHFFFAOYSA-N 389.386 3.967 30 40 GHEB COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cccc(C#N)c1 16085724 NUVSFJVTDDDAPQ-UHFFFAOYSA-N 393.511 3.813 30 40 GHEB C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 100319806 XJEYIBOJDACAPL-CUEIJVFDSA-N 385.467 3.523 30 40 GHEB N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C/c1ccc(Cl)cc1Cl 100393526 ANMXEFOUEGTNPV-AANSTMGCSA-N 384.226 3.574 30 40 GHEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408962487 YOIUYZYLCIOOBY-CIAFOILYSA-N 398.440 3.574 30 40 GHEB CCc1ccccc1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409353393 KATXUXOCGUBKBJ-UHFFFAOYSA-N 386.455 3.954 30 40 GHEB C=CCN(CC=C)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 12516986 NRPLRHVILUWXDX-GFCCVEGCSA-N 388.562 3.691 30 40 GHEB CC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59249610 BFPODSLHMQMIMN-YBFXNURJSA-N 377.238 3.832 30 40 GHEB N#Cc1ccc(CN2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 12986546 JJZDEBPLQCHYRJ-UHFFFAOYSA-N 388.496 3.640 30 40 GHEB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(C#Cc3ccccc3)cc2)c1 12998823 JBDZURHIGYQLER-UHFFFAOYSA-N 398.462 3.806 30 40 GHEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(CC)c1C 5526074 VFXHHRRSLXURAZ-HXUWFJFHSA-N 385.508 3.687 30 40 GHEB C=CCOc1ccc(/C=C2/SC(=S)N([C@H](CCC)C(=O)O)C2=O)cc1 5965670 CPFLMPVQFKYZFT-XDPMZMSMSA-N 377.487 3.706 30 40 GHEB C#CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408534683 WAMKVRWBXSDUCY-UYRXBGFRSA-N 378.453 3.907 30 40 GHEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)Nc1ccccc1F 225860168 FXHOAFVZZMZSDS-UHFFFAOYSA-N 382.826 3.964 30 40 GHEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223196577 IHBWUIGMMKTQBL-NRFANRHFSA-N 382.479 3.868 30 40 GHEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1)S(C)(=O)=O 260947562 WIWBFZIRBZZEHG-MRXNPFEDSA-N 398.528 3.618 30 40 GHEB CN(CCCc1n[nH]c(N)c1C#N)c1ncnc2scc(-c3ccccc3)c12 15113667 BPOJXJWBHJPWAB-UHFFFAOYSA-N 389.488 3.604 30 40 GHEB COc1cc(/C=N/Nc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)ccc1O 4693718 DOIHJWJSUBZXJT-SRZZPIQSSA-N 394.822 3.605 30 40 GHEB N#Cc1c(Cl)nsc1NC[C@H](c1ccccc1Cl)N1CCOCC1 51881154 MBNIACGDTKKXLP-CQSZACIVSA-N 383.304 3.807 30 40 GHEB COc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OCc1ccccc1 23762126 SCKDOMISYCQQDY-RCHCNPRSSA-N 392.407 3.502 30 40 GHEB C#C[C@@](C)(CC)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 1074424 FWXVAFIAAHCIDT-KRWDZBQOSA-N 376.338 3.540 30 40 GHEB C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccccc1 4285504 JVZVYLPLOBFYSM-UHFFFAOYSA-N 389.484 3.740 30 40 GHEB CCOC(=O)C1=C(C)OC(=S)[C@H](C#N)[C@@H]1c1ccc(Br)cc1 5716763 PDXFKHDRRYBRGR-OCCSQVGLSA-N 380.263 3.867 30 40 GHEB O=[N+]([O-])c1ccc(NC(=S)N/N=C(\c2ccccc2)c2ccccn2)cc1 8652012 VSSBEXAOUHFQCZ-RELWKKBWSA-N 377.429 3.729 30 40 GHEB O[C@@]1(c2ccc(OC(F)F)cc2)CS/C(=N/c2cccnc2)N1C1CC1 13144916 XOWCQYKBGSEVFU-YMNYDYPGSA-N 377.416 3.727 30 40 GHEB COc1cccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 13769715 AXFDRHFBOZUZGY-UHFFFAOYSA-O 382.871 3.690 30 40 GHEB CCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N 19904890 YOGXJKNUVJMMRT-UHFFFAOYSA-N 386.864 3.773 30 40 GHEB Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959922 JWUZKUKDUYMMJY-QVKFZJNVSA-N 389.459 3.661 30 40 GHEB CC(C)(CNC(=O)c1ccccc1SCC#N)N1CCc2ccccc2C1 40080555 YGEKDCINBWFRLN-UHFFFAOYSA-N 379.529 3.869 30 40 GHEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1nc2ccccc2s1 100628233 FWAIGDRVXXGELV-BIDVBJRCSA-N 396.497 3.886 30 40 GHEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 2796191 BEUSUNLRLFFERK-LJQANCHMSA-N 384.432 3.906 30 40 GHEB C=CCn1c(SCC(=O)c2ccc(OC)cc2F)nc2ccccc2c1=O 3251505 PVJBZKBFISMDCY-UHFFFAOYSA-N 384.432 3.705 30 40 GHEB C#CCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033595 WEDIWGQHUVUBEV-CQSZACIVSA-N 379.847 3.852 30 40 GHEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@H](O)c4ccc(O)cc4)[C@H]3C[C@@H]12 4073596 OBTXHSTWEOYBKT-NEZQKAMOSA-N 399.531 3.672 30 40 GHEB biogenic CCC(=O)C1=C(c2ccc(Cl)cc2)N(C(=O)CC)n2c(CC)nnc2S1 4518300 RORIKSJODGYRKO-UHFFFAOYSA-N 390.896 3.822 30 40 GHEB C[C@@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@]1(C(=O)O)c1ccccc1 4728641 GZBLEGZPSIEDSO-YZIOPHNTSA-N 398.375 3.723 30 40 GHEB C[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C1=O 4951503 DXTVORKQHSWALX-FVEYYUGASA-N 384.480 3.746 30 40 GHEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCc3cccnc3)c(C)c12 6624254 PKWNSJBIIYVAGS-UHFFFAOYSA-N 392.455 3.619 30 40 GHEB biogenic C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(OC)cc1)C2 12345665 JBYKPYZVLDVKCA-SVGJNIJCSA-N 377.484 3.722 30 40 GHEB C/C(=N\OCC(=O)Nc1ccc(C)c2ncccc12)c1ccc2c(c1)OCO2 31083706 VVHJLGCGUFPBNZ-ZVHZXABRSA-N 377.400 3.651 30 40 GHEB CCn1c(CN(C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2ccccc21 72308278 RJXOGBKWUWLYRE-SFHVURJKSA-N 389.503 3.823 30 40 GHEB Cc1sc2nc(C)n(/N=C/c3cc(Br)ccc3O)c(=O)c2c1C 799888 OQQCESQDLZRCMS-CNHKJKLMSA-N 392.278 3.734 30 40 GHEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(SC)cc4)c(C)nc3c2c1 2211644 LDVMININVSYLKI-SRZZPIQSSA-N 378.457 3.799 30 40 GHEB CC(C)c1ccc(C[C@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 5836408 DTIKKWQSTMNAHI-AGKWGAAGSA-N 396.472 3.882 30 40 GHEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1Cl 8267875 ZOVUPPOCRACDBF-NLJQMMIASA-N 390.779 3.989 30 40 GHEB Cc1sc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)c(C#N)c1C 10219015 SFIXMKCPIQKMPQ-UHFFFAOYSA-N 380.466 3.568 30 40 GHEB CC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnnn1-c1ccc(C)cc1 13799593 PVIYRNWSYMRRJL-SILNSSARSA-N 386.868 3.731 30 40 GHEB O=C1CS/C(=N\c2nn(Cc3ccccc3Cl)cc2Cl)N1C1CC1 17077902 RKKLGONNASVKIB-MNDPQUGUSA-N 381.288 3.964 30 40 GHEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NC1CCCCCCC1 17186990 VOHILNWVZWMYKE-UHFFFAOYSA-N 383.448 3.636 30 40 GHEB CCN(CC)c1ccc(/C=N\Nc2nc(C)cc(COC)c2C#N)c(OC)c1 32116951 UCMWRRGKPAMCBA-QRVIBDJDSA-N 381.480 3.709 30 40 GHEB N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(C(F)(F)F)cn1 41556433 MOYUWYNJGZHPPC-LLVKDONJSA-N 377.347 3.635 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 102926718 ZDIKWQNLWSQUEK-GHNGSUTGSA-N 385.847 3.798 30 40 GHEB O=[N+]([O-])c1cccc(COc2ccccc2/C=N/Nc2ncccc2[N+](=O)[O-])c1 409102807 UFPADUWNJCLQAO-CIAFOILYSA-N 393.359 3.923 30 40 GHEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 870236 LSFQNRBVPUTPPX-JJXNMMKVSA-N 389.427 3.945 30 40 GHEB Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1354967 KOYXTKZLYBFATF-UHFFFAOYSA-N 391.452 3.917 30 40 GHEB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)cc1 1433814 WHRVFWDCBCUYOH-VUUXHMSQSA-N 393.442 3.745 30 40 GHEB biogenic CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 2063666 QZFQTBALAXBUTK-FQEVSTJZSA-N 397.471 3.973 30 40 GHEB C=CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCC 2081007 URLBPOFHJANKAZ-ATVHPVEESA-N 394.383 3.903 30 40 GHEB Cc1c(/N=C/c2cccc(Br)c2O)c(=O)n(-c2ccccc2)n1C 2317062 PRDXZGOVYURXPX-RGVLZGJSSA-N 386.249 3.703 30 40 GHEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cc(Cl)nc(Cl)c1 5353025 GCZQSOXKKZRIBJ-UVTDQMKNSA-N 391.254 3.919 30 40 GHEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCCC[C@H]1C 5476050 SGRBLLYRTVPNNU-DOMZBBRYSA-N 395.297 3.793 30 40 GHEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)cc1 5800497 XKEXMFBTIDBTKE-QGZVFWFLSA-N 396.424 3.836 30 40 GHEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O)Nc1ccc(F)cc1 6434061 QGLNGCHAEXBNRJ-OLRQPGBRSA-N 383.448 3.948 30 40 GHEB COC[C@@H](C)N1/C(=N/c2cccnc2)SC[C@@]1(O)c1cc2ccccc2o1 13067230 JTJDHJFWWKNJPL-CLHLWJIGSA-N 383.473 3.744 30 40 GHEB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1C 19928027 WDYGRRRRNGWGNO-UHFFFAOYSA-N 394.456 3.868 30 40 GHEB C=CCn1c(SCCC(=O)Nc2ccccc2C#N)nc2sccc2c1=O 32871054 LMWZUSWFTPZRTM-UHFFFAOYSA-N 396.497 3.637 30 40 GHEB CCOc1cc(C#N)ccc1OCc1nnnn1-c1ccc(C(F)(F)F)cc1 48340576 SUIJRWNCTUMTHF-UHFFFAOYSA-N 389.337 3.530 30 40 GHEB O=C1/C(=C\c2ccc(OCCN3CCOCC3)c(Cl)c2)COc2ccccc21 79105049 YKIRNLLPZQMWSY-LGMDPLHJSA-N 399.874 3.710 30 40 GHEB C#CCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(NC(C)=O)ccc21 100703287 ASPPOIXNOSNBMP-QOCHGBHMSA-N 383.860 3.689 30 40 GHEB Cc1c(/C=N/c2cccc(/C=C/C(=O)O)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 100929645 NDAQLHZATGAJRF-BJRNYMFBSA-N 396.406 3.809 30 40 GHEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(Cl)cc1 102799899 BWFCVHPKOFBTEA-HVESIFNPSA-N 389.835 3.700 30 40 GHEB C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1 408949860 CNZAHCSDJNVGJI-XMHGGMMESA-N 378.453 3.989 30 40 GHEB Cc1cc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)cc([N+](=O)[O-])c1C 409326446 BUVCVIXMFLSGQI-IDUWFGFVSA-N 375.431 3.666 30 40 GHEB C=CCn1c(SCc2c(C)noc2C)nnc1[C@@H]1COc2ccccc2O1 4195359 TYQNXYVZANKAGG-KRWDZBQOSA-N 384.461 3.874 30 40 GHEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(OC)c1 4406229 AUTHIGPVRCOTLD-DYHNYNMBSA-N 392.455 3.926 30 40 GHEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3OCC(=O)O)S2)cc1 4696384 AXUGHYBTRLROBW-GZTJUZNOSA-N 382.441 3.604 30 40 GHEB Cc1ccc(N(CCC#N)C(=O)COC(=O)COc2c(C)cc(C)cc2C)cc1 6551372 FHUTXXFZGQHOJH-UHFFFAOYSA-N 394.471 3.789 30 40 GHEB CC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2CC#N)CC1 7768155 PWFSAIWPXBSXRG-UHFFFAOYSA-N 384.530 3.942 30 40 GHEB COc1ccccc1-c1nnc(SCC(=O)NC2(C#N)CCCCCC2)o1 12768763 JGMOQGCPJDSUBC-UHFFFAOYSA-N 386.477 3.570 30 40 GHEB N#Cc1cccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 12860520 CQMRTWRIHMLLFE-UHFFFAOYSA-N 377.444 3.670 30 40 GHEB CN(CCCc1n[nH]c(N)c1C#N)c1nc(-c2ccccc2)c2ccccc2n1 15113731 KRRZYGVDAXRAGD-UHFFFAOYSA-N 383.459 3.543 30 40 GHEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)cc1OC)C2=O 20624751 SJQQZMBAEXSEHO-JAIQZWGSSA-N 383.444 3.867 30 40 GHEB COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2cccc(OC)c21 40133160 BTLBZJLDFZJSMQ-UHFFFAOYSA-N 380.444 3.714 30 40 GHEB CCOC(=O)c1ccc(N/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 59942134 KVHQHFBNHJIXMF-ZHACJKMWSA-N 385.416 3.698 30 40 GHEB CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 71279515 WYDHDLAKKZJFMW-UHFFFAOYSA-N 391.471 3.666 30 40 GHEB Cc1cn2c(/C=C/C(=O)OCc3cn4ccccc4c3C#N)c(C)nc2s1 89702076 NPPDNHSEDWRPKX-VOTSOKGWSA-N 376.441 3.894 30 40 GHEB N#Cc1ccc(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1 90607624 MDKCVOWDTJJMFE-UHFFFAOYSA-N 375.350 3.656 30 40 GHEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087391 YQCFKNMXVXYHJG-UHFFFAOYSA-N 391.405 3.501 30 40 GHEB C=CCOc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225421757 ZRGGQUHONXIMPL-UHFFFAOYSA-N 383.517 3.575 30 40 GHEB COC(=O)c1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1C 409071257 IWZYMCVMLWJFHO-QGMBQPNBSA-N 393.193 3.909 30 40 GHEB N#Cc1cc(F)ccc1CN1CCC[C@@]12CCCN(C(=O)c1ccncc1)CC2 585100316 JZDRDKSSDACQHU-HSZRJFAPSA-N 392.478 3.753 30 40 GHEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 2179578 UWJTZEZLBUFVDF-UHFFFAOYSA-N 378.881 3.673 30 40 GHEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 2561690 LUGMHHFDAFMFQG-QGZVFWFLSA-N 385.460 3.576 30 40 GHEB Cn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 2779098 YFNHNMVJFNPWSY-UHFFFAOYSA-N 379.283 3.637 30 40 GHEB COc1cc(/C=N/OCC(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1 5347185 SAEBERWSSZYMTI-SSDVNMTOSA-N 388.851 3.557 30 40 GHEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1nnc(-c2cccs2)o1 5470850 IMUCITFEWPYGOF-LLVKDONJSA-N 382.401 3.568 30 40 GHEB CC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C#N)c1C 6455905 DFUXGVVVRHANTF-UHFFFAOYSA-N 388.430 3.505 30 40 GHEB COC(=O)COc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811373 QRYUJJSUKGCMCS-ZVBGSRNCSA-N 397.258 3.678 30 40 GHEB O=C1ON=C(c2ccc(Cl)cc2Cl)/C1=C/c1cccc([N+](=O)[O-])c1O 12428430 YWLKJCMBHKPBSF-WDZFZDKYSA-N 379.155 3.952 30 40 GHEB N#Cc1c(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)sc2c1CCCC2 12760598 PJXUOTPPBVVKIF-UHFFFAOYSA-N 393.512 3.932 30 40 GHEB O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(C#Cc2cccs2)c1 24865945 LFNRYPAALDKLHV-UHFFFAOYSA-N 388.492 3.835 30 40 GHEB CCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccc(C(C)=O)cc1 101620625 ZCRITCTXNDCQFF-XDOYNYLZSA-N 383.473 3.950 30 40 GHEB O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102930417 ZPHUDLBFHYEPSW-GROYHEBESA-N 391.814 3.756 30 40 GHEB C#CCOc1c(Br)cc(C(=S)N2CCC(C)CC2)cc1OC 107753364 RGUOLPLKSOPACY-UHFFFAOYSA-N 382.323 3.877 30 40 GHEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224845226 QSVRGHFVLNOOQB-UHFFFAOYSA-N 389.473 3.626 30 40 GHEB