smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=c1cc(-c2ccc(O)cc2)oc(O)c1SCc1ccccc1 6580396 SEBMBTIBNDZHLP-UHFFFAOYSA-N 326.373 4.010 0 1 EIAF O=C(O)[C@@H]1CCCN(CC[C@@H]2CC2(c2ccccc2)c2ccccc2)C1 13729483 IWMITAPIVPWQBA-WIYYLYMNSA-N 349.474 4.179 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@H]12)C(=O)c1occc1CC3 14439725 LNCVWXIEKBWIDP-BEVDRBHNSA-N 328.408 4.396 0 1 EIAF biogenic O=C(O)c1nc(-c2cc(Cl)cc(Cl)c2)oc1C(F)(F)F 28365976 ZYYKUESCAFUOMC-UHFFFAOYSA-N 326.057 4.365 0 1 EIAF Clc1cccc(C[C@H](c2ccccc2)N2CCNCC2)c1Cl 36093253 NXRPSLBPUSCIJD-QGZVFWFLSA-N 335.278 4.182 0 1 EIAF CC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 84689403 BTCQTMCIFKWWQJ-UHFFFAOYSA-N 339.826 4.431 0 1 EIAF C[C@]12Cc3conc3C[C@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12 169371868 NSYTUNFHWYMMHU-VHKGBJFMSA-N 329.484 4.383 0 1 EIAF Cc1nc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1Br 586884509 QJGZRXDQMSUVTD-GUUCOKDPSA-N 346.272 4.497 0 1 EIAF CC[C@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1 586892776 WHYGUNXBPDJUIK-TVQRCGJNSA-N 326.181 4.071 0 1 EIAF FC(F)(F)c1cc(Br)cc2nc(C3=COCC3)[nH]c12 586913132 MZCVVUGVDVFFKY-UHFFFAOYSA-N 333.107 4.105 0 1 EIAF O=C(c1cncc(Br)c1)c1coc2ccc(Cl)cc12 587275784 FXRDLGBTQPYTPD-UHFFFAOYSA-N 336.572 4.475 0 1 EIAF CCOc1c(Cl)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587375406 MNEHIRXICXSAPX-MRXNPFEDSA-N 331.799 4.336 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cc(N)ccc21 587392329 XYMSVOJFPKRDGU-JOCHJYFZSA-N 342.398 4.049 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(C(C)(C)C)c1)O2 587405393 WPOUWBMCKOSFEM-SFHVURJKSA-N 325.408 4.287 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@H]3CCCO3)s1)O2 587409278 HMVPIGXEMGRSQP-CABCVRRESA-N 329.421 4.197 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(Cl)ccc41)[C@@H](C2)C3=O 587424484 ZYDPMCWBQXLMJN-OXJNMPFZSA-N 340.806 4.328 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1OC)CC2=O 587465497 DROGLZRETLSXLO-GOSISDBHSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3[nH]1)CC2=O 587488083 YCYFVPLRDOXUOX-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4nccc(C)c4[nH]3)cc2)c1 587933206 ZBAZHRKBKYTTBL-UHFFFAOYSA-N 343.386 4.173 0 1 EIAF COc1ccccc1-c1cc2c(N=c3cc[nH]c(C)c3)nccc2[nH]1 618012564 QRWSGUQLLOQCCR-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF C[C@@H](C(=O)O)n1cccc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962668651 XBIJDUCHNAJABS-YCRPNKLZSA-N 346.430 4.036 0 1 EIAF O=C(CCCN1CCc2ccccc2CC1)c1ccc(Cl)cc1 1772587342 LQRMVBGKOMVMNF-UHFFFAOYSA-N 327.855 4.404 0 1 EIAF O=C1COCc2c(-c3cccc(O)c3)cccc2N1Cc1ccccc1 74375185 OHKOFTMPNZYHNT-UHFFFAOYSA-N 345.398 4.123 0 3 EIAF Cc1csc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 4960823 BNHFQVSRERZCEQ-QGZVFWFLSA-N 335.432 4.218 0 1 EIAF COc1ccc2c(c1)CC[C@H](CN1CCC(c3ccccc3)CC1)C2=O 13588370 QUZAAKMCCPRHKQ-HXUWFJFHSA-N 349.474 4.320 0 1 EIAF COC(=O)[C@@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 13685710 HQTSGSQNNAWJPE-QGZVFWFLSA-N 338.403 4.263 0 1 EIAF C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1 13983057 HUUNMUHHQRBGBT-NSHDSACASA-N 338.390 4.133 0 1 EIAF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSc1ccccc1)C(=O)O 26026119 MTPHFQMAMCDFAH-DFSFMLJYSA-N 347.480 4.080 0 1 EIAF CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1 26662922 OMADIDFKVYFXIO-UHFFFAOYSA-N 339.479 4.268 0 1 EIAF COc1cc(-c2oncc2-c2ccc(F)cc2)cc(OC)c1OC 84742604 YAENNCVMFCMQJW-UHFFFAOYSA-N 329.327 4.174 0 1 EIAF CCOC(=O)C1=CN(Cc2ccccc2OC)C=C[C@@H]1c1ccccc1 103081419 PQEIVFZLHZEALO-LJQANCHMSA-N 349.430 4.255 0 1 EIAF COc1ccc(C(=O)Nc2ccc([C@H]3CCCNC3)cc2)cc1Cl 117723981 ZBNVJXGGHHKIFD-HNNXBMFYSA-N 344.842 4.068 0 1 EIAF O=c1ccc2cc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)ccc2o1 586916674 RQZQBXCXAFGWCX-UHFFFAOYSA-N 348.255 4.494 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(F)cnc2[nH]1 587044495 FLRFNMWHCGKYQM-UHFFFAOYSA-N 342.157 4.088 0 1 EIAF COc1cc2c(cc1Cl)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587379278 HIMIOEMKWKKYGR-LJQANCHMSA-N 343.810 4.046 0 1 EIAF O=C1C[C@]2(CCOc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 587506773 LXKVFGXTIRPHHG-NRFANRHFSA-N 338.378 4.348 0 1 EIAF C[C@]1(c2c[nH]c3nccc-3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526112 PSBZVIRCXPLZBD-OAQYLSRUSA-N 332.403 4.274 0 1 EIAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587638611 SYTZBJJPWHVSFB-SNVBAGLBSA-N 332.400 4.014 0 1 EIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3ccccc3)c2c1 587649401 INANEEIGIUUYRJ-UHFFFAOYSA-N 339.338 4.257 0 1 EIAF CCCCOc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccccc2)cc1 1772628927 OSDYBCZUSPIIFN-PZJWPPBQSA-N 338.447 4.440 0 1 EIAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]12)[C@@H]43 2356770671 DSLVSUCNEVMWIG-OWMQFKGLSA-N 344.451 4.458 0 1 EIAF CCCCNC(=O)[C@@]1(C)CCCCCN1Cc1cc2ccccc2o1 61926377 QBDFHLKBVOXOMV-OAQYLSRUSA-N 342.483 4.484 0 3 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253778357 HQWPPVLSHLFTDY-AYUOOJHXSA-N 329.484 4.180 0 3 EIAF Nc1nc(N)c2cc(CNc3ccc4cc(Cl)ccc4c3)ccc2n1 1565346 RETLOGXVWNEQQR-UHFFFAOYSA-N 349.825 4.213 0 1 EIAF COc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1 4258478 WIEHKHRKXABTRA-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CCCO)CC[C@@]43C)[C@@H]1CCC2=O 13671517 QDVSNHMGKULZNC-JAMPEYMFSA-N 348.527 4.102 0 1 EIAF CCCOC(=O)N1CC[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741101 CCRLYVKNQFEDJB-INIZCTEOSA-N 347.455 4.353 0 1 EIAF CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 13862328 SOQHCJHLGFPETK-UHFFFAOYSA-N 344.461 4.389 0 1 EIAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 15116870 WPAIYQYGYZEDNV-DZKIICNBSA-N 332.440 4.426 0 1 EIAF biogenic CS(=O)(=O)c1ccc(-c2[nH]c(F)cc2-c2ccc(F)cc2)cc1 28095464 BZUUKJYBCDWFTN-UHFFFAOYSA-N 333.359 4.030 0 1 EIAF C=C1OC(=O)C(CCCCCCCc2ccc3c(c2)OCO3)=C1OC 34577870 FMDJAWFHQFXCMY-UHFFFAOYSA-N 344.407 4.269 0 1 EIAF biogenic,in-vitro O=C1CCc2cc(-c3cncc(-c4ccc(F)cc4)c3)cc3c2N1CC3 71330323 FUHOYNNMQXBLPO-UHFFFAOYSA-N 344.389 4.390 0 1 EIAF CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(C)cc2c1=O 73224403 JXWBDCIRVLFFNT-UHFFFAOYSA-N 337.419 4.165 0 1 EIAF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2ccc(F)cc2)n1 82141164 SAKXLHFPANWILX-OLZOCXBDSA-N 344.434 4.021 0 1 EIAF Cc1ncc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)o1 143347137 OPELJYVQFCKQEM-KRWDZBQOSA-N 331.293 4.429 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 169303255 UZLFWAJFZBWCGR-CQSZACIVSA-N 349.381 4.053 0 1 EIAF C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@H]1C2(C)C 169323883 BVLMUEUIQIASQJ-COMAGPEQSA-N 326.362 4.296 0 1 EIAF COc1ccccc1O[C@H]1O[C@@H](Oc2ccccc2OC)[C@@H](C)[C@@H]1C 238740971 HCNYKHWVAWXELI-WZBLMQSHSA-N 344.407 4.116 0 1 EIAF CN(Cc1ccccc1)[C@H]1CCCn2nc(COc3ccccc3)cc21 299839741 SYSOEILIOJHZSZ-NRFANRHFSA-N 347.462 4.429 0 1 EIAF O[C@H]1C[C@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 586905232 ZWQODFFJXRJNFB-GWCFXTLKSA-N 347.187 4.034 0 1 EIAF Clc1cc2[nH]c(-c3ccc(Br)o3)nc2c(Cl)n1 587007339 HTLJSQRAFFGUBO-UHFFFAOYSA-N 332.972 4.287 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(CCO)cc2[nH]1 587012902 UOFYIWCPQRNNSQ-UHFFFAOYSA-N 349.459 4.120 0 1 EIAF COc1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017184 HQNQVPKZKIBJPT-UHFFFAOYSA-N 342.811 4.410 0 1 EIAF Cc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2c(C)n1 587028874 AQKFLMRJGZOPJO-UHFFFAOYSA-N 336.420 4.277 0 1 EIAF Cc1ccc2c(ccc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c32)n1 587059982 XBQZCHSMIVDSEB-OAHLLOKOSA-N 336.826 4.315 0 1 EIAF Cc1nccc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587196263 POBGXBJUJJSQIJ-UHFFFAOYSA-N 328.419 4.473 0 1 EIAF Nc1cc(-c2nc3ccc(Br)nc3[nH]2)c2ccccc2c1 587251273 ASKZEVCRGNINQJ-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(Cl)c(Cl)c3Cl)nc2n1 587368904 RHSHEDXVRPTLNX-UHFFFAOYSA-N 342.569 4.063 0 1 EIAF CCOc1ccc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443889 QKPHBQNTYBEEQU-UTKZUKDTSA-N 338.403 4.147 0 1 EIAF CCN(CC)CCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501399 CMVDNOMRFZUSFI-NRFANRHFSA-N 329.484 4.411 0 1 EIAF O=C1C[C@]2(CCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514833 POYMYYMAXXXCKY-QHCPKHFHSA-N 347.458 4.175 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2Cl)N1 587701806 XUDOCTGKAWYNIG-UHLUBPPHSA-N 343.627 4.193 0 1 EIAF CC(C)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814776 IXGJJQUTXZEZON-MGPLVRAMSA-N 326.253 4.384 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cc(OC)ncc4[nH]3)c2)cc1 587934833 GCIWYMXOPSRYCI-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF COc1ccc2c(c1)[C@@]1(CC[C@H](C(=O)O)C(C)(C)C1)N(C(C)C)CC2 962089737 HTBBSLRSJOHPEG-UTKZUKDTSA-N 345.483 4.068 0 1 EIAF C[C@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccccc1 1857635546 YJXOISPYJORRTP-LSDHHAIUSA-N 335.451 4.193 0 1 EIAF CN1C[C@](O)(c2ccc(/C=C/c3ccccc3)cc2)O[C@@H]2CCCC[C@H]21 1857645042 ZVTVLKMLXPPMKV-FXAFCYHXSA-N 349.474 4.275 0 1 EIAF CCCc1ccc2c(Br)cc(Br)c(O)c2n1 1857748203 DRNGOXBDYSRMET-UHFFFAOYSA-N 345.034 4.418 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@@]12CCC[C@H]1CC[C@H]4C2 2356374220 QJXRSIRLKXZTIH-SWYONJDDSA-N 344.495 4.067 0 1 EIAF CC1(C)[C@H]2CCC3=C[C@](C)([C@@H]4COC(=O)O4)CC[C@@H]3[C@]2(C)CC[C@H]1O 2356445439 BGSJFVGLRGGPJP-HVOFBMEKSA-N 348.483 4.462 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@H](O)[C@@H](C(C)C)CC3 2356713667 OLNJNDLWCJADAH-MHGREVIQSA-N 334.500 4.489 0 1 EIAF COc1cccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)c1 6485045 NVZVGKLRFXDTRT-UHFFFAOYSA-N 340.400 4.313 0 1 EIAF COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1 7884337 ZGHFRYBKBCWNMK-FQEVSTJZSA-N 330.387 4.466 0 1 EIAF CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O 14953746 WRRVHFIKXDBTBT-BONVTDFDSA-N 344.402 4.400 0 1 EIAF COc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1 14976367 YGCHSLWRNLMPFP-UHFFFAOYSA-N 342.402 4.115 0 1 EIAF O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCCCF 15217184 DYQPCSNLXMQTCT-DLBZAZTESA-N 334.472 4.224 0 1 EIAF biogenic Clc1ccc(-n2nnnc2SCc2ccccc2)cc1Cl 28655223 DOEHWXYFSQTRNK-UHFFFAOYSA-N 337.235 4.261 0 1 EIAF CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(O)cc4)cc3)CN2C=C1 49803381 DTZMDSGZIVZADA-IBGZPJMESA-N 344.414 4.046 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 85614649 YQNLDLVKFNZFTI-PNBARZEZSA-N 332.440 4.105 0 1 EIAF endogenous,in-man CCN1Cc2ccc(NC(=O)c3cccc(Br)c3)cc2C1 96284390 VWTIJRFQYZAZLL-UHFFFAOYSA-N 345.240 4.037 0 1 EIAF Cc1ccc(-c2cc(C)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1 299830230 XHGYUJYBYDDHOC-JCNLHEQBSA-N 339.439 4.063 0 1 EIAF CCCCCc1cc2c(Cc3ccccc3CN)cccc2[nH]c1=N 473126220 ZYDPWYSKPJPMGZ-UHFFFAOYSA-N 333.479 4.430 0 1 EIAF Cc1ccc(-n2ccnc2SCc2nc3c(C)ccnc3[nH]2)c(C)c1 586966104 FIZGVCKDCKNCJX-UHFFFAOYSA-N 349.463 4.361 0 1 EIAF Cc1ccc2c3c(c(C[C@@H]4CCOC4)cnc13)-c1ccccc1C2=O 587101486 NRCBNLFPDWGWFU-AWEZNQCLSA-N 329.399 4.334 0 1 EIAF COc1cncc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114869 XYQCCXNDRKHEKA-JTQLQIEISA-N 335.329 4.332 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1 587160369 BTFKLHDCOAYTLA-QWRGUYRKSA-N 332.176 4.131 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587175351 BMOSZRPQRXMPTP-UHFFFAOYSA-N 345.683 4.240 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccc(Cl)cc3n1)O2 587378574 CSAJBDBYPMVDTM-GOSISDBHSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(CC(C)C)c1C)O2 587390032 OYJZHVYSKQTJGI-LJQANCHMSA-N 326.440 4.358 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(N)cc4)o1)[C@@H](C2)C3=O 587433966 YHUAGJQESVJKAM-BTYIYWSLSA-N 347.370 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3)c1)CC2=O 587474985 JIRMJBGLVWWDPQ-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)C)nc1)CC2=O 587486783 LLHGMVZTCKHRHI-GOSISDBHSA-N 341.407 4.233 0 1 EIAF O=C1C[C@H](c2cnc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 587500383 OJLYISDOYMMOEO-CQSZACIVSA-N 349.217 4.369 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(F)CC2)N1 587739086 TWKHWXIBCKXKFI-IEBVAXJPSA-N 330.216 4.230 0 1 EIAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587766821 HLCRJJQCCVPFPN-DYZYQPBXSA-N 349.247 4.224 0 1 EIAF CCOc1ccccc1-c1cccc(-c2nc3cc[nH]c(=N)c3[nH]2)c1 587779670 CFGUTIBQTACQQA-UHFFFAOYSA-N 330.391 4.103 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3ccc4ncccc4c3[nH]1)CC2 587946113 JVAIFSYHIJRAQG-AWEZNQCLSA-N 329.403 4.392 0 1 EIAF Cc1cc2c(cc1F)[C@@H](c1cc(F)ccc1OC(F)F)NCC2 962148772 UVLWGLZWHNCPFA-INIZCTEOSA-N 325.305 4.110 0 1 EIAF CCCn1cc(COc2ccc3cc(Br)ccc3c2)nn1 1772581320 AQUNOOGAZXXYFR-UHFFFAOYSA-N 346.228 4.183 0 1 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 2356546243 FMPNFDSPHNUFOS-COWJDMPJSA-N 345.527 4.419 0 1 EIAF CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)noc1C 4034930 PIXWGQXZGWPJEN-UHFFFAOYSA-N 336.457 4.020 0 3 EIAF CCOC(=O)C1(Cc2ccccc2)CCN(C[C@H]2CC=CCC2)CC1 12050130 VMKAWVINMIKTDU-FQEVSTJZSA-N 341.495 4.231 0 3 EIAF COc1ccc(N[C@H]2CCCN(Cc3cccc4cnccc34)C2)cc1 12434615 HEWQPJSIWSDLSA-FQEVSTJZSA-N 347.462 4.320 0 3 EIAF Brc1cccc(Nc2ncnc3cc4c[nH]nc4cc23)c1 3815054 PKYIIOKOAUBHMM-UHFFFAOYSA-N 340.184 4.012 0 1 EIAF CC(C)CNC(=S)N(CCc1ccccc1)CCc1ccccc1 20468646 OWZNCLPIXBUAER-UHFFFAOYSA-N 340.536 4.304 0 1 EIAF COc1ccc2c(c1)[C@@H](CCCNC(C)=O)C[C@@H](c1ccccc1)C2 40917759 FWVARDNKSPQOSJ-AZUAARDMSA-N 337.463 4.425 0 1 EIAF C[C@H]1c2cc(F)ccc2OC[C@@H](C)N1C(=O)c1ccc(Cl)cc1 73386269 PARSKAKHCPQSNI-NEPJUHHUSA-N 333.790 4.463 0 1 EIAF COc1cccc(CCNc2cc(-c3cc(F)ccc3F)ncn2)c1 82161260 QKMSITAUEVKSER-UHFFFAOYSA-N 341.361 4.085 0 1 EIAF CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(F)c1 95593973 NEWGWYUAAHASQF-UHFFFAOYSA-N 343.427 4.486 0 1 EIAF Nc1ccc(-c2cc(=O)c3cc(CN4CCCCC4)ccc3o2)cc1 103217846 WXXIQUCIQOPODU-UHFFFAOYSA-N 334.419 4.028 0 1 EIAF CC[C@@]1(C(=O)NCCc2ccc(Cl)s2)[C@H](C)C1(Cl)Cl 103296643 OACHGQWHNADBRX-UFBFGSQYSA-N 340.703 4.280 0 1 EIAF CC1=Nc2[nH]ncc2[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1 169724251 AKKHFLXIVNXGTD-ROUUACIJSA-N 348.381 4.042 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C/Cl)[C@H]1CC[C@@H]2O 253738011 PHKKCWVLOCDAJQ-KTKQOWKMSA-N 336.903 4.404 0 1 EIAF Cc1ccc([C@@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)cc1 299819095 ADHFLARBYXCUAR-QGZVFWFLSA-N 346.434 4.168 0 1 EIAF CCCCCn1cc2c(=O)n(-c3ccccc3)nc-2c2ccccc21 299861431 LJQNMJHFTQGVGJ-UHFFFAOYSA-N 331.419 4.482 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1 587160535 CXRWZPDUGKBNBL-QWRGUYRKSA-N 332.176 4.131 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587161215 LMKDSVAOBCYOCT-KBPBESRZSA-N 336.345 4.298 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)noc1-c1ccccc1)O2 587394375 FWDRRTXUXGLBHX-QGZVFWFLSA-N 334.375 4.247 0 1 EIAF COc1ccc2c(c1)CCCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587402796 HXDCPZLPTDDLPM-OAQYLSRUSA-N 337.419 4.173 0 1 EIAF CCc1cccc(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423713 VONWKZBWPZRCPS-YJYMSZOUSA-N 328.795 4.400 0 1 EIAF C[C@H](N(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502888 GABJECVFROOLDE-HJPURHCSSA-N 349.474 4.376 0 1 EIAF Cc1nn(CC(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509885 XVQIPEJQOHLHRB-KRWDZBQOSA-N 346.377 4.042 0 1 EIAF O=C1C[C@@]2(CCCC[C@@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 587516633 ZCAMBQJGRNZFHT-DENIHFKCSA-N 348.446 4.417 0 1 EIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587527632 XMDUAAJERBHUER-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3cc(F)ccc3O)[nH]c12 587624581 NADNNAAVKODOFA-UHFFFAOYSA-N 333.746 4.269 0 1 EIAF Cc1cncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587772664 FPRGXJWFKXPZCC-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@H]1C 587865937 PWMNIODOSILONO-MFKMUULPSA-N 338.329 4.264 0 1 EIAF FC1(F)Oc2cc3nc(-c4ccc(OC5CCC5)cc4)[nH]c3cc2O1 587950961 HRYRLJFELWJRFP-UHFFFAOYSA-N 344.317 4.483 0 1 EIAF Fc1ccc2cc(-c3cn4nc(Br)sc4n3)oc2c1 653682138 IYGHMNONIJWPBX-UHFFFAOYSA-N 338.161 4.106 0 1 EIAF CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccc(OCC)cc1 653823862 UIPICROYEYQUOD-NVXWUHKLSA-N 344.432 4.044 0 1 EIAF COc1ccc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c(C)c1 963096705 GDFVQLOASULBEF-KKSFZXQISA-N 325.427 4.427 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)CC(=O)c1cccs1 963269680 LOLVDGGAKGZUIX-KRWDZBQOSA-N 335.856 4.044 0 1 EIAF COc1ccc2sc(C(=O)N(C)Cc3cccc(C)c3)cc2c1 1772632914 RLWZPZUTHZUGBI-UHFFFAOYSA-N 325.433 4.491 0 1 EIAF C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]21CCC(=O)O1 2356732168 BFKPXLDFMBGVDL-VTNJRNCZSA-N 342.479 4.162 0 1 EIAF COc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 61895439 ABNHSFGBKYJILA-INIZCTEOSA-N 348.324 4.186 0 3 EIAF COc1ccc(-c2csc([C@](C)(O)c3ccc(OC)cc3)n2)cc1 61904766 BADJPQSQIBAAIM-LJQANCHMSA-N 341.432 4.083 0 3 EIAF CSCSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28114186 WWCOUQDEXRRTEL-MXKMQCGYSA-N 330.515 4.035 0 1 EIAF CCCCOCCOc1nc(-c2ccc(C(=O)O)cc2)sc1C 34807154 SSPMOLOIDUBZFG-UHFFFAOYSA-N 335.425 4.012 0 1 EIAF O=C(/C=C/C=C\CC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 35079140 KAYVDASZRFLFRZ-FENSLTRZSA-N 339.435 4.334 0 1 EIAF biogenic,in-vitro COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1 49051773 SPGGHDQFLWNSLG-UHFFFAOYSA-N 338.407 4.076 0 1 EIAF O=C1O[C@@H](c2ccccc2)CC(O)=C1SCCc1ccccc1 100363855 UAGSYRKVSFXDHL-QGZVFWFLSA-N 326.417 4.420 0 1 EIAF Clc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005566 KSUOVMVBOFXDQB-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Fc1ccc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c1 587150604 NMGNDEWCOZQGEX-HYXAFXHYSA-N 328.318 4.173 0 1 EIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2c1cc2c3c(cccc3n1)CC2 587211357 DDDKKSBCVTYLJF-BJZITVGISA-N 336.435 4.056 0 1 EIAF CC[C@]1(c2cc(C)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443923 QTHBUVLANGGBLZ-IIBYNOLFSA-N 338.403 4.065 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(F)cc1OC)CC2=O 587466483 NYXFRGDPBFLERX-KRWDZBQOSA-N 348.345 4.338 0 1 EIAF CCCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587525895 VYDXRABZHWIHPZ-NRFANRHFSA-N 344.451 4.413 0 1 EIAF CC(C)(CCC(=O)O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531341 ZBCOAEHUMLLTSM-FQEVSTJZSA-N 330.424 4.180 0 1 EIAF O=C1C[C@@]2(CCCc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587534620 WVJONFBCVNCIHY-JOCHJYFZSA-N 334.415 4.468 0 1 EIAF CC(C)COc1cccc(OCc2nc3cncc(Cl)c3[nH]2)c1 587566025 PRQWVQOXYQATEM-UHFFFAOYSA-N 331.803 4.225 0 1 EIAF O=Cc1ccc(OCCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587566576 UGXHZGMIMQDXFK-UHFFFAOYSA-N 334.297 4.016 0 1 EIAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 587642299 RAWZXXQQUAQRAJ-SECBINFHSA-N 341.329 4.446 0 1 EIAF COc1cc(C2(c3nc4c(C)cnc(Cl)c4[nH]3)CC2)ccc1C 587928203 ZWWXNUVPZVGGQB-UHFFFAOYSA-N 327.815 4.317 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587952189 MNSVMVGFQFJYEZ-DFHBCGBQSA-N 341.455 4.494 0 1 EIAF Cc1nccn1-c1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963111034 QXDCBDXCUDVVJY-RBBKRZOGSA-N 347.437 4.430 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(-n2cncn2)cc1 963226253 HEYRHYADGNDOOI-JTSKRJEESA-N 346.478 4.187 0 1 EIAF CN(c1ccc(Cl)nc1)c1nn(C)c2cc(C(F)(F)F)ccc12 1772578141 ZKDTXYKFZGFSQY-UHFFFAOYSA-N 340.736 4.408 0 1 EIAF COc1c(C(C)C)ccc2c1CC[C@H]1[C@@H]3COC(=O)[C@@H]3CC[C@]21C 1772625177 ACQQGTZWIHSPES-MZTCLCMBSA-N 328.452 4.222 0 1 EIAF CN1C(=O)c2ncccc2-c2cc(-c3ccc(F)nc3)ccc2C12CC2 1857552388 PCKLKLKHDKJMKN-UHFFFAOYSA-N 345.377 4.024 0 1 EIAF C[C@@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3cccnc3)cc21 61927796 FZKUFIKUNROIBD-NRFANRHFSA-N 332.378 4.340 0 3 EIAF CC(C)n1cnc2c(NCc3ccccc3)cc(N[C@H](C)CO)cc21 61948990 UUJSPQQNHYVWIF-OAHLLOKOSA-N 338.455 4.022 0 3 EIAF COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@H]2c2ccccc2)cc1 199730127 PYPAEUWILHZGJR-HXUWFJFHSA-N 347.418 4.292 0 3 EIAF CCc1cc(NCc2nc3cc4ccccc4cc3o2)c(=O)[nH]c1C 5887400 YRBDIKOYTPKETQ-UHFFFAOYSA-N 333.391 4.152 0 1 EIAF Cc1ccc2c(c1)CN(C(=O)c1c(F)cccc1Cl)C[C@H](C)O2 12052198 TYOAIGMTJSNNJX-LBPRGKRZSA-N 333.790 4.211 0 1 EIAF CCN(CC)C[C@H](C)Nc1ccnc2cc(Br)ccc12 27552202 UUFHWDXXMIFWRG-LBPRGKRZSA-N 336.277 4.140 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)F 29554398 KUAIWVAYBRZSER-OWSLCNJRSA-N 340.385 4.486 0 1 EIAF O=C(N[C@@H](CC1=CCCCC1)c1ccc2c(c1)OCO2)C(F)(F)F 36381915 PDXDCWJWYQRKDR-ZDUSSCGKSA-N 341.329 4.025 0 1 EIAF O=C(O)C1=Cc2c(cc(Cl)c(Cl)c2Cl)O[C@@H]1C(F)(F)F 38618618 QHJMMUKBGZTMMK-VIFPVBQESA-N 347.503 4.438 0 1 EIAF CSc1ccc(C2=C(c3ccncc3)C(=O)N3CCC[C@@H]3C2)cc1 40940563 YXSIPMYIWVGNRN-MRXNPFEDSA-N 336.460 4.109 0 1 EIAF O[C@@H](CSc1ccccc1F)Cn1c2c(c3ccccc31)CCC2 84728351 WGUROKWDPQPFFP-CQSZACIVSA-N 341.451 4.422 0 1 EIAF O=c1ccoc2cc(OCc3cccc(Br)c3)ccc12 87613178 KANKLRACCODFPO-UHFFFAOYSA-N 331.165 4.135 0 1 EIAF COc1ccccc1-n1c(C)cn(C(=O)c2ccc(C)cc2)c1=S 98082796 FCIFEIGFNQHQFV-UHFFFAOYSA-N 338.432 4.322 0 1 EIAF O=C(Nc1ccccc1)C1=C(O)CCn2c1nc1ccc(Cl)cc12 100018503 WOGXTRGGRNZBJE-UHFFFAOYSA-N 339.782 4.001 0 1 EIAF Cc1ccc(C(C)C)c(OCCn2c(NC#N)nc3ccccc32)c1 211562535 WEYAETWJOSQQHJ-UHFFFAOYSA-N 334.423 4.440 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586897401 DHZRZHQFKUTPIE-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 587068876 FDBAWBUTPGRFSB-MRVPVSSYSA-N 335.194 4.036 0 1 EIAF CCOC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098749 TXYUACZTZMTWAM-UHFFFAOYSA-N 345.398 4.250 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1C 587239542 RXYFYRQZPVZUCO-UHFFFAOYSA-N 349.221 4.063 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(F)cc1F)CC2=O 587468596 YLPFLGJGPXCSJP-MRXNPFEDSA-N 334.318 4.035 0 1 EIAF COc1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587506418 SILKYTUQHYPQKE-IBGZPJMESA-N 326.367 4.420 0 1 EIAF O=C1C[C@](Cc2ccccn2)(C2CC2)Oc2c1ccc1c2CCCC1 587515736 QFRPTILXSKULDW-JOCHJYFZSA-N 333.431 4.317 0 1 EIAF C[C@]1(c2ccc3c[nH]nc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587525537 NTWIGZBHWPMYIP-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF COc1cc(C)ccc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 587563652 GYBVQKLGKBPIPN-UHFFFAOYSA-N 338.194 4.161 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C1CCC1)C1CC1 587604630 XPSBYKLLLUJRGX-NQIIRXRSSA-N 336.387 4.303 0 1 EIAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587607019 GPIQCBFNSOYSJJ-DYESRHJHSA-N 348.354 4.109 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccncn1 587860229 OPEKJLGSFXAFKL-UHFFFAOYSA-N 335.194 4.035 0 1 EIAF C[C@H](Cc1nc(-c2ccc(F)cc2)cs1)NC(=O)OC(C)(C)C 587922342 AZCLNMSHRCHYNC-LLVKDONJSA-N 336.432 4.405 0 1 EIAF COc1ccc2c(c1)[C@@H](c1ccc(OC)nc1Cl)N(C(C)C)CC2 962093972 UTRRDOCXEULOOO-GOSISDBHSA-N 346.858 4.108 0 1 EIAF O=C1OC[C@H](Cc2ccccc2)[C@H]1Cc1ccc(C(F)(F)F)cc1 1772626115 AXEUBEIVRKCGGI-DOTOQJQBSA-N 334.337 4.280 0 1 EIAF CC(C)[C@H](N)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61904349 HAJFUHLJLVGLFX-INIZCTEOSA-N 341.440 4.125 0 3 EIAF C[C@H]1CCCCN1C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 429178 GHMPGBCUQVWVIB-HNNXBMFYSA-N 347.414 4.475 0 1 EIAF Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)N1CCCc1cccnc1 13861345 JHJZSVHCUXVYQO-UZLBHIALSA-N 335.426 4.396 0 1 EIAF CC1(C)CC(=O)C(C)(C)c2nc(-c3cccc(C(F)(F)F)c3)nnc21 27552841 NPRTXCZFBSZOSK-UHFFFAOYSA-N 349.356 4.085 0 1 EIAF O=C(C1=NCCc2cc(OCc3ccccc3)ccc21)c1ccccc1 27558033 BHYGYQYXXXYENV-UHFFFAOYSA-N 341.410 4.494 0 1 EIAF Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccs3)N2)cc1 34021106 ZPZXOKLXALTLTB-UHFFFAOYSA-N 340.398 4.320 0 1 EIAF CCC[C@@H](C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43023170 CPPOCKDLLMLTSE-CQSZACIVSA-N 339.414 4.217 0 1 EIAF Cc1ccc(CN(C)C2CCN(Cc3cnc(Cl)s3)CC2)cc1 299859524 IBXAOTRTYTUCEV-UHFFFAOYSA-N 349.931 4.201 0 1 EIAF Cc1nc(C)c(Cc2nc3ccc(F)c(Br)c3[nH]2)s1 587011077 BWDGTLOPJNESAL-UHFFFAOYSA-N 340.221 4.129 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(Br)c2[nH]1 587087260 CRIMGUIBLHQVGY-MRVPVSSYSA-N 342.187 4.075 0 1 EIAF Cc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br 587089310 QEPTXJGRGJZNGN-UHFFFAOYSA-N 338.155 4.169 0 1 EIAF COC(=O)[C@@H](C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587096286 BXOLFOHSYFKCHP-ZDUSSCGKSA-N 345.398 4.340 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CC(=O)C[C@H]41)-c1ccccc1C2=O 587101173 ROXPOAZCPRXPKK-PXAZEXFGSA-N 339.394 4.373 0 1 EIAF O=C(/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 587167385 SBIGLIGJJKMSCC-CMDGGOBGSA-N 349.287 4.373 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2C[C@H]1C 587380021 OCRYREYYYWHSPV-NSPYISDASA-N 327.811 4.284 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC3CCC3)c1)O2 587383025 WWSSXWBSUGDAMQ-SFHVURJKSA-N 341.382 4.354 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccccc4)n1)[C@@H](C2)C3=O 587448623 AAGAHCSDQXBOBF-IFXJQAMLSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C1CCC1)CC2=O 587488885 KWRWVLVNHFVEOI-NRFANRHFSA-N 337.419 4.401 0 1 EIAF Cc1ccc2[nH]nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587526456 RMOGRYWSGHHKGV-LJQANCHMSA-N 332.403 4.457 0 1 EIAF CC(C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576446 JBENCVKYRZIMPL-GHTZIAJQSA-N 349.386 4.478 0 1 EIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601538 SSSRKFMRLQQZAX-GHTZIAJQSA-N 348.354 4.104 0 1 EIAF C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603199 NRFOBRDPJFJBPA-RXVVDRJESA-N 332.355 4.269 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 587951690 ISDONQQVGSHMGE-WWGRRREGSA-N 330.428 4.396 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CNC1CC1)c1ccccc1 963221864 BAKMGFDUZQNTBM-WZONZLPQSA-N 334.507 4.339 0 1 EIAF NC(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1 1772602510 JJUHKRNDDMOYGK-UHFFFAOYSA-N 344.374 4.093 0 1 EIAF C[C@H]1CCCCN1C(=O)NCCc1nc(-c2cccc(F)c2)cs1 1772611889 AHOTZVJYFPTYPM-ZDUSSCGKSA-N 347.459 4.076 0 1 EIAF C=[S@](O)(=NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 1857585114 SJTBBMXHIAPEGN-JOCHJYFZSA-N 327.327 4.147 0 1 EIAF CN1C[C@](O)(c2ccc(/C=C/c3ccccc3)cc2)O[C@@H]2CCCC[C@@H]21 1857645044 ZVTVLKMLXPPMKV-MUTIAJOJSA-N 349.474 4.275 0 1 EIAF Cc1cc(=Nc2nc(-c3ccccc3)nc3cc(Cl)ccc23)[nH][nH]1 1857765273 XTSRHTKBGVHHDQ-UHFFFAOYSA-N 335.798 4.147 0 1 EIAF Oc1ccc(-c2ccc(-c3cc(-c4ccc(O)cc4)[nH]n3)nc2)cc1 1857771697 RODBUOSHVJJLAY-UHFFFAOYSA-N 329.359 4.217 0 1 EIAF CCCC=CCC[C@H](O)CC[C@@H](O)CCCCCCCC(=O)O 2356514930 RQJUILPBCUMSNT-ROUUACIJSA-N 328.493 4.440 0 1 EIAF CN1C[C@@H]2CC[C@H]3[C@]4(C)CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C1 2356691914 BHQKVMLULBYHBA-MZLYOWLHSA-N 328.544 4.208 0 1 EIAF CCCCC[C@H](O)C1=C[C@H]2c3c(ccc(O)c3C=O)C[C@@H]2C(C)(C)O1 13373573 JGWMXJGHFYUWFO-HFTRVMKXSA-N 344.451 4.095 0 1 EIAF biogenic CC[C@@]1(c2ccccc2)C(=O)c2cccn2-c2ccccc2[S@]1=O 13756789 DNJXAPVRLRXLBO-YKSBVNFPSA-N 335.428 4.087 0 1 EIAF CC(C)C1=CC2=C(O)C(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)C2=C(O)C1=O 14774005 POAONACDMKZEOL-QUCCMNQESA-N 330.424 4.191 0 1 EIAF biogenic O=[S@@](CCCCCCc1ccccc1)c1ncc(-c2cocn2)o1 28352076 SJQJNLUDVZDFKN-XMMPIXPASA-N 344.436 4.240 0 1 EIAF CSc1ccc(C2=C(c3ccoc3)C(=O)N3CCC[C@@H]3C2)cc1 40938851 DVZWZPOVICOFPZ-OAHLLOKOSA-N 325.433 4.307 0 1 EIAF Cc1coc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 72116221 XAKHVFLBNVAXLY-IAGOWNOFSA-N 337.250 4.154 0 1 EIAF CC[C@H](c1cc(=O)[nH]c(S[C@H](C)CC)n1)c1c(F)cccc1F 72116403 OZVSZDNAISPGMO-GHMZBOCLSA-N 338.423 4.481 0 1 EIAF COc1ccc(-c2cnc3ccc(-c4ccccc4)nn23)cc1OC 74386011 NLYXDHCUGZJJLB-UHFFFAOYSA-N 331.375 4.081 0 1 EIAF CCCCC(=O)N1N=C(c2cc(Cl)ccc2N)SC1(C)C 82157223 FMAXHOCZYDBDHO-UHFFFAOYSA-N 325.865 4.086 0 1 EIAF O=C(Nc1ccccc1)Nc1ccc(Oc2ccc3nccn3n2)cc1 95562122 KKVSVOHZYJFTQM-UHFFFAOYSA-N 345.362 4.166 0 1 EIAF C[C@H](C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 96270681 IBVAETNABFDYAY-MRXNPFEDSA-N 326.484 4.009 0 1 EIAF CO[C@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@H]1N2C 100878397 ODOVOZRQRRUTGF-MHTWAQMVSA-N 337.463 4.043 0 1 EIAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1 113982602 AFOJUWLVLGDVMP-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF Cc1ncc(-c2nc3ccnc(Cl)c3[nH]2)c(C)c1Br 586979309 WMCWSLGJEXXUPU-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF Clc1cccc(-c2cc(-c3nc4nc(Cl)ccc4[nH]3)n[nH]2)c1 587068692 XGMDUNDFWODHNY-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF CN1CCC(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587105282 WMWTXTDUVLBCAN-UHFFFAOYSA-N 328.415 4.255 0 1 EIAF COc1cccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587235417 MCTFTTYRQCWLHM-CHWSQXEVSA-N 345.443 4.122 0 1 EIAF CCOC(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253781 PQQNFWMAYQWXJU-UHFFFAOYSA-N 331.375 4.142 0 1 EIAF COc1ccc(C=O)c(-c2nc3c(C)cc(Cl)cc3[nH]2)c1OC 587786604 LZTVWTDFYLAJCV-UHFFFAOYSA-N 330.771 4.021 0 1 EIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccccc1F 653694184 HKJRUBJCJWFSOZ-UHFFFAOYSA-N 334.350 4.164 0 1 EIAF CSc1ccc([C@@]2(C(C)C)NCCc3c(C(=O)O)cccc32)cc1 963126038 VPACMBABUPELLG-HXUWFJFHSA-N 341.476 4.152 0 1 EIAF CC[C@@]1(c2cccc(C(F)(F)F)c2F)NCCc2ccc(O)cc21 963328133 CLJUBYKPJOLLKV-KRWDZBQOSA-N 339.332 4.349 0 1 EIAF Clc1cccc(Cn2c(=NCc3ccco3)[nH]c3ccccc32)c1 1857579336 WQVMADGPXOSWLV-UHFFFAOYSA-N 337.810 4.365 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@H]5CC[C@H]6CC[C@@]5(C6)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356364579 ZDNSPOYRVSRVOI-PWTCKBTDSA-N 344.495 4.067 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)Cc3c(C)coc3C[C@@]12O 2356665771 NLCYQGGPCKLRKG-DZLUEKEQSA-N 346.467 4.122 0 1 EIAF COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)CC2)cc1 4712782 XTGXMOYENLYLTA-UHFFFAOYSA-N 346.789 4.014 0 3 EIAF COc1ccc(Nc2ccc(-c3ccccc3F)nn2)cc1OC 4859052 SQBSNZQJHFYNTK-UHFFFAOYSA-N 325.343 4.044 0 3 EIAF Clc1ccc(C2=NO[C@@H](c3nnc(-c4ccccc4)o3)C2)cc1 13660364 ZTJDMMHGSOLVOA-OAHLLOKOSA-N 325.755 4.256 0 3 EIAF C/C=C(/C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C 5132572 WXXUTDJJIXJPLZ-QXPCPCOISA-N 330.424 4.316 0 1 EIAF NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4)cc3)[nH]c2c1 38462945 WRXAZYUZGQQWDN-UHFFFAOYSA-N 347.349 4.260 0 1 EIAF CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308657 IALGVABNIXIPEW-SNPRPXQTSA-N 332.465 4.448 0 1 EIAF CCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 40393529 BVPNQJRWRXCTTC-UHFFFAOYSA-N 334.419 4.276 0 1 EIAF CC(C)(C)OC(=O)CCNC(=O)CCCCCCc1ccccc1 45495968 MKEJNRCADVXZSJ-UHFFFAOYSA-N 333.472 4.028 0 1 EIAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1 64436530 XALKSMFHDRJAKZ-NHCUHLMSSA-N 337.463 4.040 0 1 EIAF in-vivo COc1ccccc1CNc1cc(Oc2ccc(F)cc2)ncn1 82068295 IHHYDNITNSHSAT-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)o1 82165839 JUHFRFLAVBTSMQ-BETUJISGSA-N 338.411 4.182 0 1 EIAF CC[C@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103183781 YTHFHWXMMDQLSX-HNNXBMFYSA-N 339.483 4.087 0 1 EIAF CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cccc1C 103901232 ZYLRATQCOZADBF-HNNXBMFYSA-N 340.452 4.036 0 1 EIAF CC(C)=CCC/C(=C/CC/C(=C\CC/C(C)=C/CO)C(=O)O)CO 238785346 CQVPQVUCJIFYMK-HMEICLBBSA-N 336.472 4.162 0 1 EIAF O[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)CN2CCCC[C@H]2CO1 253761483 WPRGWNSLSGTMRS-VQTJNVASSA-N 343.854 4.037 0 1 EIAF CC(=O)[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100592 LRCYSCOFETXIOC-CYBMUJFWSA-N 327.383 4.373 0 1 EIAF NC(=O)c1cccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587165545 ZCWSCYVVHZZQCR-UHFFFAOYSA-N 337.379 4.196 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(O)cc1Cl)O2 587377174 VDDXUNJMGRHULK-CQSZACIVSA-N 338.190 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1C)O2 587392230 XPOXQFBLMXDAHB-LJQANCHMSA-N 347.418 4.086 0 1 EIAF CC[C@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 587415302 ZSTFORATGRXMCX-NHCUHLMSSA-N 337.419 4.389 0 1 EIAF COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)(C1CC1)[C@@H](C2)C3=O 587437590 HKGYFLBNLHZQJU-KSFYIVLOSA-N 345.398 4.229 0 1 EIAF CCCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439653 CALBVTKNQKYPHE-DYESRHJHSA-N 338.403 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(C)cc1O)CC2=O 587489853 PQJZLQRIBONLSB-LJQANCHMSA-N 326.392 4.374 0 1 EIAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 587513511 AXCGSMCNYGHOHX-IBGZPJMESA-N 332.403 4.159 0 1 EIAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCCC[C@H]2N1 587527149 SYZGPBJELAWPGO-NXCDGLKQSA-N 339.479 4.210 0 1 EIAF COc1cc(C)ccc1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587564244 PGLBSFQZPNCMDD-UHFFFAOYSA-N 340.276 4.015 0 1 EIAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588185 JYLRGMWSCJOSTK-UTKZUKDTSA-N 349.386 4.214 0 1 EIAF CC(C)OCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791618 KFBBDHDTSCNNCT-MEDUHNTESA-N 344.268 4.153 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@@]32CCc3cccnc3C2)cc1 962671706 UNRMPKSHAKPWEL-HSZRJFAPSA-N 326.443 4.279 0 1 EIAF CC(C)N1C[C@@H]2CC[C@H](C1)C21NCCc2c(Cl)cc(Cl)cc21 963102799 FRIMJISELMZNAF-NCNPBXTDSA-N 339.310 4.085 0 1 EIAF CC(C)[C@@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911572301 UVQZGKGTRXYCMH-HXUWFJFHSA-N 325.452 4.250 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@@H]3CC[C@]12C 254103695 WVBCLXPZFRTXNR-HJCZVKANSA-N 334.431 4.152 0 3 EIAF C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 427423 FALASDILZBJNJM-RHSMWYFYSA-N 332.762 4.249 0 1 EIAF CCCCc1nc2cc(F)ccc2n1Cc1ccc(C(=O)O)cc1 13451150 PEDNGFNSAHDKAY-UHFFFAOYSA-N 326.371 4.265 0 1 EIAF COC(=O)c1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 13581683 HYOJJXADACTQIE-UHFFFAOYSA-N 338.403 4.047 0 1 EIAF CCOC(=O)c1cnc2c(OC)cccc2c1N(C)c1ccccc1 27083478 VNSGHXYTQBEXDA-UHFFFAOYSA-N 336.391 4.188 0 1 EIAF CC(=O)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)O)c1O 29041979 LJZJHNDPUGZCHI-XYOKQWHBSA-N 348.395 4.070 0 1 EIAF CC1(C)S[C@H]1CS(=O)(=O)c1ccc(Oc2ccccc2)cc1 89454960 DRTODLUVQQWLLX-INIZCTEOSA-N 334.462 4.147 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921383 HGNMYGRBKGXPFK-XRXFAXGQSA-N 335.447 4.093 0 1 EIAF Cc1cc(Br)c2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2c1 586900972 FSHIMSKHBIFDDP-WFASDCNBSA-N 343.224 4.203 0 1 EIAF N=C(N)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053481 DIXKACXYPUTPTG-FNORWQNLSA-N 331.206 4.324 0 1 EIAF COC(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2n1 587055071 QZTPZGDLXHESHG-VMPITWQZSA-N 348.189 4.222 0 1 EIAF Cc1ccc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc1F 587146773 VZIDKJUPDAHPCP-SNAWJCMRSA-N 332.176 4.338 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587156242 REZMJEHQPQZRHL-ZDUSSCGKSA-N 332.306 4.069 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(C1CCCCC1)O2 587393559 IUTKVSQKJKQYLF-NRFANRHFSA-N 336.435 4.413 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(C1CCCCC1)O2 587393562 IUTKVSQKJKQYLF-OAQYLSRUSA-N 336.435 4.413 0 1 EIAF CC[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437475 FXKBHFRBSCGVFL-QVKFZJNVSA-N 333.387 4.229 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3[nH]1)CC2=O 587488086 YCYFVPLRDOXUOX-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(C)=O)c1)CC2=O 587491764 YYXUWKRHYFOYAI-OAQYLSRUSA-N 338.403 4.428 0 1 EIAF CCN[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511779 NMLNBRUFGSGTKP-HJPURHCSSA-N 349.474 4.424 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1-n1nc(C(F)(F)F)cc1C1CC1 587637472 JUCOXNGWIHRFJM-UHFFFAOYSA-N 349.312 4.256 0 1 EIAF CCOc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1C 587777693 CUMZHVBJNBXVJZ-UHFFFAOYSA-N 347.212 4.405 0 1 EIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962633250 SXMKLOLMNXKLEA-YCRPNKLZSA-N 325.452 4.152 0 1 EIAF CO[C@H](c1nc(SC(C)C)nc(O)c1C)c1c(F)cccc1F 1857551807 HBZMULNHSVXVKW-AWEZNQCLSA-N 340.395 4.005 0 1 EIAF Nc1ncc(-c2ccc(CO)cc2)cc1-c1ccc(F)c(Cl)c1 1857603968 APKXNFZURRZQLV-UHFFFAOYSA-N 328.774 4.283 0 1 EIAF CCc1nn2c(C(F)(F)F)cc(C)nc2c1-c1ccc(OC)cc1 1857748853 QOARDHPCLIAPPC-UHFFFAOYSA-N 335.329 4.295 0 1 EIAF CCc1cc2c(c(OC)c1OC)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 2356690071 KYSVYMLTWKHFOT-VTJXTGGHSA-N 344.451 4.332 0 1 EIAF CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1F 13451165 RVUFFTNXNWRPIG-UHFFFAOYSA-N 326.371 4.265 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)CC[C@]54C)[C@@H]2CC[C@@H]13 26468020 TYCYEAVFQIHORZ-TWEATFRLSA-N 328.452 4.060 0 1 EIAF O=C(O)COc1ccc(-c2noc3ccccc23)c(Cl)c1Cl 27518566 ALUBRWOSAXOXKX-UHFFFAOYSA-N 338.146 4.265 0 1 EIAF Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1 28527133 RHQSHURJTZGWHN-UHFFFAOYSA-N 331.419 4.425 0 1 EIAF Clc1ccccc1-c1nc2c(NCCc3ccccn3)nccc2[nH]1 74457226 KMYHGHYBUACRJT-UHFFFAOYSA-N 349.825 4.328 0 1 EIAF CCOc1ccccc1CNc1cc(-c2cccc(OC)c2)ncn1 82161088 HIMSTKMLIFRWCR-UHFFFAOYSA-N 335.407 4.163 0 1 EIAF CC(C)Oc1ccc(-c2ccc(C(F)(F)P(=O)(O)O)cc2)cc1 96285001 NPYBGRZDDNMUFU-UHFFFAOYSA-N 342.278 4.368 0 1 EIAF O=c1cc(-c2cccc3c2oc2ccccc23)oc(N2CCOCC2)c1 101122227 YREPYLIFIQVESI-UHFFFAOYSA-N 347.370 4.043 0 1 EIAF in-vivo Oc1c2c(nn1-c1nc3ccc(F)cc3s1)CCc1ccccc1-2 101463410 ZQJUJMXDLRLPPN-UHFFFAOYSA-N 337.379 4.092 0 1 EIAF CC(=O)OC[C@]1(C)[C@H]2CC[C@@]34C[C@@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@]5(C)C4 102018207 ZPBBRJYUYLDTJN-QZRXDCOGSA-N 346.511 4.179 0 1 EIAF O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 166185435 GPBKCRZBCHZVHF-SAABIXHNSA-N 346.377 4.477 0 1 EIAF CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H]1[C@H]23 238777271 CHMFOVOONHFZLX-XOPFUANDSA-N 344.451 4.206 0 1 EIAF Nc1ncc(-c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)[nH]1 299826500 DIJOSQVXEKUADA-UHFFFAOYSA-N 347.205 4.218 0 1 EIAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023875 QYMPXPULFWJDIS-UHFFFAOYSA-N 348.431 4.055 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccnc(Cl)c2[nH]1 587027563 VRILIJZZYRRADZ-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2C1 587033752 LOLHJMFIOUNEGI-MRVPVSSYSA-N 330.384 4.254 0 1 EIAF COc1cccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587049038 NQGVHHBTSQSOGP-UHFFFAOYSA-N 343.814 4.486 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@H]4C(=O)O)-c1ccccc1C2=O 587101513 NYDBGWIKBSTYQB-QGZVFWFLSA-N 343.382 4.214 0 1 EIAF Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587123559 IXFSNPLNIZVBLZ-MFKMUULPSA-N 349.360 4.351 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(O)c1Cl)O2 587375400 MIUZOAQVKKUHBU-ZDUSSCGKSA-N 338.190 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc(Cl)c13)O2 587379141 GFSMBUSJIPYWNI-INIZCTEOSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(F)cccc1F)O2 587382174 PFABHHFSANIKSK-LJQANCHMSA-N 331.362 4.212 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CCCc5cccc1c54)[C@@H](C2)C3=O 587447070 KUWOHNLRTVPTEG-LEXZLQQCSA-N 332.399 4.162 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3o1)CC2=O 587485234 QUPGXOFIJLWSHK-FQEVSTJZSA-N 337.375 4.367 0 1 EIAF CCCCc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 587487273 WFPANUYOOJSWIQ-QGZVFWFLSA-N 328.412 4.117 0 1 EIAF O=C1C[C@@H](c2ncc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587504087 MJYBJJGEQOQCLZ-INIZCTEOSA-N 331.774 4.459 0 1 EIAF C[S@@](=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531208 GQQTZXODWXIUTL-YADARESESA-N 340.444 4.009 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc12 587602511 IHDVBLNRDQMCRK-SIKLNZKXSA-N 344.366 4.196 0 1 EIAF Cc1[nH]c2cccc(F)c2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587636945 QLCOFNXHAFXVQV-UHFFFAOYSA-N 337.310 4.061 0 1 EIAF Fc1c(F)c(F)c2[nH]c(COC/C=C/c3ccccc3)nc2c1F 587780983 NXOIAIIICFMAOV-QPJJXVBHSA-N 336.288 4.349 0 1 EIAF CSCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587843512 IPQFEUZWHWZGAH-YMTOWFKASA-N 332.282 4.307 0 1 EIAF Oc1nncc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951310 YGZPNLLXFMKXBN-KHPPLWFESA-N 330.347 4.021 0 1 EIAF CCCC/C=C/c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587965553 MUGRLQZYQSCJAQ-VOTSOKGWSA-N 337.217 4.315 0 1 EIAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(Cl)cc(Cl)c21 653895754 IMCBOUTYTCMSDX-UHFFFAOYSA-N 340.235 4.034 0 1 EIAF Cc1ccnc2c1CCN[C@]2(CC(=O)c1ccccc1)c1ccccc1 963068167 KBMNPOLRMSVZJT-HSZRJFAPSA-N 342.442 4.052 0 1 EIAF Cc1ccc2c(c1)[C@@]1(CC2)c2cccc(Br)c2CCN1C 963289283 LMELKPXSBZIWFM-LJQANCHMSA-N 342.280 4.435 0 1 EIAF CN(Cc1ccc(F)cc1)c1ccnc(C(=O)Nc2ccccc2)c1 1772571033 VZGOWNFJPMRPMY-UHFFFAOYSA-N 335.382 4.109 0 1 EIAF Cc1cc(C)c2c(N)c([C@H](O)c3ccc(F)c(Cl)c3)sc2n1 1857606495 GSNUOLPDGSSMCI-CQSZACIVSA-N 336.819 4.370 0 1 EIAF CCC=CC[C@@H](O)[C@H](O)CC=CCC=CCC=CCCCC(=O)O 2356345825 BLWCDFIELVFRJY-RTBURBONSA-N 336.472 4.158 0 1 EIAF COc1ccc([C@H](O)c2nc(-c3cccc4cccnc34)cs2)cc1 61906618 MVUYZJWJCGFZQA-IBGZPJMESA-N 348.427 4.449 0 3 EIAF Cc1cccc(C(=O)O)c1NC(=O)Nc1cccc(C(F)(F)F)c1 13531795 QLBNFCUZJVANCX-UHFFFAOYSA-N 338.285 4.356 0 1 EIAF CC1(C)C[C@@H](NC(=S)NCc2ccccc2)c2cc(F)ccc2O1 13608342 BFDJNFIUFOYSPC-MRXNPFEDSA-N 344.455 4.092 0 1 EIAF C=C([C@@H]1C(=O)OC[C@@H]1CC(=O)OC)[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]12C 14694722 AUGASOGXBNPTHZ-FRBLJADDSA-N 348.483 4.138 0 1 EIAF biogenic COc1c(OCC=C(C)C)c(OCC=C(C)C)cc2oc(=O)ccc12 14776110 JSVJAXZWBXFRRQ-UHFFFAOYSA-N 344.407 4.492 0 1 EIAF biogenic COc1ccc2c(c1)C(=O)c1c-2c(N2CCCCC2)nc2ccccc12 29056540 CAQZXIUSOUUFTI-UHFFFAOYSA-N 344.414 4.445 0 1 EIAF CC(C)c1cc([C@@]2(C(F)(F)F)NC(=O)N=C2O)cc(C(C)C)c1O 38343059 RIDRNDNMDLZPAW-OAHLLOKOSA-N 344.333 4.076 0 1 EIAF CC(C)(C)CCN1CCC(CNC(=O)c2cccc(Cl)c2)CC1 40957404 DGCIYURXAGZZSS-UHFFFAOYSA-N 336.907 4.218 0 1 EIAF CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(O)cc4)cc3)CN2C=C1 49803382 DTZMDSGZIVZADA-LJQANCHMSA-N 344.414 4.046 0 1 EIAF CC(=O)c1ccc([C@@H](O)CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 95581904 AGVJWBPGCIBHSN-IXYLRAAXSA-N 326.436 4.098 0 1 EIAF CC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1 96283055 VEIFRHMKIXVPLN-UHFFFAOYSA-N 335.860 4.412 0 1 EIAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2C)N3C)cc1 100728757 SUEIJSZDTKIXCI-BPBCIEFSSA-N 349.474 4.475 0 1 EIAF CC[C@]1(C(=O)NCCc2csc(Cl)c2)[C@@H](C)C1(Cl)Cl 103296628 NWCZRMFAJBBUKH-PRHODGIISA-N 340.703 4.280 0 1 EIAF CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C 168468976 YZYKPCGSVJQAAW-BBRMVZONSA-N 347.418 4.381 0 1 EIAF O=C1CN=C(c2ccc(Cl)cc2Cl)c2cc(Cl)ccc2N1 169332888 OZTNZVJFNYQFMG-UHFFFAOYSA-N 339.609 4.436 0 1 EIAF Cc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1 169705970 XMVFWKXNUJLUSE-UHFFFAOYSA-N 341.374 4.373 0 1 EIAF C[C@H](O)CCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 238776933 PEFWBBUDWGQYCT-ZDVXLHJBSA-N 336.472 4.158 0 1 EIAF Cc1cc2nc(CCc3cccc(O)c3)[nH]c2cc1Br 586897113 RFZQAQGDKOFFLD-UHFFFAOYSA-N 331.213 4.125 0 1 EIAF CCO[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993187 UPXUNUBBIIULAZ-LBPRGKRZSA-N 345.398 4.046 0 1 EIAF Cc1ccc2c(ccc3[nH]c(C(=O)Nc4ccccc4Cl)nc32)n1 587060942 XBQDFKGRCYMZDF-UHFFFAOYSA-N 336.782 4.325 0 1 EIAF Fc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F 587077283 UQOMIYWXXOEWIB-ZDUSSCGKSA-N 333.725 4.112 0 1 EIAF Cc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1C 587080142 AQYWECAAOZWVDO-UHFFFAOYSA-N 327.815 4.434 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2ccc(F)c(Br)c2[nH]1 587134327 NLNOTAIHLYEJCX-UHFFFAOYSA-N 343.102 4.115 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(N)cc1F 587136116 KEAVWMIZPXGEAL-UHFFFAOYSA-N 339.374 4.005 0 1 EIAF COc1ccc(Cc2nc3ccc(Br)cc3[nH]2)c(F)c1 587148427 HCACISOZIWTJSG-UHFFFAOYSA-N 335.176 4.064 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1 587162590 XJAYYNPQKKYDHP-GHMZBOCLSA-N 332.176 4.131 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc(F)c1Cl)[C@@H](C2)C3=O 587424985 ZOPCSCMDGKKCJN-APPDUMDISA-N 336.721 4.116 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccs2)N1 587854988 UYUVCGXYNRBUQT-RTHLEPHNSA-N 326.234 4.273 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C)cc1 587868970 YNIIKWDAEMZOKW-UHFFFAOYSA-N 333.313 4.270 0 1 EIAF COc1ccc2[nH]c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2c1 587876522 SUZJWFDTGNDNLE-UHFFFAOYSA-N 349.321 3.973 0 1 EIAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1ccc(C)cc1 653781751 SSBPNNCZRVWAAQ-QFIPXVFZSA-N 343.430 4.483 0 1 EIAF CCO[C@H](C=Cc1ccccc1)C[C@H](O)CCc1ccc(O)cc1 2356466483 IADMDBFYOJAYAV-NHCUHLMSSA-N 326.436 4.194 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@H]1C 2356590509 QJKGZNSDXBIUKZ-YSEFQWNVSA-N 332.440 4.108 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@H](C(=O)O)[C@@]21C 2356625066 YOHUCVRCSMMGNP-AADOQKPJSA-N 346.423 4.202 0 1 EIAF C[C@@H]1C[C@H](O)[C@H](C)[C@]12CCC1=C2C[C@]2(C)CC[C@](C)(C(=O)O)[C@@]12C 2356791709 IXCQNXRKDUGZGO-MXWAKUBMSA-N 332.484 4.401 0 1 EIAF Cc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3C)C2)s1 12202914 FKESSBRNPVWFLH-HXUWFJFHSA-N 329.509 4.182 0 3 EIAF COCc1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 61926130 YXRHBMUVDNFJHU-KRWDZBQOSA-N 347.386 4.316 0 3 EIAF CN(Cc1ccco1)c1ncncc1-c1ccccc1C(F)(F)F 4239327 KPTNZRIVAJCXMS-UHFFFAOYSA-N 333.313 4.392 0 1 EIAF c1cnc2c(OCCNCCCc3c[nH]c4ccccc34)cccc2c1 13581098 IRZUEVZANGAMPR-UHFFFAOYSA-N 345.446 4.317 0 1 EIAF COC(=O)c1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1 14964295 UCZHLSRSQKTIHN-UHFFFAOYSA-N 346.456 4.007 0 1 EIAF CO[C@@]12C/C(C)=C/CC[C@@]3(C)[C@H]4CC[C@](C)(O4)[C@@H]3CC1=C(C)C(=O)O2 39093613 XSSYRWDNKNIHHM-NBVJSWELSA-N 346.467 4.297 0 1 EIAF Cc1[nH]ncc1-c1ccc2nc([C@@H]3COc4ccccc4C3)oc2c1 40380651 FGGOJUZSNJUKEG-HNNXBMFYSA-N 331.375 4.245 0 1 EIAF CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(CC(=O)O)CCC[C@]21C 40950156 QMTZBWPBIQZLBJ-DZFGPLHGSA-N 330.468 4.399 0 1 EIAF CCN(C(C)=O)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 49785439 VMJCLQJBRYQRGX-QRWLVFNGSA-N 336.435 4.035 0 1 EIAF CN(c1ccc(OC(F)(F)F)cc1)c1cc(-c2ccncc2)ncn1 64527413 GXGOXRMMPIGEOG-UHFFFAOYSA-N 346.312 4.205 0 1 EIAF CC(C)(C)OC(=O)CN(Cc1ccncc1)Cc1ccc(Cl)cc1 84689540 VWHAEOUYCJNNQW-UHFFFAOYSA-N 346.858 4.079 0 1 EIAF O=C(Nc1ccnc(Oc2cccnc2)c1)c1cccc(Cl)c1 96175607 IYNVOAAUJXLNOD-UHFFFAOYSA-N 325.755 4.175 0 1 EIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccs1 102583904 HWHDKKWQNIKUFU-GFCCVEGCSA-N 345.449 4.180 0 1 EIAF CC(C)NC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 103259400 BMXGJFMTKIAHNT-UHFFFAOYSA-N 330.775 4.073 0 1 EIAF CC(=O)Oc1ccc([C@H](OC(C)=O)c2cccc3ccccc23)cc1 139317358 HZUMKBDKBMMTJJ-NRFANRHFSA-N 334.371 4.418 0 1 EIAF CCCn1ccc2c(NCCc3cccc(OC)c3)cccc2c1=O 169329894 MRSVRCGKKOIUTM-UHFFFAOYSA-N 336.435 4.075 0 1 EIAF CCC(=O)[C@H]1O[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 238760073 HYQRWBLNVVMQFF-LCLWPZTBSA-N 334.456 4.111 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@@H]1OC(=O)C(C)C 238779057 HVFJSBZJDKFFKY-ZVZYQTTQSA-N 334.456 4.056 0 1 EIAF CCCCC1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 586884058 JRXIFKMYJUXFQL-UHFFFAOYSA-N 327.428 4.358 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 586915465 DKEKNCAXBMGZQO-BLVKFPJESA-N 342.345 4.058 0 1 EIAF COc1cc(OC)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587023094 DPNAPXTZHZUCAS-UHFFFAOYSA-N 343.433 4.432 0 1 EIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnncc4[nH]3)c21 587030321 CPMWRIUNWHOXOC-LLVKDONJSA-N 335.436 4.312 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cncnc1CC3 587107501 TVOTUKAQSMRVPB-UHFFFAOYSA-N 335.366 4.002 0 1 EIAF COc1c(F)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1F 587134183 BAMBHMFBAJRRDH-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF N=C(N)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587152895 GKXGKFHDDCULMB-UHFFFAOYSA-N 330.366 4.320 0 1 EIAF Cc1ccc2c(ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c32)n1 587163798 TVFNSLCSTRHCJT-UHFFFAOYSA-N 333.366 4.374 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c32)n1 587166663 FZBBFHITVIMRNE-KHPPLWFESA-N 346.365 4.211 0 1 EIAF CC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)-c3cccc1c32 587213718 ZNHGMVCTBCLRAD-AWEZNQCLSA-N 326.399 4.007 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(Cl)cc1F)O2 587380702 BUYNROHDAYNGDC-KRWDZBQOSA-N 337.753 4.389 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C)c1OC(F)F)O2 587381550 GSIVYYGPPOYYTR-OAHLLOKOSA-N 333.334 4.194 0 1 EIAF Cc1nc2sccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587537069 ADHKSXXENDUYNP-INIZCTEOSA-N 338.432 4.290 0 1 EIAF CC[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1cc(Cl)cn1 587874401 YYLOTCYFCWJOEP-CYBMUJFWSA-N 346.749 3.936 0 1 EIAF Nc1cccc2c1CC[C@]21NCCc2cccc(-c3ccccc3)c21 962666775 LARSBCAWAQKBHP-QHCPKHFHSA-N 326.443 4.271 0 1 EIAF CC1=C(Cl)[C@@H](c2ccc(F)cc2Cl)NC(c2ccccn2)=N1 1772633148 FNCIGPDXTUHJJV-OAHLLOKOSA-N 336.197 4.436 0 1 EIAF COC(=O)C1=CC=C[C@@H]2[C@](O)(CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 2356644249 YNSMEBFHPSTPJP-KYPFXXDHSA-N 344.451 4.055 0 1 EIAF CC(C)C[C@@H]1O[C@H](CCc2ccccc2)Cc2[nH]c(=S)[nH]c(=O)c21 95567145 HTSNLJCTBILIST-ZBFHGGJFSA-N 344.480 4.094 0 3 EIAF Cc1cccc(-c2ccc3c(c2)[C@@H]2C[C@H]4[C@@H](CN2CC3)[C@H](C)ON4C)c1 199739922 OTCZCRIQJPQQMM-KKPKCPPISA-N 348.490 4.215 0 3 EIAF CC(=O)Nc1ccc(C[P@@](=O)(O)O[C@H](C)c2ccccc2)cc1 53683217 YPTMOJMDCPUCJT-CYBMUJFWSA-N 333.324 4.108 0 1 EIAF in-vivo OC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccc(Cl)c1 64415644 JHGFCWOZQNIVGW-WOJBJXKFSA-N 329.871 4.471 0 1 EIAF in-vivo COc1ccccc1CNc1cc(Oc2ccccc2F)ncn1 82068305 GHYJGYVEKQPYKP-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF Cc1cc(-c2ccc(C(=O)O)cc2)c(O)c(-c2ccc(C(=O)O)cc2)c1 95581539 QEBLGEJAAYWQKK-UHFFFAOYSA-N 348.354 4.431 0 1 EIAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)Nc2ccc3snnc3c2)C1 100304912 YPQNGCWYTIJSRE-PXAZEXFGSA-N 330.457 4.124 0 1 EIAF CC(C)(C)C(=O)OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32 100909318 SHHWJFWQYLCSAZ-FPYWWQDQSA-N 345.508 4.204 0 1 EIAF COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@@H]1O2 101501190 DHGOPWYNAIGSII-HOCLYGCPSA-N 326.417 4.293 0 1 EIAF CCc1nn(C)c(C(=O)NCc2ccc([C@H](C)CC)cc2)c1Cl 103189218 GBBWDFINKXGYEJ-GFCCVEGCSA-N 333.863 4.079 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 169704931 ROOFFAWDIFZLQB-UKRRQHHQSA-N 338.386 4.160 0 1 EIAF CC[C@H]1CNC(=O)c2cc(-c3cccc4ccc(Cl)nc34)[nH]c21 222328568 BWVXJRCNKNGHQO-JTQLQIEISA-N 325.799 4.120 0 1 EIAF Cc1cc(Cc2nc3ccnc(Cl)c3[nH]2)ccc1Br 586977018 LUOUDGBVNMFUBI-UHFFFAOYSA-N 336.620 4.273 0 1 EIAF CC1(C)[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]21 586989774 DYUXGVJTKFXRIV-YJYMSZOUSA-N 327.383 4.448 0 1 EIAF CN(C)c1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)nc1 587194850 PICSPLNDLCQAJS-UHFFFAOYSA-N 344.418 4.270 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc4[nH]cc(Cl)c14)[C@@H](C2)C3=O 587419443 DZSSUACMHTUBMM-BUXKBTBVSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)nc(C)c1)CC2=O 587489928 WZFLKSZBQVMWFD-FQEVSTJZSA-N 325.408 4.237 0 1 EIAF O=C1C[C@@H](c2cccc3nccnc23)Oc2c1ccc1c2CCCC1 587528349 XSBOXUNAOFMRAW-IBGZPJMESA-N 330.387 4.215 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)[nH]1 587588443 KPPIHPAIIPOBSC-YLJYHZDGSA-N 335.359 4.040 0 1 EIAF O=C(O)c1cccc2c(C(=O)C(F)F)c(-c3ccc(F)cc3)[nH]c12 587637182 DFQRXFIOHSWSEJ-UHFFFAOYSA-N 333.265 4.120 0 1 EIAF Cc1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Cl)c1 587651500 VJPLFDGBQQJUNQ-UHFFFAOYSA-N 348.189 4.092 0 1 EIAF CCOc1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1C 587777849 GAXOENZYOWTRQT-UHFFFAOYSA-N 332.201 4.095 0 1 EIAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794924 WNDGSDSKJQPGDB-HWPZZCPQSA-N 337.236 4.157 0 1 EIAF COc1ccc(OC)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1OC 587926860 RFFSVOASVMFIBC-UHFFFAOYSA-N 336.750 4.048 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587938186 UIAUUVYQTATWFH-ZUOKHONESA-N 336.435 4.287 0 1 EIAF COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)c2)c1 1772645943 ACAPPVZXNGABBJ-UHFFFAOYSA-N 348.402 4.391 0 1 EIAF COc1ncc(C[S@](=O)C(c2ccccc2)c2ccccc2)s1 1857604677 VFUVDEGVTTXPQK-QHCPKHFHSA-N 343.473 4.190 0 1 EIAF CC[C@@H](O)/C=C/C=C\C[C@@H]1C[C@@H]1C/C=C\C=C\[C@@H](O)CCCC(=O)O 1857643912 JOZYAAOQAUEVRO-HZUZKJDASA-N 348.483 4.014 0 1 EIAF O=C(O)c1cc(Cc2ccccc2)cc(NC(=O)c2ccccc2)c1 1857650037 QAZNQLMOCIWCIO-UHFFFAOYSA-N 331.371 4.228 0 1 EIAF COc1ccc(-c2csc([C@](C)(O)c3ccccc3)n2)cc1OC 61902372 LMRJSPBHEVVYOS-LJQANCHMSA-N 341.432 4.083 0 3 EIAF COc1ccc2c(c1)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2 3814274 COHVPSBMXDXOIU-HXUWFJFHSA-N 349.474 4.353 0 1 EIAF Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc(-c2cccc(Cl)c2)no1 9721942 WPMFIYWHQGEADQ-SECBINFHSA-N 344.802 4.077 0 1 EIAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccc(Cl)cc3N2O1 13437079 JTLCTTWVUAIQHD-LPHOPBHVSA-N 328.843 4.057 0 1 EIAF O=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1 13679789 VRBHQDUOTOPSLA-UHFFFAOYSA-N 332.355 4.337 0 1 EIAF in-vivo Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccn3)nc(N)c12 13835469 MZOADAZJYZQOOJ-OAHLLOKOSA-N 343.434 4.302 0 1 EIAF O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 14978978 DYTMZTWHJZNJMP-UHFFFAOYSA-N 334.213 4.078 0 1 EIAF CCCCCCc1c(C)c2ccc(OC(=O)N(C)C)cc2oc1=O 26483262 LIISHLVRPNCPFA-UHFFFAOYSA-N 331.412 4.285 0 1 EIAF COc1c(C)cc(N2C(=O)/C(=C\N(C)C)c3ccccc32)cc1Cl 27517310 VUICTDOXNGRLHI-PTNGSMBKSA-N 342.826 4.238 0 1 EIAF COc1ccc2c(c1)[C@H](CCNC(C)=O)[C@@H](Cc1ccccc1)CC2 40916749 JRFAYRRRAZMFGT-TZIWHRDSSA-N 337.463 4.110 0 1 EIAF C[C@H]1C[C@@H](C)c2nn(C)c(C(=O)NCc3ccc(C(C)(C)C)cc3)c21 103182161 JLDWDDXDELGCMI-UONOGXRCSA-N 339.483 4.258 0 1 EIAF O=C1CCN([C@@H]2CCCC[C@@H]2OCc2c(Cl)cccc2Cl)C1 142324303 WGXAQCYMUFQJSA-SJORKVTESA-N 342.266 4.096 0 1 EIAF C[C@H](c1ccccc1)N(C)C(=O)Nc1nc(-c2ccncc2)cs1 169323192 FSEYAVOCUCTBIZ-CYBMUJFWSA-N 338.436 4.430 0 1 EIAF NC1=N[C@@H](CCc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)CO1 169701154 JCRXWIJVSZNNMJ-INIZCTEOSA-N 349.356 4.095 0 1 EIAF CC(=O)Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1 203681060 KOYLEIRRBPUMKB-UHFFFAOYSA-N 334.404 4.052 0 1 EIAF CCC(=O)[C@@H]1C(=O)CC[C@H](c2cccc(Oc3ccccc3)c2)C1=O 231261365 PEPODUYJUFJZLV-YLJYHZDGSA-N 336.387 4.090 0 1 EIAF CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 299819532 DXPXPTSTQIBWMJ-BONJLBFOSA-N 336.472 4.270 0 1 EIAF CN1C[C@](O)(c2ccc(C3CCCCC3)cc2)O[C@H]2CCCC[C@@H]21 473119346 ASKGIKIBLKGDPF-PCCBWWKXSA-N 329.484 4.153 0 1 EIAF Nc1ccc(-c2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)cc1N 586905641 XKFKNDFBHZKIIO-UHFFFAOYSA-N 330.391 4.143 0 1 EIAF COc1cncc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c12 587013283 RPKMXVJCKBZJPS-UHFFFAOYSA-N 336.420 4.374 0 1 EIAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083805 MYYXUQVPBNQRRQ-UHFFFAOYSA-N 348.793 4.044 0 1 EIAF Cc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167179 ONYWWJQASGAOSI-SREVYHEPSA-N 329.762 4.316 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587169004 PWLPGNNKIZWPLH-LLVKDONJSA-N 328.343 4.003 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1nccs1)[C@@H](C2)C3=O 587454377 WTTXFCFCSOEUPL-KXBFYZLASA-N 349.411 4.307 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4occ(C)c41)[C@@H](C2)C3=O 587455714 POHIINLWSPASCM-QKKBWIMNSA-N 338.403 4.212 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cn(CC)nc1C)CC2=O 587479059 YARKYTVITJJBIO-HXUWFJFHSA-N 342.439 4.140 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3ccccn3c1)CC2=O 587488644 RIXGPIGZACSAFA-OAQYLSRUSA-N 335.403 4.478 0 1 EIAF Cn1cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 587517231 JMGMAIUXRMGDJA-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF CCC[C@]1([C@@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522793 HSZMPCLQMQGQQY-LHSJRXKWSA-N 344.451 4.269 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2Cl)N1 587701799 XUDOCTGKAWYNIG-CPFSXVBKSA-N 343.627 4.193 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2F)N1 587726536 JYTJBQPNHQAAHM-JDNHERCYSA-N 338.195 4.351 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587789335 CWXCDUPXTAXBBK-BCTVWOGZSA-N 337.236 4.157 0 1 EIAF CC(C)OCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587791615 KFBBDHDTSCNNCT-BZNIZROVSA-N 344.268 4.153 0 1 EIAF CC[C@]1(CSC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848524 XBBOSAAMIYDOAD-LKFCYVNXSA-N 332.282 4.091 0 1 EIAF COc1ccc2c(c1OC)[C@H](c1cc(Cl)cnc1C)N(C)[C@H](C)C2 962627230 LBCAEZFSONJGCY-ZMZPIMSZSA-N 346.858 4.026 0 1 EIAF COc1ccc2c(c1OC)[C@@H](c1nccc3ccccc13)N(C)[C@H](C)C2 962635582 LYIUQUMATDSLNQ-SZNDQCEHSA-N 348.446 4.218 0 1 EIAF C=C(/C=C/c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1772584489 PXOQVEQCRBTNIC-VOTSOKGWSA-N 341.407 4.030 0 1 EIAF Cc1ccc(-n2[nH]c(C)c(/C=C3/C=Nc4ccccc43)c2=O)cc1C 103899641 NWCTYYOKJWDRQY-WJDWOHSUSA-N 329.403 4.347 0 3 EIAF Cc1cc(OCc2noc(-c3ccc4c(c3)OCO4)n2)ccc1Cl 6747903 XWBXESFIZYIMLT-UHFFFAOYSA-N 344.754 4.006 0 1 EIAF CCCc1c(O[C@@H](C(=O)O)c2ccccc2)ccc(C(=O)CC)c1O 13539284 DODWBMIJOZXJPP-LJQANCHMSA-N 342.391 4.142 0 1 EIAF CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CN1CCCCC1 13600262 QGJKYUARWVPLIT-QFIPXVFZSA-N 333.479 4.106 0 1 EIAF C[C@@H](c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2 28010307 PTKRTEFVBRMDQU-HNNXBMFYSA-N 335.426 4.286 0 1 EIAF Clc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccccc3)O2)cc1 28770223 GNKNXEUGOUKHKP-MOPGFXCFSA-N 340.810 4.178 0 1 EIAF CN1CC[C@@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3[C@@H]1C2 36215686 JNYHIUUHNNPPEZ-FCHUYYIVSA-N 330.431 4.201 0 1 EIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 95597009 CPJMEEZDGWZNFW-UHFFFAOYSA-N 341.476 4.013 0 1 EIAF Cc1cccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755491 IPGVYNFWDXLHLW-UHFFFAOYSA-N 328.393 4.184 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1cccc(OC)c1 169299049 IQFCWDUVQCSBGP-JBPLPALLSA-N 334.415 4.395 0 1 EIAF CCCCC/C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)CCCC(=O)O 169622082 GVBURXXHWSCJSI-ZZHGHEOFSA-N 336.472 4.158 0 1 EIAF in-vitro C/C=C(/C)C(=O)OC/C=C/c1ccc(OC)c(OC(=O)/C(C)=C\C)c1 238748164 JUGBCMCFZICEBB-VJFCEBIRSA-N 344.407 4.089 0 1 EIAF COc1cnc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1Cl 587064239 GAFWAAUZYFWBDY-UHFFFAOYSA-N 345.683 4.445 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2cnc(C(F)(F)F)cc2[nH]1 587071718 MVYYVNSXGJWNSS-UHFFFAOYSA-N 339.704 4.056 0 1 EIAF FC(F)(F)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1 587081081 RGQNCKKXNSKQDA-GFCCVEGCSA-N 339.704 4.306 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587081189 UNSHGQJUYTYKJG-GFCCVEGCSA-N 339.704 4.306 0 1 EIAF C[C@H](F)[C@@H](N)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587122796 GUNFIRDSRMMNAM-BJOHPYRUSA-N 326.400 4.197 0 1 EIAF Cc1cc(Cl)c(C)c(-c2ccc3c(O)nc(O)nc3n2)c1Cl 587368296 GIKJLBHDMRAMGP-UHFFFAOYSA-N 336.178 4.027 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1C1CCCCC1)[C@@H](C2)C3=O 587432578 WRJYBWXBSXVGEV-KKSFZXQISA-N 337.419 4.491 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(C)c1)CC2=O 587492029 VXPGVRONBKJISO-HNNXBMFYSA-N 325.408 4.015 0 1 EIAF O=C1C[C@H](c2ccnn2-c2ccccc2)Oc2c1ccc1c2CCCC1 587517844 WDCHMOWMJVBOHP-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF CCC(=O)C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813956 RFINVWMVFSEUOI-QFYYESIMSA-N 342.252 4.097 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc32)N1 587818956 SZCNRGNOKGUMIV-ADLMAVQZSA-N 346.243 4.312 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1cc(F)ccc1N(C)C1CC1)NCC2 962296211 FOBPYVPNCYOSDM-FQEVSTJZSA-N 328.406 4.107 0 1 EIAF COc1ccc2c(c1OC)[C@@H](c1cc(Cl)cnc1C)N(C)[C@H](C)C2 962627220 LBCAEZFSONJGCY-ADLMAVQZSA-N 346.858 4.026 0 1 EIAF CN1CCc2c(Br)cccc2[C@@]1(c1ncco1)C(C)(C)C 963278991 DGFQHVROCYWOSG-QGZVFWFLSA-N 349.272 4.215 0 1 EIAF NC1=C2CCN(C3CCCCC3)[C]2Nc2ccc(Br)cc21 2356491524 KTBJDGTYNBZESK-UHFFFAOYSA-N 347.280 4.072 0 1 EIAF C[C@@]1(Cc2ccc(F)cc2)C(=O)Nc2ccc(-c3cccnc3)cc21 61903728 IOHDDCHUSKABRS-NRFANRHFSA-N 332.378 4.340 0 3 EIAF Cc1ccc(O)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 26392284 HCVVWDIMNNOLIE-UHFFFAOYSA-N 326.787 4.137 0 1 EIAF CC(C)CN1C(=O)CS[C@@H]1c1cnccc1-c1ccc(F)cc1 28819578 NCFCQIGEUMBKGQ-GOSISDBHSA-N 330.428 4.118 0 1 EIAF CN(C)CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29128320 XVEDKZVZEARJTI-VWNXMTODSA-N 346.518 4.326 0 1 EIAF Cc1cc(OCc2ccccc2)cc(N2C(=O)c3ccccc3C2=O)c1 36352025 QNDFQLLUCBUAFN-UHFFFAOYSA-N 343.382 4.375 0 1 EIAF CCn1c2ccncc2c2cc(NC(=O)c3ccccc3O)ccc21 40834541 BVNNVTRVMXNIRF-UHFFFAOYSA-N 331.375 4.167 0 1 EIAF S=c1oc(Cc2cccc3ccccc23)nn1CN1CCCC1 49051636 NIUBQISYAKPDDW-UHFFFAOYSA-N 325.437 4.003 0 1 EIAF NCc1ccc(Oc2ccc(-c3ccccn3)cc2O)c(Cl)c1 58631463 ANDLXIQDWFGHEE-UHFFFAOYSA-N 326.783 4.359 0 1 EIAF in-vitro O=C(c1ncco1)[C@@H]1CCc2cc(OCc3ccccc3)ccc2C1 71319226 ZYMUPRXSYFAWSN-GOSISDBHSA-N 333.387 4.241 0 1 EIAF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)oc1C 82164320 MFIQDFRQWLQLNI-UHFFFAOYSA-N 338.386 4.376 0 1 EIAF O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)C1CCCCC1 95563972 DBBVGZKEJUDYAH-UHFFFAOYSA-N 347.418 4.109 0 1 EIAF NC(=S)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc2ccccc12 95581680 NPKZOJCZCANPQC-LJQANCHMSA-N 349.434 4.374 0 1 EIAF CC[C@H](Cc1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251332 DXXYZQHCMYWYJO-LJQANCHMSA-N 345.508 4.220 0 1 EIAF Clc1cccc(-c2nc(-c3nc4cnncc4[nH]3)cs2)c1Cl 587015348 MXIVVQBNLRZMFD-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 587069338 IERNFRLZVZSFIE-LLVKDONJSA-N 328.799 4.085 0 1 EIAF Fc1c(F)c(F)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1F 587081754 ZWUDGKOCHDDQTG-MRVPVSSYSA-N 342.679 4.449 0 1 EIAF Nc1ccnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587123594 DXWFKKGLUUTIFD-UTCJRWHESA-N 336.342 4.322 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2cc(F)c(F)cc2[nH]1 587229078 NDJGJRSLYAWHFT-UHFFFAOYSA-N 331.366 4.203 0 1 EIAF Cc1ccc(CCc2nc3cc(Br)cc(C)c3[nH]2)cc1N 587251088 XZRDTCLZGVDCLP-UHFFFAOYSA-N 344.256 4.310 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC3CC3)c(C)c1)O2 587399953 OADNUUCDBCFMEV-FQEVSTJZSA-N 337.419 4.381 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C(C)C)c1C)[C@@H](C2)C3=O 587431315 NRNFICAVTHHHFU-JXFKEZNVSA-N 325.408 4.183 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(C)C)c1)[C@@H](C2)C3=O 587440787 AZCSCCHHBBSQDM-HRAATJIYSA-N 338.403 4.316 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(O)c(F)c1)CC2=O 587466425 LQODDRNFLIYKBJ-FQEVSTJZSA-N 344.382 4.460 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1cnn(CC)c1C)CC2=O 587478952 XDLBINUSRDYWGU-FQEVSTJZSA-N 342.439 4.140 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)([C@H]1CCCNC1)CC2=O 587484776 NPETTWOGLNCXFO-YCRPNKLZSA-N 345.483 4.094 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3cccc(C)n13)CC2=O 587488006 GESVDQZCYMVHQP-GOSISDBHSA-N 336.391 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1C)CC2=O 587489417 NOJLEINQIGKROC-GOSISDBHSA-N 340.375 4.058 0 1 EIAF Cc1c[nH]c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587525592 OAUFBRAGZXFXPF-IBGZPJMESA-N 332.403 4.457 0 1 EIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587772946 PTYRRUPHPAVKOV-APPDUMDISA-N 349.247 4.089 0 1 EIAF CCOc1ccccc1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587779864 HFNJIOILECJIAD-UHFFFAOYSA-N 340.276 4.097 0 1 EIAF Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)O2 653865384 ZHOSBMNCIFOAEH-SJBKTWHCSA-N 342.398 4.191 0 1 EIAF O=C(O)c1cccc2c1CCN[C@]21CCC[C@@H]1c1ccccc1Cl 963124470 QXQCRJWIUOPIKD-YLJYHZDGSA-N 341.838 4.347 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@H](O)[C@@H]1CCCCCCC(=O)O 2356711967 HYBPXYQCXNOTFK-HCXYKTFWSA-N 340.504 4.296 0 1 EIAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCCC(=O)C1 2356795215 LSHDKABVPJCRGL-UGKANONSSA-N 334.500 4.186 0 1 EIAF COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(Cl)c(Cl)c2)n1 61895766 ALBXCBCCLDGLKM-INIZCTEOSA-N 349.217 4.474 0 3 EIAF CCCCC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1CCC 205712331 VFMSBZAJLYDWLF-OEMYIYORSA-N 348.531 4.033 0 3 EIAF COc1ccc([C@@H]2COc3cc(O)ccc3C2)c2c1C=CC(C)(C)O2 15251839 MPNLCWDBGXOCFP-AWEZNQCLSA-N 338.403 4.304 0 1 EIAF biogenic C[C@H](NC(=S)Nc1ccc(Br)cn1)C1CCCCC1 26186021 WMMABLBMGCIGSP-JTQLQIEISA-N 342.306 4.099 0 1 EIAF CCCCCCNC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 26499366 ZDJZFDUXRZUEIT-UGYLWHJMSA-N 337.504 4.151 0 1 EIAF Oc1n[nH]c(C(F)(F)F)c1Cc1ccc(SC(F)(F)F)cc1 27305030 RQFSNZJHBWPCRR-UHFFFAOYSA-N 342.264 4.337 0 1 EIAF CCCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 27441766 VGUKOKATWNDEOI-SYAJIYQZSA-N 343.511 4.307 0 1 EIAF COc1cc(OC)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 28568365 ZMEVHLZQVRWHBJ-UHFFFAOYSA-N 349.818 4.236 0 1 EIAF CSc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1 28572521 HKJOROBKAQGBIU-UHFFFAOYSA-N 333.420 4.281 0 1 EIAF C[C@@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CCCN(C)C 28770798 RYUKJZOXLVPYBF-MRXNPFEDSA-N 349.478 4.130 0 1 EIAF Cc1cccc(C)c1N(C)C(=O)c1ccc(-c2cc(O)ccc2O)o1 71334034 YUXWTKMWDOQEGE-UHFFFAOYSA-N 337.375 4.251 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]12 100780661 YQNLDLVKFNZFTI-KKDMEDJGSA-N 332.440 4.105 0 1 EIAF endogenous,in-man CN[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1 101437311 OEGLZFKWQUORTQ-PUZFROQSSA-N 330.516 4.187 0 1 EIAF Cn1cc(-c2ccccc2)nc1CSc1nc2ccccc2n1C 113421843 IONAEVUBPPJDJP-UHFFFAOYSA-N 334.448 4.266 0 1 EIAF c1ccc(Nc2ccc(Oc3nccnc3NCC3CC3)cc2)nc1 139133865 GLTISMKGQAZAKU-UHFFFAOYSA-N 333.395 4.229 0 1 EIAF CC/C=C\C/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1CC=CCCCC(=O)O1)OC 253666945 QXHLHGKKWDCOOY-WKXCXJGHSA-N 348.483 4.263 0 1 EIAF CC[C@H](C)c1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2nc1O 299887503 YZEGVKBKEDNAEA-DZKIICNBSA-N 340.471 4.403 0 1 EIAF CN1C[C@](O)(c2ccc(C3CCCCC3)cc2)O[C@@H]2CCCC[C@H]21 473119344 ASKGIKIBLKGDPF-NJDAHSKKSA-N 329.484 4.153 0 1 EIAF CC(C)c1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c(C(C)C)c1 586895919 CFZKWCBAMMNTOQ-UHFFFAOYSA-N 336.439 4.466 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586914693 XSTWLWDNECSPIG-CBAPKCEASA-N 344.640 4.046 0 1 EIAF Clc1ccc(-c2cnccc2-c2nc3nc(Cl)ncc3[nH]2)cc1 587073761 LRUPERKUKXJWFI-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF Cc1cc(Br)cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c12 587079065 FVXMBOWHNJTXJU-QMMMGPOBSA-N 339.624 4.093 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4ccc(Cl)cc4[nH]3)c2)cc1 587165367 SJGLYPZTJROCNM-UHFFFAOYSA-N 326.762 4.267 0 1 EIAF Oc1ccc(Br)c2c1-c1nc3cccc4c3c(c1C2)CC4 587207149 CAIVKMGPMCSKDJ-UHFFFAOYSA-N 338.204 4.373 0 1 EIAF CCc1ccccc1NC(=O)c1nc2c(Cl)ncc(Cl)c2[nH]1 587240702 HXUAKCQHOBCMGL-UHFFFAOYSA-N 335.194 4.079 0 1 EIAF CCn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587431034 LQOJMBBGLRACGG-ZHRRBRCNSA-N 347.414 4.333 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587446674 CZVCCMSAWDUHIQ-QRFQSNJMSA-N 334.415 4.224 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCC(F)(F)F 587548612 ODTWXAOGRDDKHU-TZMCWYRMSA-N 338.281 4.065 0 1 EIAF Cc1cc(C)nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585453 DHWAAHNYMBOXCY-RXVVDRJESA-N 347.370 4.107 0 1 EIAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587589109 NMFJVVUQUHTDKZ-OXQOHEQNSA-N 335.359 4.040 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 587933001 SXULKMBTJNNHQJ-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF COc1ccc(F)c(CC2CCN(CCc3ccccc3)CC2)c1 1772608411 QSBHIFWAGYOGQY-UHFFFAOYSA-N 327.443 4.332 0 1 EIAF NC(=S)c1cccc(-c2ccc(CCC(F)F)c3nc[nH]c23)c1 1857580549 DXINIXHIXNPQFB-UHFFFAOYSA-N 331.391 4.062 0 1 EIAF Cc1cccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)c1 1857645510 LUZYYLKZWBFFLT-UHFFFAOYSA-N 331.375 4.276 0 1 EIAF COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356649063 YEXGDORSPJNFAG-OVQGTLEDSA-N 346.467 4.154 0 1 EIAF CCc1c(Cc2cccc(F)c2)ncn1CCc1ccccc1OC 198626907 NROWCBHKGAHUJG-UHFFFAOYSA-N 338.426 4.427 0 3 EIAF c1ccc2c(Nc3ccncc3)nc(-c3ccc4c(c3)OCO4)nc2c1 4258512 IGCGUEWRPBJQQD-UHFFFAOYSA-N 342.358 4.164 0 1 EIAF CN(C)CCNc1cc(-c2cccc(F)c2)nc2ccc(F)cc12 28639827 SKNKPXWFCCJSFB-UHFFFAOYSA-N 327.378 4.154 0 1 EIAF Oc1ccc(-c2nnc(-c3cc4ccccc4s3)s2)c(O)c1 28712205 AWMYVRGJTLUICD-UHFFFAOYSA-N 326.402 4.498 0 1 EIAF CC[C@H]1C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]2(C)[C@H]1O 28872238 NGUCYKOHBIYXJY-FRELGZRFSA-N 330.468 4.254 0 1 EIAF CC1(C)CC(=O)c2cc(-c3cncnc3)c(NC3CCCC3)nc2C1 28967911 IZXGYDCOOPDHKF-UHFFFAOYSA-N 336.439 4.048 0 1 EIAF CC(C)CC(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12 35190760 SQMOAJQKJQOMQD-UHFFFAOYSA-N 333.863 4.195 0 1 EIAF CCC(CC)N(Cc1ccccc1C(F)(F)F)C1CCNCC1 36093139 WZPMHSHOXSEHPH-UHFFFAOYSA-N 328.422 4.448 0 1 EIAF Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2F)cc1 43079293 HJIDXGXNZDKOPL-UHFFFAOYSA-N 341.411 4.051 0 1 EIAF Nc1nc(NC2CCCCC2)c(N=O)c(N2CCCCCCCC2)n1 95560875 RIUUSNJBAYOJBZ-UHFFFAOYSA-N 346.479 4.362 0 1 EIAF COc1c(C2=NO[C@@H](c3ccccn3)C2)ccc2c1C=CC(C)(C)O2 96142517 INEYUUJBBZUMOQ-GOSISDBHSA-N 336.391 4.140 0 1 EIAF COCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243491 BIIPRLCVVWNTNB-UHFFFAOYSA-N 346.766 4.008 0 1 EIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)n1 144362470 SSTBFMAOXFPFLB-UHFFFAOYSA-N 335.382 4.401 0 1 EIAF Cc1cccc(C)c1Cn1nc(C(C)C)c2ccc(CC(=O)O)cc21 205661813 CHZBOAVQOZQUER-UHFFFAOYSA-N 336.435 4.452 0 1 EIAF CN(C)[C@H]1[C@H](c2ccccc2)[C@H]2CC[C@H]1[C@@H](OC(=O)c1ccccc1)C2 253689952 RNZUABSIOANGLF-RTOMLYRKSA-N 349.474 4.356 0 1 EIAF OCc1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586895077 NRGKBDXUCKZGRI-UHFFFAOYSA-N 330.387 4.301 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2ccc(Br)nc2[nH]1 587011070 BTYJZZNQGCDTCD-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF CCc1cc(OCc2nc3cc(OC)c(OC)cc3[nH]2)ccc1Cl 587052463 BNHQRLZMVDDTMV-UHFFFAOYSA-N 346.814 4.375 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1 587160371 BTFKLHDCOAYTLA-WDEREUQCSA-N 332.176 4.131 0 1 EIAF C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358872 YVIVSGSXISNVLC-UYAOXDASSA-N 326.367 4.449 0 1 EIAF COc1ccc2c(c1)OC=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533749 UWWVBVHMOAQYDQ-QFIPXVFZSA-N 348.398 4.341 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2F)N1 587738473 ORMHDKBHKQEHML-DFKRKDTASA-N 330.216 4.230 0 1 EIAF COc1ccc(C[C@H](C)c2nc3cc(C)cc(F)c3[nH]2)cc1OC 587926672 NAEXRFQEHXOEHL-LBPRGKRZSA-N 328.387 4.374 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3ccc(F)c(F)c3[nH]2)cc1OC 587927336 SOXZTFXELDECSB-SNVBAGLBSA-N 332.350 4.205 0 1 EIAF O=S1(=O)C=Cc2ccc(Nc3ccc(C(F)(F)F)cc3)cc21 1174775258 OSWWVZLRYKLKCF-UHFFFAOYSA-N 325.311 4.207 0 1 EIAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2ccc(F)cc2)N1c1ccc2nc[nH]c2c1 1772580015 GFCRVUPHSAFWTR-MBOZVWFJSA-N 345.377 4.148 0 1 EIAF CCc1ccccc1-c1cccc2sc(CNCC(=O)O)cc12 1772616592 ZMWBONZSOYCDNM-UHFFFAOYSA-N 325.433 4.305 0 1 EIAF CC[C@H](C)C=C[C@@H]1c2ccoc2C[C@@H]2CO[C@H](CCC(=O)OC)C[C@H]21 2356323451 LBBXLAVURLOGQS-SEFVSHJNSA-N 346.467 4.496 0 1 EIAF CC(C)C[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](CCc2ccccc2)O1 95567190 BETNGNFLTVWULQ-SJORKVTESA-N 344.451 4.386 0 3 EIAF COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)ccc23)o1 13864637 HDUUCQLNBZTNGH-UHFFFAOYSA-N 346.386 4.440 0 1 EIAF C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1cccs1 19327187 SKZXENRDAGALSL-VXLYETTFSA-N 328.466 4.468 0 1 EIAF CN(C(=O)c1cccc2ccccc12)[C@@H]1CCCC[C@H]1N1CCCC1 26832880 BRVCKDDOBWKXRT-NHCUHLMSSA-N 336.479 4.319 0 1 EIAF O=P(O)(O)[C@@H](Cc1ccccc1)c1cccc(C(F)(F)F)c1 26845148 SAHLSPFOTOALLV-AWEZNQCLSA-N 330.242 4.167 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801276 YUEVEZWXYBGVTF-RWQUKJDLSA-N 345.527 4.301 0 1 EIAF Cc1cc(NC(=O)Nc2cccc3nsnc23)c2ccccc2n1 35049728 QDZRULMEAFNENM-UHFFFAOYSA-N 335.392 4.192 0 1 EIAF COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 45369265 YEXGDORSPJNFAG-DEPWHIHDSA-N 346.467 4.154 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@]3(C=C4CO)CC[C@H]12 103109991 YBJMIJSAKGCLRX-KXLDAGHISA-N 330.468 4.021 0 1 EIAF COc1ccc(Br)c2c1CC[C@H]1[C@H](c3ccncc3)[C@H]21 195096158 SLXPOBZDYHEQIS-YLQAJVPDSA-N 330.225 4.296 0 1 EIAF CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1 255219470 IGTOGZGFKIJBBR-AYUOOJHXSA-N 330.468 4.450 0 1 EIAF C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1CCO 473111593 AMHQHODPRWKKPO-ZUOKHONESA-N 340.854 4.150 0 1 EIAF CC(=O)c1ccc(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cc1 586881487 XCTCESAQXOZLOL-UHFFFAOYSA-N 328.375 4.077 0 1 EIAF CCOCc1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)o1 586902367 DQDMLUWJFBNLLQ-UHFFFAOYSA-N 335.201 4.430 0 1 EIAF Cn1nc(C(F)(F)F)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587117504 JYHZWADPIYYJNS-UHFFFAOYSA-N 334.223 4.001 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c3cccnc13)O2 587379275 HFSQWPJQMWIOQD-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C)n(C)c1C)CC2=O 587469873 HTATXGDXXJSFQQ-GOSISDBHSA-N 327.424 4.315 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1OC)CC2=O 587484187 XCJAVJCXRVWGPK-LJQANCHMSA-N 342.391 4.068 0 1 EIAF C[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587523808 IAJWEXARRBOXPH-NRFANRHFSA-N 332.403 4.322 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587823898 SGZBECLOEVYXMO-WQFLNUHSSA-N 336.248 4.376 0 1 EIAF Nc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1N 587951139 WWKBCPRIOXLWQZ-UHFFFAOYSA-N 330.391 4.110 0 1 EIAF NC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955821 QGIBSQRBNOOVJM-SFHVURJKSA-N 341.414 4.036 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1cccn1Cc1cccs1)NCC2 962298389 LKVFOSYLAMMSND-IBGZPJMESA-N 326.440 4.281 0 1 EIAF COc1ccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1 1772633577 BRUMSOSKWWAVAV-UHFFFAOYSA-N 344.370 4.151 0 1 EIAF CSc1nc2cc(C(=O)Nc3cccc(C)c3)c(Cl)cc2[nH]1 1857754563 YHSRTMKPZZKHNF-UHFFFAOYSA-N 331.828 4.499 0 1 EIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 2356300908 VIGHBXUSXBPOTG-VOQZNFBZSA-N 348.490 4.204 0 1 EIAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cccnc3)nc(N)c12 13835491 OOFLKQBGRGWQJW-OAHLLOKOSA-N 343.434 4.302 0 1 EIAF CC1(C)C=Cc2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O1 14883690 GHUQHFLVTXMEHU-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF biogenic,in-vitro OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 28456651 UTSVFENYHGEOSM-YOFSQIOKSA-N 345.845 4.494 0 1 EIAF in-vitro C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CC[C@H](O)O1 40402003 RPXBOKFFDADXDV-OXZADQLBSA-N 328.452 4.116 0 1 EIAF Cn1nc(-c2ccccn2)nc1C(=O)CCCCCCc1ccccc1 40874680 HQNUGFCGGBTJRR-UHFFFAOYSA-N 348.450 4.253 0 1 EIAF Oc1ccc(CN2CCC(NCc3cccc4ccccc34)CC2)cc1 45167669 RGDLPMZDXSZUSR-UHFFFAOYSA-N 346.474 4.300 0 1 EIAF CCn1c2ccc(C(=O)c3ccccc3)cc2c2c[n+](CC)ccc21 71295778 QEPJNBUEDXQGRK-UHFFFAOYSA-N 329.423 4.353 0 1 EIAF c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(-c3ccncc3)nc2c1 84587141 ZUTXVYDXDZGDRK-UHFFFAOYSA-N 328.379 4.036 0 1 EIAF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc(C(F)(F)F)cc3)OC2(C)C)[C@@H]1O 96933452 AQFXRNOPZNNUJL-FPCVCCKLSA-N 342.357 4.225 0 1 EIAF CCCCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167519848 DRDURBWEQNECDD-UHFFFAOYSA-N 337.423 4.363 0 1 EIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC/C(C)=C\CC1 169360963 YFOLGCJWYIGIKF-JHNRBHSWSA-N 331.500 4.343 0 1 EIAF COc1cc2c(cc1-c1c(C)nn(C)c1C)[nH]c1ccnc(Cl)c12 224901768 LVQHGMXOYRNRQU-UHFFFAOYSA-N 340.814 4.395 0 1 EIAF CCc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983404 CEXJCUGKTLQGJD-CQSZACIVSA-N 344.256 4.130 0 1 EIAF Cc1cc(C)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587008574 YYGHNJAAHSTGBO-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1ccc(Cc2nc3cccc(C(=O)O)c3[nH]2)cc1C(F)(F)F 587095499 HGOYSICSSXOLTL-UHFFFAOYSA-N 334.297 4.179 0 1 EIAF COc1cccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587205221 NXEINHXGEAUIKZ-AWEZNQCLSA-N 347.459 4.053 0 1 EIAF c1ccc(CN2C[C@H]3Cc4c(nc5cccc6c5c4CC6)C[C@H]3C2)cc1 587212909 SHZFXBQMPWGZGL-MOPGFXCFSA-N 340.470 4.180 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cn1 587247774 SXEAWZSDIXPYAJ-UHFFFAOYSA-N 348.328 4.027 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3CCCCC3)c1)O2 587397952 CWNZEANNOPFTAG-FQEVSTJZSA-N 336.435 4.274 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(F)c1)[C@@H](C2)C3=O 587425476 DFXSHMIEXBPZLB-KPZWWZAWSA-N 332.758 4.151 0 1 EIAF O=C1C[C@@H](c2ccn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587516484 UHSUJADICUUVSV-NRFANRHFSA-N 344.414 4.458 0 1 EIAF Cc1cc(C)nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773627 RBRAJIBGLKKUEI-GTNSWQLSSA-N 349.247 4.224 0 1 EIAF COc1cc(C)ccc1-c1nc2ccc(Br)c(O)c2[nH]1 587925258 KSVRWFDBVDOVRL-UHFFFAOYSA-N 333.185 4.015 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 962961476 XGGVCFVXPYFWPA-HFKLLZPISA-N 336.479 4.457 0 1 EIAF Nc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772575050 DWJWIQYUKDNNFV-UHFFFAOYSA-N 330.313 4.488 0 1 EIAF COc1ccccc1C(=O)Nc1ccc(Oc2cccc(O)c2)cc1 1857748171 SNMUPPULDADCOX-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@H](C[C@H]32)[C@]5(CO)C4)C1(C)C 2356432215 UBTQUINDRHFXPQ-VUHIERMNSA-N 346.511 4.179 0 1 EIAF CCCC=CCC[C@H](O)CC[C@H](O)CCCCCCCC(=O)O 2356514931 RQJUILPBCUMSNT-ZWKOTPCHSA-N 328.493 4.440 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]23CO[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]21)[C@@H]43 2356768535 QWUTUYGUGLFBMY-HHVAWHEFSA-N 344.451 4.460 0 1 EIAF COc1cc2c(cc1C(C)C)CCC[C@@H](CCC[C@@]1(CO)CO1)C2 15194953 GXBBGUURQXDBGS-HRAATJIYSA-N 332.484 4.245 0 1 EIAF biogenic CCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28005935 GIFGQVCVZIIPRG-TZIWHRDSSA-N 342.433 4.179 0 1 EIAF CCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 29311905 UVBNYVYRLVXIFP-CRVXMOQVSA-N 345.490 4.455 0 1 EIAF COc1ccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c(C)c1 82082619 GHFZBSDQXKHLOS-UHFFFAOYSA-N 331.375 4.086 0 1 EIAF CCCC1=Nc2ncnn2[C@H](/C=C/c2ccccc2)/C1=C(\O)OCC 101631222 GXBBCLCFBKKZCQ-LLGYLGHTSA-N 338.411 4.225 0 1 EIAF c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1 139330438 VXFGFZRXADIAEG-UHFFFAOYSA-N 341.374 4.470 0 1 EIAF c1ccc(CN[C@@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169321569 KFJZWPDOOOXOSJ-UTKZUKDTSA-N 331.463 4.019 0 1 EIAF Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1C 169722673 APCGGZOPXTVPGF-UHFFFAOYSA-N 327.405 4.142 0 1 EIAF COc1cc(/C=C/COC(=O)CC(C)C)ccc1OC(=O)CC(C)C 238770977 UUFSKGRWZUFEKE-VOTSOKGWSA-N 348.439 4.249 0 1 EIAF CCC(CC)OC(=O)[C@H]1[C@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 253791582 SSMWNQCHCRSYNE-MDNKFWRPSA-N 329.484 4.293 0 1 EIAF CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl 261185433 XGTFHIJGWDETSN-UHFFFAOYSA-N 332.618 4.015 0 1 EIAF CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586890479 PZEQEHQWYQDMIT-LBPRGKRZSA-N 340.267 4.464 0 1 EIAF OCc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 586895491 JRAWNMGDQCLUQY-UHFFFAOYSA-N 326.705 4.394 0 1 EIAF COc1cc(/C=C/c2nc3cc(F)cnc3[nH]2)ccc1Br 586975731 FEWAHADPTQGNSV-HWKANZROSA-N 348.175 4.039 0 1 EIAF COC(=O)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cn1 587053890 JFJWWXHUEIWUPU-AATRIKPKSA-N 348.189 4.222 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 587080091 QTZWNAOWYQSROU-SNVBAGLBSA-N 346.818 4.212 0 1 EIAF O=C1c2ccccc2-c2cc(CN3CCCCC3)nc3cccc1c23 587107859 VXNJQVZRUJCFAU-UHFFFAOYSA-N 328.415 4.432 0 1 EIAF COc1ccc2[nH]c3c(c2c1)Cc1nc2cccc4c2c(c1C3)CC4 587211569 HKNKWEXJELCMNM-UHFFFAOYSA-N 326.399 4.318 0 1 EIAF Nc1ccc2oc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2c1 587252284 VOZLSRHQIKVKGJ-UHFFFAOYSA-N 346.159 4.460 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCSc3ccccc31)O2 587415810 YFDHFJARNZHBDS-LJQANCHMSA-N 325.433 4.324 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1cccnc1)CC2=O 587492074 WMAZHXKWQSBOMG-UWJYYQICSA-N 337.419 4.411 0 1 EIAF COc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(OC)c1C 587787062 JYRFBZWHLBJRPK-UHFFFAOYSA-N 326.396 4.343 0 1 EIAF COc1ccc(/C=C/Cc2nc3ccc(C(C)=O)cc3[nH]2)c(OC)c1 587929702 OWTXBJJBPMGCEN-SNAWJCMRSA-N 336.391 4.039 0 1 EIAF COc1ccc2c(c1)C[C@H](c1nc3ccc4ncccc4c3[nH]1)CC2 587946114 JVAIFSYHIJRAQG-CQSZACIVSA-N 329.403 4.392 0 1 EIAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1 653711357 CLNVSEUDXHVTTH-NRFANRHFSA-N 341.414 4.069 0 1 EIAF COc1cc2c(cc1OC)[C@@H](c1cc(F)c(C)c(F)c1)N(C)[C@H](C)C2 962634599 LAHITEJJAYLJSO-BIBXISHDSA-N 347.405 4.256 0 1 EIAF Cc1cccc(CC[C@@]2(C3CC3)NCCc3nc4ccccn4c32)c1C 962998244 UAKPAGDQCKNFRV-QHCPKHFHSA-N 345.490 4.335 0 1 EIAF O=C(O)CCCC=CCC=CC=C[C@@H](O)CC=CCCCCCO 2356376195 NUPDGIJXOAHJRW-LJQANCHMSA-N 336.472 4.160 0 1 EIAF COc1ccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)cc1 61930656 OOJVKCWTTREHTO-KRWDZBQOSA-N 345.395 4.048 0 3 EIAF O=C(Nc1ccccc1)[C@@H]1C(=O)N(c2ccccc2)c2ccccc21 984168 JIJZQOVCDASNQE-LJQANCHMSA-N 328.371 4.087 0 1 EIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N(C)C 4294919 AIJREPSKMXDITA-RBUKOAKNSA-N 346.471 4.187 0 1 EIAF Cc1ccccc1N1CCN(Cc2cccc([C@H](O)C(C)C)c2)CC1 27421562 PJOGOJLTFFSGPB-JOCHJYFZSA-N 338.495 4.007 0 1 EIAF Cc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1 29126412 YGUBSOHTOUBYGO-UHFFFAOYSA-N 333.222 4.495 0 1 EIAF O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 72114972 QTBKOGLJPINUKJ-FQEVSTJZSA-N 329.399 4.431 0 1 EIAF Cc1ccccc1-c1nc(CN2CCC(N3CCCCC3)CC2)co1 72185630 QVWIPWPDDFVHAK-UHFFFAOYSA-N 339.483 4.100 0 1 EIAF O=C1CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc2N1 95555711 VGFAZLJERHRJJT-UHFFFAOYSA-N 330.387 4.212 0 1 EIAF CCCC[C@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 100913989 VGUKOKATWNDEOI-UQVNRYHBSA-N 343.511 4.307 0 1 EIAF CCOc1cc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12 147808340 QFWWHMXFGUFEIC-UHFFFAOYSA-N 339.391 4.326 0 1 EIAF CCCC[C@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169325109 PDQSXWZALABJLC-YJMBLLCNSA-N 345.527 4.248 0 1 EIAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2ccc(O)cc2)C1 203669175 WYKVOSKSLKUTPE-QGZVFWFLSA-N 338.407 4.444 0 1 EIAF O[C@H](C[C@@H]1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1 205771487 FPKRCRNJVIHTNG-GDBMZVCRSA-N 336.357 4.169 0 1 EIAF CCC(=O)[C@H]1[C@H](c2ccc3cc(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 253634040 NBXHPPSAAQZXHP-KHHDVDEJSA-N 337.463 4.394 0 1 EIAF COc1cccc([C@H]2CCN(c3ccc(-c4ccncc4)cc3)C2=O)c1 584629409 GMWSHCZWEGTCTC-OAQYLSRUSA-N 344.414 4.278 0 1 EIAF COc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Cl 586890548 QOQNUEVLIHJBRQ-PIGZYNQJSA-N 330.815 4.370 0 1 EIAF Cc1cc(Br)c2[nH]c(C3(c4ccc(O)cc4)CC3)nc2c1 586896816 YTFHPJLEXMBIHQ-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF Oc1nccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016595 YVVJGBSMBZMBGI-UHFFFAOYSA-N 328.784 4.107 0 1 EIAF NC(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053337 CQXVHUVDRMCAEQ-ALCCZGGFSA-N 332.190 4.139 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Cl)ccnc2[nH]1 587075548 HWKODQOBOYIATJ-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(F)c2[nH]1 587080543 QGNWCGSHKLENSE-LBPRGKRZSA-N 346.768 4.218 0 1 EIAF COC(=O)c1cccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085044 MYEUCMCCJZAVAJ-UHFFFAOYSA-N 337.766 4.218 0 1 EIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(Cl)c2[nH]1 587175783 VXUZJCRUQFKQAG-ZDUSSCGKSA-N 328.778 4.079 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cncc(-c4ccccc4)c1)[C@@H](C2)C3=O 587435970 LDEVQVXYZUXNMZ-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)noc1C)[C@@H](C2)C3=O 587437378 ZFDHUCKBFQSPTD-BTYIYWSLSA-N 347.370 4.147 0 1 EIAF CC[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772050 NDPQJRFNFMIZOV-GTNSWQLSSA-N 349.247 4.171 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc2ccccc2n1 587871443 HJBQORFIGVZQOZ-UHFFFAOYSA-N 334.354 4.020 0 1 EIAF COc1ccc(CCCc2nc3c(C)cnc(Cl)c3[nH]2)c(OC)c1 587928799 MFXQIADDJNXSEE-UHFFFAOYSA-N 345.830 4.112 0 1 EIAF COC(=O)c1ccnc2[nH]c(/C=C\c3cccc4ccccc34)nc12 587966315 BIAFKUIXGFFORM-KTKRTIGZSA-N 329.359 4.068 0 1 EIAF Oc1ccc2c(c1)[C@](c1c[nH]c3ccccc13)(C(F)(F)Cl)NCC2 963343426 VWXMYPLAYKBLFZ-KRWDZBQOSA-N 348.780 4.094 0 1 EIAF COc1ccc(-c2ccccc2NCCCn2ccnc2)cc1OC 1772600212 RFOQUGFDHQVOGR-UHFFFAOYSA-N 337.423 4.070 0 1 EIAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12 1772614440 YUPBHYDNMOPCTJ-UHFFFAOYSA-N 349.438 4.388 0 1 EIAF Brc1ccc(/C(=C/c2ccccc2)Cn2ccnn2)cc1 1857567539 CRLOPYMQZPJDRE-FOWTUZBSSA-N 340.224 4.281 0 1 EIAF Clc1ccc(Nc2cc(Nc3ccc4n[nH]cc4c3)ncn2)cc1 1857651326 DCJIFWIMYWRGNC-UHFFFAOYSA-N 336.786 4.494 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@H](O)[C@@H](Cc1ccc(O)cc1)NC 2356432976 RNCWKUCWPBNWOH-NLEAXPPASA-N 333.516 4.292 0 1 EIAF CCCCC/C=C/C[C@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)O 25974109 LRPPQRCHCPFBPE-IPSNPUGCSA-N 338.488 4.382 0 1 EIAF CC[C@@H](N)COc1nc(-c2cccs2)c(C)c(-c2cccs2)n1 28525323 VGESWILZEXYMSX-GFCCVEGCSA-N 345.493 4.358 0 1 EIAF CCCCC1=NC2(CCCC2)C(=O)N1CC(=O)c1ccc(Cl)cc1 28867684 GMYZYXFDWJWXDK-UHFFFAOYSA-N 346.858 4.266 0 1 EIAF CCOC(=O)N[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66259888 HQBZCHGQOFKTGF-YRIDSSQKSA-N 343.467 4.363 0 1 EIAF CCOC(=O)c1cc2ccc(OC3CCCCCC3)cc2oc1=O 72120125 NJYUFSPLSXCNJO-UHFFFAOYSA-N 330.380 4.071 0 1 EIAF O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCC1 145881688 WSXBNVZXVBHQTE-UHFFFAOYSA-N 327.443 4.142 0 1 EIAF CC1(C)Cc2n[nH]c(=O)c3cccc4c3c2c(n4Cc2ccccc2)C1 150189823 VPWIVDPBBPZAEU-UHFFFAOYSA-N 343.430 4.051 0 1 EIAF COc1ccccc1-c1cc(COc2ccc3oc(=O)ccc3c2)on1 299831571 QTSJFDPQTBLRNS-UHFFFAOYSA-N 349.342 4.036 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586880829 SYHQPVBCASVEGB-HJWRWDBZSA-N 348.280 4.226 0 1 EIAF Oc1c(Br)ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883499 KKBWGGGNUZVJOE-BHGXRVDKSA-N 347.256 4.499 0 1 EIAF O=C1c2ccccc2-c2c([C@H]3CCCOC3)cnc3ccc(O)c1c23 586991360 NELNKLPFIAIHMM-LBPRGKRZSA-N 331.371 4.046 0 1 EIAF Cc1nc(COc2cccc(-c3nc4cncc(C)c4[nH]3)c2)cs1 587020801 YJXGYRQYDCRFGU-UHFFFAOYSA-N 336.420 4.277 0 1 EIAF CC(C)Oc1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587163997 WXTINWMOKPTFMO-UHFFFAOYSA-N 326.371 4.305 0 1 EIAF Cc1cc(Br)cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587173579 FLMXEYGUPUNFHN-CQSZACIVSA-N 347.187 4.449 0 1 EIAF CC1(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587207120 HYIBJMRFOLFMLI-UHFFFAOYSA-N 327.383 4.358 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1N)(C(C)C)CC2=O 587473523 WWFSEFDSZWPWGY-OAQYLSRUSA-N 339.435 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)C12CCCC2 587488755 LXLVOQFMGXKHEP-GHTZIAJQSA-N 344.451 4.418 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(F)c(C)c2[nH]1 587785666 AVUBKIQWSXPHDJ-UHFFFAOYSA-N 326.371 4.143 0 1 EIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587826594 FIEOCBDTAMQTOB-XXFAHNHDSA-N 338.220 4.287 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccccc1C 587871156 BUBJOONKFDNZME-UHFFFAOYSA-N 339.370 4.477 0 1 EIAF COc1ccc(Nc2c(-c3ccccc3O)nc3ccccn23)cc1 653717566 VCJJWZNUEKOWEQ-UHFFFAOYSA-N 331.375 4.459 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(Cl)cc1F 963257057 GJWNZWCQBWRERX-INIZCTEOSA-N 326.198 4.376 0 1 EIAF O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 1772619781 CDAYEBKMDIJVNY-UHFFFAOYSA-N 348.490 4.236 0 1 EIAF O=C(/C=C/c1ccccc1)Nc1nnc([C@@H]2CCCc3ccccc32)o1 1857593306 XUVPWGKWEVOPNJ-KAUXGEHWSA-N 345.402 4.190 0 1 EIAF CC(C)[C@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911572300 UVQZGKGTRXYCMH-FQEVSTJZSA-N 325.452 4.250 0 1 EIAF COc1ccc2c(c1)[C@@]13CCC[C@H](C)[C@@H]1[C@@H](C2)N(CC1CC1)CC3 26666924 CZJFUNHAAXPPCP-RGXPITOMSA-N 325.496 4.410 0 1 EIAF CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 36289401 OVURERDJMLXMHG-LKSBUDPDSA-N 330.468 4.450 0 1 EIAF O=C(c1ccc(-c2nc(Cc3cccs3)no2)s1)C(F)(F)F 40379001 AVTYXXHFKLUIQU-UHFFFAOYSA-N 344.339 4.195 0 1 EIAF CCNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC 45289863 JZBQZURGKAJNRZ-UHFFFAOYSA-N 332.425 4.042 0 1 EIAF C[C@H](COC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1 102078475 HBJYCZVPNMNKRS-KCXAZCMYSA-N 338.289 4.194 0 1 EIAF OCC12CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)(CC1)CC2 586895612 PPIOLBVFIUWUGR-UHFFFAOYSA-N 325.239 4.454 0 1 EIAF Cc1cc(C)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005879 XRXGWRGVMKFHQF-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF Clc1c[nH]c2nc(/C=C\c3cccc(Cl)c3Cl)nc-2n1 587054178 MJIBWBCLGBBNDC-PLNGDYQASA-N 325.586 4.435 0 1 EIAF Cn1nccc1/C=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104841 KMSHATDKEZNQNK-MDZDMXLPSA-N 337.382 4.350 0 1 EIAF CC(C)(C)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587119290 VNUOUHQKNNOKAE-UHFFFAOYSA-N 336.361 4.318 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1 587160585 DOLONMVNHPWAMK-WDEREUQCSA-N 332.176 4.131 0 1 EIAF Nc1ccc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)cc1 587251229 CVCRLSXLRMSYJM-BAQGIRSFSA-N 332.176 4.217 0 1 EIAF COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)CCCC2 587402353 CECULLCVOCNYMP-HXUWFJFHSA-N 337.419 4.171 0 1 EIAF COc1cc2c3c(c1)O[C@](CCc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587444548 UYVMICQRLBEVNO-PGRDOPGGSA-N 336.431 4.470 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(C4CC4)nc1C)[C@@H](C2)C3=O 587452644 SCQPESHLZMMKGG-ORAYPTAESA-N 341.432 4.000 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cccc1OC)CC2=O 587477074 HPKVJXNDJNPQIW-SFHVURJKSA-N 342.391 4.068 0 1 EIAF Cc1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587507226 UZNWVEQXAOCYPZ-GOSISDBHSA-N 326.367 4.425 0 1 EIAF O=C1C[C@@]2(CCc3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 587534967 HKJSKQAUVJCCNV-JOCHJYFZSA-N 348.398 4.101 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587823892 SGZBECLOEVYXMO-IOXKSUMSSA-N 336.248 4.376 0 1 EIAF C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587875378 DLQSKHQITITYDD-UHIISALHSA-N 345.443 4.342 0 1 EIAF CCc1ccc(C(=O)CCc2nc3cc(OC)c(F)cc3[nH]2)cc1 587956632 IASZDQFQSYFJHL-UHFFFAOYSA-N 326.371 4.089 0 1 EIAF CC[C@]1(Cc2nc3cccc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 587959027 BJUKQXJEHKGFDU-OAQYLSRUSA-N 348.402 4.029 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1cnc(C(F)(F)F)cc1Cl)NCC2 962296324 GAAPMAFVJPPSEM-HNNXBMFYSA-N 344.739 4.436 0 1 EIAF Oc1ccc(F)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1F 963118380 FTFQGHQPSZYXNW-OAHLLOKOSA-N 330.161 4.212 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cnc2ccccc2c1 963611150 PZKXJCUDHLJMST-JLCFBVMHSA-N 348.446 4.050 0 1 EIAF COC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356321191 VBAOKHVYDOQJSK-CVJLFTMQSA-N 348.527 4.222 0 1 EIAF CCC1=NN=C(c2ccc(F)cc2)[C@H](c2c[nH]c3ccccc23)N1O 4452521 SMBIJQQMJJTRIH-IBGZPJMESA-N 336.370 4.266 0 3 EIAF COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3 5538076 CLTWCRYMQAXOCP-XMMPIXPASA-N 346.470 4.165 0 1 EIAF Oc1ccccc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1 6732865 AEPCCTWNTGUVPV-UHFFFAOYSA-N 336.782 4.499 0 1 EIAF O=C1N=C(O)[C@H]2c3c([nH]c4ccccc34)Oc3cccc4[nH]cc(c34)[C@H]12 13372413 HQYGCSHOJQPWQA-DOTOQJQBSA-N 343.342 4.119 0 1 EIAF biogenic COc1ccc2cc([C@@](O)(c3ccc(F)cc3)c3cccnc3)oc2c1 13680602 HBDRSBZVRRBXMY-OAQYLSRUSA-N 349.361 4.260 0 1 EIAF CCCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1 28760240 YVZIEOVVTJKRKN-UHFFFAOYSA-N 342.439 4.196 0 1 EIAF CCCC[C@@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@@H]1N 28821803 PREGFYVMCPMPHS-WBMJQRKESA-N 330.394 4.058 0 1 EIAF CCC[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954174 UZTJQMQMSULLOR-LLVKDONJSA-N 327.133 4.420 0 1 EIAF C[C@@]12C=C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 40786398 ZRNBRKAVBLAEBQ-CHBSCGLWSA-N 340.463 4.370 0 1 EIAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc(F)cc1 40835410 PNYAIMLNLNUQGR-UHFFFAOYSA-N 348.337 4.001 0 1 EIAF Cc1nc(-c2ccccn2)nc(N(C)CCc2ccccc2)c1Cl 40900870 XSMBMYSEWPXVEN-UHFFFAOYSA-N 338.842 4.179 0 1 EIAF Cc1ccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)cc1 40980854 SEXKJTFKSCOVHI-UHFFFAOYSA-N 344.374 4.171 0 1 EIAF C[C@@H](O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 53229741 VAWSGMBDACIOIP-CQSZACIVSA-N 345.402 4.350 0 1 EIAF Nc1ncc(-c2ccc(N3CCCCC3)cc2)c(-c2ccccc2O)n1 71316465 UFMJOWDDOZUQOF-UHFFFAOYSA-N 346.434 4.089 0 1 EIAF CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3)n2)C1 82068759 BNROBVJNXWFWPI-FOIQADDNSA-N 341.455 4.258 0 1 EIAF CCCCn1c(=O)n(CC2CCCCC2)c(=O)c2cc(Cl)ccc21 95559636 YPXOXKPYWJFASY-UHFFFAOYSA-N 348.874 4.197 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C2 586884911 JXYZQFHABUEFSO-GUBZILKMSA-N 338.304 4.360 0 1 EIAF CCOCc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)o1 586903234 NEZTWCMUJAMIAK-UHFFFAOYSA-N 339.164 4.261 0 1 EIAF Clc1ccccc1CCc1nc2cncc(Br)c2[nH]1 587059356 OVQZCIKOYWTKJE-UHFFFAOYSA-N 336.620 4.159 0 1 EIAF Fc1cnc(Br)c2nc(-c3ccc(Cl)cc3)[nH]c12 587069373 IYTMHALTCJUYOT-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587075109 CPAFCWGNDFVELR-UHFFFAOYSA-N 338.798 4.360 0 1 EIAF CCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399028 HLMQIDFNPJONBD-SFHVURJKSA-N 341.407 4.081 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@H]3CCCCO3)o1)O2 587407221 BCWMJLDFZWYJMX-CRAIPNDOSA-N 327.380 4.118 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2SC[C@H]1C 587412849 CXPCFXMEEGJQPO-BLVKFPJESA-N 325.433 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccco1)[C@@H](C2)C3=O 587453763 HAAQOCQSRLOIBX-KKSFZXQISA-N 332.355 4.444 0 1 EIAF CCOC(=O)[C@]1(CC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587525937 WRJPKNYWCSEDQD-OAQYLSRUSA-N 344.451 4.269 0 1 EIAF Fc1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1-n1cccn1 587780647 FMMSBFCWVMRCAZ-YWEYNIOJSA-N 348.381 4.118 0 1 EIAF O=C(c1ccnc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587874447 BCBVVMTUYMIOHJ-UHFFFAOYSA-N 331.306 4.032 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587955171 GXLLAGDMLTVCJN-UHFFFAOYSA-N 334.725 4.279 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1cc(F)c(C)c(F)c1)N(C)[C@@H](C)C2 962634650 LAHITEJJAYLJSO-YBTHPKLGSA-N 347.405 4.256 0 1 EIAF CCCCC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21 1857568248 HYVOZTJUVNRAEZ-LJQANCHMSA-N 328.387 4.289 0 1 EIAF CC=Cc1cc(C)ccc1[C@H](C)[C@H](O)[C@@H](C)c1cc(O)c(C)c(=O)o1 2356347749 YGJPBGVCODIPCC-KPHUOKFYSA-N 342.435 4.263 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H]1COC(=O)C1 2356602451 ADMUMPSVQUEYSC-SENONWEKSA-N 334.456 4.193 0 1 EIAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2ccsc2)C1 11948485 ZJKWMXUQBXATIL-CYBMUJFWSA-N 347.867 4.445 0 3 EIAF COc1cccc(CNc2nc(NC(C)C)nc3ccsc23)c1 61928640 QUGIYGVFOIZTQY-UHFFFAOYSA-N 328.441 4.132 0 3 EIAF COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1 3814637 RAUHMMADXJJVRP-UHFFFAOYSA-N 328.433 4.193 0 1 EIAF CC(=O)N(C)CC/C=C1\c2ccc(Cl)cc2CCc2cccnc21 13861069 JHOJSIPGICNRRG-KPSZGOFPSA-N 340.854 4.134 0 1 EIAF COc1ccccc1CSc1nnc(Nc2ccccc2C)[nH]1 14964070 INLCXQQDEZOCQH-UHFFFAOYSA-N 326.425 4.158 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 26387887 WGPZAVZHAGYUOL-ZPXDSWDSSA-N 331.500 4.055 0 1 EIAF Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@@H](C)N[C@H](C)C2)sn1 28250894 KXKZCELYSNODQC-QINHECLXSA-N 343.540 4.347 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@H]4CO 28641868 HCXQUFPQHLFUCK-YTBFPPQDSA-N 334.500 4.181 0 1 EIAF biogenic,in-vitro NC(=O)c1ccc(Oc2ccc(CCCNc3ccccc3)cc2)nc1 28826397 SRJCZIVRZNUHTA-UHFFFAOYSA-N 347.418 4.018 0 1 EIAF in-vitro CC(=O)Nc1sc2c(c1-c1cc3ccccc3s1)CCNC2 36382658 BLOKHVKXFSAWCC-UHFFFAOYSA-N 328.462 4.234 0 1 EIAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3ccccc3)cc1)N2C 95607611 HGNMYGRBKGXPFK-ANULTFPQSA-N 335.447 4.093 0 1 EIAF O=c1[nH]c(O)c(Cc2ccc(Oc3ccccc3Cl)cc2)s1 169722675 HGPYQLVXYKWFDH-UHFFFAOYSA-N 333.796 4.179 0 1 EIAF Nc1nnc(-c2ccc3[nH]cc(-c4c(F)cccc4F)c3c2)s1 204773261 ULCBWFFBEDGJOB-UHFFFAOYSA-N 328.347 4.214 0 1 EIAF COc1cc2ncnc([C@H](C)c3cccc(Cl)c3)c2cc1OC 474609630 ROVZHCNAFFDJBQ-LLVKDONJSA-N 328.799 4.452 0 1 EIAF Oc1ccccc1C1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 586897241 WHJYBPJADGQGOI-UHFFFAOYSA-N 334.297 4.247 0 1 EIAF Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cccc3[nH]1)=C2 586907341 FUMJAJVQANJESD-UHFFFAOYSA-N 332.281 4.220 0 1 EIAF O=C1c2ccccc2-c2c(CCC(=O)C3CC3)cnc3ccc(O)c1c23 586991148 JXIQNQDSUNOAPI-UHFFFAOYSA-N 343.382 4.064 0 1 EIAF COc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1F 587027851 IECPLLFJGCPMQB-UHFFFAOYSA-N 328.372 4.138 0 1 EIAF COCCc1c(COC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096241 IFLFUTJWCKPRJL-UHFFFAOYSA-N 347.414 4.090 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587169536 YQHZVWLQDLMXMU-MRVPVSSYSA-N 336.269 4.164 0 1 EIAF Nc1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587251713 LZRDHTOIGKIFEX-UHFFFAOYSA-N 334.206 4.267 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c[nH]cc32)[C@H]1c1ccc(F)cc1 587343676 DAVXSKSHVILTPC-PZJWPPBQSA-N 349.361 4.060 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1C(F)(F)F)O2 587382736 RNLJSUPTRIAVQA-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF COc1cc2c3c(c1)O[C@H](C[C@@H]1CCCc4ccccc41)[C@@H](C2)C3=O 587443694 BJDJWLXMORJEIH-GDIGMMSISA-N 334.415 4.321 0 1 EIAF O=C1C[C@H](c2cccn2-c2cccnc2)Oc2c1ccc1c2CCCC1 587510667 BYFYWDQZCSGIJM-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587589107 NMFJVVUQUHTDKZ-OXJNMPFZSA-N 335.359 4.040 0 1 EIAF COc1ccc(/C=C/Cc2nc3cc(F)c(F)cc3[nH]2)c(OC)c1 587928456 DBJLKKAISKQXIN-ONEGZZNKSA-N 330.334 4.114 0 1 EIAF O=C(O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 653708760 QYJWXOYAPRIBLA-UHFFFAOYSA-N 342.358 4.134 0 1 EIAF Fc1ccc2c(c1)CC[C@@]1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963105423 QKBXUIYSSRHXAE-GHTZIAJQSA-N 325.402 4.370 0 1 EIAF CCCc1ccc([C@@]2(c3ccccn3)NCCc3ccc(O)cc32)cc1 963351175 FJSABCRTTIVVMV-HSZRJFAPSA-N 344.458 4.177 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@@H](N)[C@H](Cc1ccc(O)cc1)NC 2356718852 IBEFHERIICGKCU-NLEAXPPASA-N 332.532 4.259 0 1 EIAF COCCO[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254018026 QMWXAQBRHJMZPT-BZDFKLGJSA-N 348.527 4.342 0 3 EIAF COc1cc2c(cc1C)C(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C 13335308 SAYFFKOYQFYZOH-ZJOUEHCJSA-N 344.451 4.216 0 1 EIAF biogenic C[C@H]1CN(CC[C@H](O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1 13833013 ZOGAVQIKTDOCJT-ZAAXVRCTSA-N 345.508 4.177 0 1 EIAF CCS(=O)(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1 34186253 JJXHXICQNSSQHO-UHFFFAOYSA-N 341.432 4.180 0 1 EIAF O=C(c1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)C(F)(F)F 40379248 YOHGFGBUOGYNHX-UHFFFAOYSA-N 342.273 4.349 0 1 EIAF CCCn1ccc2cc(NCc3cccnc3)cc(Cl)c2c1=O 66076558 COXSMQYRAOPGTJ-UHFFFAOYSA-N 327.815 4.072 0 1 EIAF COc1cccc(-c2cc(NCCCc3ccccc3)nc(OC)n2)c1 66251290 QLWRBRAPKLHSNJ-UHFFFAOYSA-N 349.434 4.206 0 1 EIAF COc1cccc(-c2cc(N[C@H](C)c3cccc(OC)c3)ncn2)c1 82162420 BOHZRPJAHQNFAG-CQSZACIVSA-N 335.407 4.334 0 1 EIAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3cccc(O)c3)nc2c1 144381943 HGWPYENLOIIHEL-UHFFFAOYSA-N 342.354 4.368 0 1 EIAF COc1c(C(=O)CC(=O)c2ccccc2)ccc2c1C=CC(C)(C)O2 155699902 QFTWSMLVOZYJPP-UHFFFAOYSA-N 336.387 4.335 0 1 EIAF biogenic,in-vitro COc1cc(Br)cc2cc(-c3ccc(F)cc3)c(=O)oc12 299827999 QATCCTUHDLQRAP-UHFFFAOYSA-N 349.155 4.370 0 1 EIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024204 YGCNPMCDFKVJTK-UHFFFAOYSA-N 341.417 4.202 0 1 EIAF COc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)n1 587083986 PZHUCQYKAHHABX-UHFFFAOYSA-N 343.692 4.186 0 1 EIAF FC(F)(F)Oc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Cl 587085832 JZXKEXNVLJFDAE-UHFFFAOYSA-N 349.099 4.225 0 1 EIAF CCOC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587105671 DKGWTNUSFWXSDI-UHFFFAOYSA-N 343.382 4.041 0 1 EIAF Fc1c(F)c(-c2nc3cncc(Cl)c3[nH]2)c(F)c(F)c1S 587135410 ZGQLQTJTAPGFMR-UHFFFAOYSA-N 333.697 4.123 0 1 EIAF COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1F 587136563 RQKHVKQFGVZJDG-UHFFFAOYSA-N 347.365 4.276 0 1 EIAF COc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150907 USIZDOZWAUGHOD-GOSISDBHSA-N 348.381 4.307 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 587165293 PBIZWXBADPQGPN-UHFFFAOYSA-N 344.752 4.406 0 1 EIAF Fc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1C(F)(F)F 587176221 ICJVJHSFMSKRBV-UHFFFAOYSA-N 338.239 4.403 0 1 EIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccco1 587207283 QIOFQBZYPNZXMC-UHFFFAOYSA-N 339.350 4.465 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587241942 LLVQLESNNBOPOD-UHFFFAOYSA-N 329.350 4.493 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1csc4c1CCCC4)[C@@H](C2)C3=O 587453529 QYDYFSQVSZPJMJ-ORAYPTAESA-N 326.417 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3c(C)cccc3n1)CC2=O 587493073 ZJPMRDQOKNSVBQ-GOSISDBHSA-N 336.391 4.007 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587931168 MIXPTBYGOTYTES-SNVBAGLBSA-N 335.329 4.332 0 1 EIAF COc1ccc(OC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946464 UWCLLSULMDYMDE-INIZCTEOSA-N 329.371 4.460 0 1 EIAF CC[C@@]1(c2ccc(O)c(N)c2)NCCc2cc(-c3ccccc3)ccc21 962664938 IQAAGLADHHPURI-QHCPKHFHSA-N 344.458 4.441 0 1 EIAF CCCn1nc(C)cc1[C@@H]1c2ccsc2CCN1Cc1ccco1 962710998 SKIJSJONUVQVJJ-IBGZPJMESA-N 341.480 4.404 0 1 EIAF Cc1sc2c(c1C)CCN[C@@H]2c1cc(O)cc(C(F)(F)F)c1 963027679 QISOFBVVRFCRSW-CQSZACIVSA-N 327.371 4.324 0 1 EIAF CN1CCc2c(Br)cccc2[C@@]12CCC[C@@H]2CCF 963280094 MDVRLOHDCZDNKH-WBMJQRKESA-N 326.253 4.292 0 1 EIAF Cc1ccc2oc(C(=O)N(Cc3cccs3)c3cc[nH]n3)cc2c1 1772605729 YSZRJGGWSOGQPW-UHFFFAOYSA-N 337.404 4.373 0 1 EIAF CC(=O)c1c(O)cc(OCC=C(C)CCC=C(C)C)c(C(=O)O)c1O 2356607663 ZGFQJNBMOZVGKO-UHFFFAOYSA-N 348.395 4.070 0 1 EIAF CC[C@@H](OC)[C@@H](O)CC=CCC=CCCCCCCCC(=O)O 2356738280 HWFCXWBMBGDXGB-ZWKOTPCHSA-N 326.477 4.480 0 1 EIAF Cc1ccccc1CN1c2ccccc2S(=O)(=O)c2ccccc21 6915221 JMEQFJDXIBTCRI-UHFFFAOYSA-N 335.428 4.480 0 1 EIAF COC(=O)C[C@@H]1Oc2ccc(C)cc2-n2cc(-c3ccc(C)cc3)nc21 13828534 UDYIXFRKKSKONY-IBGZPJMESA-N 348.402 4.153 0 1 EIAF COC(=O)c1ccc(OCCCCCCCc2cc(C)no2)cc1 27851757 POLCJSMXCDSYKV-UHFFFAOYSA-N 331.412 4.342 0 1 EIAF Cc1ccc([C@@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc1 64448570 FBFSIUAMMFKKJQ-CQSZACIVSA-N 343.481 4.181 0 1 EIAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1cccc(-c3cccs3)c1)O2 84616946 CCRLYNSHUUHLKL-CUSZFKRNSA-N 328.433 4.239 0 1 EIAF COCCNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 199852349 GGPKGBYGOWNVIC-UHFFFAOYSA-N 338.329 4.016 0 1 EIAF CC1(C)CNCc2cc(NC(=O)/C=C\c3ccc(Cl)cc3)ccc21 206923915 KUHUOGXUTJDKHN-YHYXMXQVSA-N 340.854 4.373 0 1 EIAF COc1c(C(C)C)cc(C=O)c2c1O[C@H](O)[C@H]1C(C)(C)CCC[C@]21C 238735228 KSLAMLCCQWCCLH-IRFCIJBXSA-N 346.467 4.426 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)CC(c1ccccc1)c1ccccc1)C2 299820351 MPDVPOAMVNWEEK-WKCHPHFGSA-N 349.474 4.377 0 1 EIAF COc1ccc(/C=C2\S[C@H](c3ccc(C)cc3)N(C)C2=O)cc1 299841014 XJNGIZBUDFODGB-LYPXWFNGSA-N 325.433 4.249 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)c(F)c3[nH]1)C2 586887573 VBSVMAVLNSPASK-LPEHRKFASA-N 349.203 4.103 0 1 EIAF Cc1cc(Cl)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587076326 PVHKLXFHVUWFBW-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Cc1c(Cl)ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587167351 QVZBIFLDBATIST-HJWRWDBZSA-N 329.762 4.316 0 1 EIAF CCCC[C@@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437196 XKHKBXMFQXGOLJ-IIBYNOLFSA-N 337.419 4.232 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1cccc(C)c1)(C1CC1)[C@@H](C2)C3=O 587446002 QXWMSLXAJXERBI-AVRDEDQJSA-N 334.415 4.143 0 1 EIAF Cc1ccc2c(c1)[C@@]1(CC(C)(C)O2)NCCc2ccc(F)c(C)c21 962095274 WPFXTDPDCVLACF-OAQYLSRUSA-N 325.427 4.393 0 1 EIAF O=C(c1ccc(O)cc1)[C@@H]1c2ccsc2CCN1Cc1ccco1 962716542 ZGBJZYJGYAIBNE-SFHVURJKSA-N 339.416 4.029 0 1 EIAF CCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1 1857563471 XEFUCVUEFXVJSU-UHFFFAOYSA-N 328.500 4.036 0 1 EIAF CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@@H]1CC[C@H](C)CC(=O)O)[C@H]23 2356636162 XJCVTENZYOPEPX-HXFZCFMMSA-N 334.456 4.192 0 1 EIAF Clc1ccc(-c2nnc(-c3ccco3)nc2N2CCCCC2)cc1 6995565 KWHDWTHKORZLON-UHFFFAOYSA-N 340.814 4.442 0 3 EIAF COc1cc(OC)c(-c2noc(C)c2-c2ccccc2)c(OC)c1 13583266 GJFOCNRTTJWVLG-UHFFFAOYSA-N 325.364 4.343 0 1 EIAF CCCCCOCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13644435 UCGGVDAPMCFWNI-UHFFFAOYSA-N 336.520 4.241 0 1 EIAF in-vivo O=C(NCCCn1cnc(-c2ccccc2)c1)c1ccc(Cl)s1 25990000 IHQNZBHTLCZZFX-UHFFFAOYSA-N 345.855 4.085 0 1 EIAF COc1cc(OC(C)=O)cc2c1C(=O)O[C@@H](C)CCCCCCC2 40617116 GXBQIDXPHKYBSC-ZDUSSCGKSA-N 334.412 4.063 0 1 EIAF O=C(NC(=O)c1ccccc1F)NC1c2ccccc2-c2ccccc21 43022323 GZLZYMPDNNIIAK-UHFFFAOYSA-N 346.361 4.035 0 1 EIAF Cc1cc(C)c(C)c(O[P@](=O)(O)[C@@H](N)CCc2ccccc2)c1 49071548 LDVPNWDYQLIKCA-GOSISDBHSA-N 333.368 4.094 0 1 EIAF c1ccc(COc2ccc([C@@H]3C[C@@H]3NCc3ccccn3)cc2)cc1 69879433 PUKPTRPSSAXMPI-VXKWHMMOSA-N 330.431 4.306 0 1 EIAF O=c1c2c(oc3ccc(F)cc13)-c1ccccc1OCCCCO2 299860798 HDKAGWNATMWCOI-UHFFFAOYSA-N 326.323 4.151 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586887889 JPVCUDJVIQHGLR-TVQRCGJNSA-N 336.222 4.410 0 1 EIAF CC(C)C[C@H](O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586902027 VZGOHVUFKNOQMC-ZDUSSCGKSA-N 341.249 4.192 0 1 EIAF Cc1ncc(-c2nc3ccc(F)c(C)c3[nH]2)c(C)c1Br 586978919 LJZWIQDEEXXCEN-UHFFFAOYSA-N 334.192 4.452 0 1 EIAF c1sc([C@@H]2CCCO2)nc1-c1nc2ccc3c(c2[nH]1)CCCC3 587016859 OULBREGCDKTIFC-HNNXBMFYSA-N 325.437 4.417 0 1 EIAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587168556 ITXLHDZXQACHIG-QMMMGPOBSA-N 325.265 4.256 0 1 EIAF COc1ccc([C@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403483 NHTLHTJLSAQYJV-HXUWFJFHSA-N 325.408 4.103 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)CC(C)(C)C[C@H]1C 587487262 ZQHPIDKTUKDKKH-MPBGBICISA-N 330.424 4.074 0 1 EIAF CCOC(=O)c1c(-c2nccn2C)[nH]c2ccc([C@@H](C)CC)cc12 587644019 ZAETUFLGCPTAPL-LBPRGKRZSA-N 325.412 4.259 0 1 EIAF CCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587752722 FIDXOYJMXFUKPQ-HWPZZCPQSA-N 337.236 4.033 0 1 EIAF CCCOc1ccccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873053 BNBDWCWJMRCYOQ-UHFFFAOYSA-N 338.338 4.272 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587963069 LHQGEGYRFKDJED-HTQZYQBOSA-N 346.736 4.273 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccnc1C(=O)OCC 963226319 HRBRELVWZCWKBH-YWZLYKJASA-N 338.451 4.004 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC1OCCO1)C(C)(C)C 963242943 QTGLBLYRUIPHMI-IERDGZPVSA-N 331.500 4.348 0 1 EIAF COc1ccc(NCCNc2ccnc3cc(Cl)ccc23)cc1 1772617140 VIBMAZAWRAVEEI-UHFFFAOYSA-N 327.815 4.421 0 1 EIAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]24CNC(C)=C2CC[C@H]34)C1 2356739732 YDHWVBOTXSGPIM-KMRSQDGUSA-N 328.544 4.474 0 1 EIAF OCc1ccccc1-c1nc(NCc2ccccc2)nc2ccsc12 61928672 UTLJUFHUCIGHBW-UHFFFAOYSA-N 347.443 4.463 0 3 EIAF COc1ccc(CN2CCC(COc3ccc(F)cc3)CC2)cc1 14952 LEBJQHZCSIQTPM-UHFFFAOYSA-N 329.415 4.125 0 1 EIAF O=C(O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1 1646713 KJTVMDDFYCCVQS-UHFFFAOYSA-N 333.269 4.090 0 1 EIAF CCCN(CCc1ccc(O)cc1)CCc1ccc(Cl)c(O)c1 13730714 TVBDCIGJBCAZFA-UHFFFAOYSA-N 333.859 4.248 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26386058 YUEVEZWXYBGVTF-YAAWGTGPSA-N 345.527 4.301 0 1 EIAF COc1ccc2c(c1)CCCC=C2c1cc(OC)c(OC)c(OC)c1 34851532 RLZFONZVIMKSTI-UHFFFAOYSA-N 340.419 4.489 0 1 EIAF CC(C)CN(Cc1c(F)cccc1C(F)(F)F)C1CCNCC1 36093155 VRPFRMLBGQJJSX-UHFFFAOYSA-N 332.385 4.055 0 1 EIAF CCOc1ccc(-c2cc(NCc3cc(F)cc(F)c3)ncn2)cc1 82160311 RKAMGXBVMWXZBA-UHFFFAOYSA-N 341.361 4.433 0 1 EIAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 95555311 DZPXGKJWGJRSKF-ICSRJNTNSA-N 344.861 4.303 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 253994969 WYLVHBJTPIXZSO-OWQNAKTJSA-N 332.484 4.243 0 1 EIAF CC(=O)Nc1ccc(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 299835579 WNQJLTDGHVFXBM-UHFFFAOYSA-N 333.313 4.131 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@@]54C)[C@@H]2CC[C@@H]13 299850415 SGXWBMFFSSZDCX-IQEIBETJSA-N 330.468 4.140 0 1 EIAF COC(=O)[C@@H](F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586995936 NQCNFZYCCBOBGB-KRWDZBQOSA-N 349.361 4.247 0 1 EIAF Fc1cc(Cl)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043447 ZOTCGEWHUBXEFW-CABCVRRESA-N 347.846 4.302 0 1 EIAF Cc1cc(Br)cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c12 587079064 FVXMBOWHNJTXJU-MRVPVSSYSA-N 339.624 4.093 0 1 EIAF Clc1cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2cn1 587085336 PHCCCSOIALFUAX-UHFFFAOYSA-N 337.766 4.203 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587163515 LFXACBFDEIAUGM-OAHLLOKOSA-N 337.320 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(N)cc3)o1)O2 587388745 GIXBITZPRROXNI-LJQANCHMSA-N 334.375 4.126 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](COc1ccccc1C)CC2=O 587477006 DGDIINTUBZNWPM-CQSZACIVSA-N 326.392 4.066 0 1 EIAF CCCOc1ncccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587484807 GEFDIGXLPBGQJD-SFHVURJKSA-N 341.407 4.235 0 1 EIAF O=C1C[C@@]2(C=COc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587510778 WKMXHRMPEZRFSB-OAQYLSRUSA-N 336.362 4.471 0 1 EIAF COc1cccc2cc3c(nc12)[C@@H](c1c[nH]c2cc(F)ccc12)NCC3 963049735 ALMZGPGSOVBKRO-OAQYLSRUSA-N 347.393 4.099 0 1 EIAF C[C@]1(c2ccc3[nH]c(O)cc3c2)c2ccc(F)cc2C[C@H]2CCCN21 963099513 HXQJVTLFSZFKJN-UTKZUKDTSA-N 336.410 4.297 0 1 EIAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@H](C)CCC[C@@]1(O)C2 2356550787 ZCINKZJXUAGQKT-QRKUABHPSA-N 334.456 4.332 0 1 EIAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@H](N)C2 2356775731 QGIOCPSTZPMMEK-DSMCQNTQSA-N 343.511 4.416 0 1 EIAF COc1ccc(-c2[nH]ncc2CN(C)[C@H](C)c2cccs2)c(F)c1 13596442 LSKJOVKAOHMSKG-GFCCVEGCSA-N 345.443 4.479 0 3 EIAF COc1cc2[nH]c(-c3cc(C)ccc3C)cc(=O)c2cc1-c1cnco1 13487594 YEVMPOADNPUQGL-UHFFFAOYSA-N 346.386 4.476 0 1 EIAF CC(C)c1ccc2c(c1)C[C@@](Cc1ccc(Cl)cc1)(C(=O)O)O2 13604931 HBNZHTOIZRRHEO-IBGZPJMESA-N 330.811 4.464 0 1 EIAF CC[C@]1(O)CCC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C 17148206 XFKKWOBQJWQESO-ITLFGBGFSA-N 346.511 4.308 0 1 EIAF CCC(=O)c1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 26391462 FQLKIFDWIYYAGS-UHFFFAOYSA-N 333.192 4.264 0 1 EIAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1CC1CCC1 26650362 ZXIGHFLRSGWDLS-UHFFFAOYSA-N 343.430 4.151 0 1 EIAF COC(=O)C1=C(C)N(c2ccccc2)C=C[C@@H]1c1ccc(OC)cc1 52566323 ZCLUCBLRPLHKTO-LJQANCHMSA-N 335.403 4.260 0 1 EIAF Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12 62154052 LEOUBHRICJROPC-UHFFFAOYSA-N 346.415 4.193 0 1 EIAF CC[C@H]1CCCCN1c1cc(Oc2cc(OC)cc(OC)c2)ncn1 82067335 HELAUBBWDYDRLW-AWEZNQCLSA-N 343.427 4.055 0 1 EIAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1 100804751 WWOVBVYUUUDWEQ-URZJWIJPSA-N 336.479 4.029 0 1 EIAF O=C(Cn1ccc(=O)c2cccc(C(F)(F)F)c21)c1ccc(F)cc1 102745689 OHEWYWCKTUIHTI-UHFFFAOYSA-N 349.283 4.042 0 1 EIAF COc1ccc(-c2nc3ccccn3c(=O)c2-c2ccccc2)cc1 103238355 RGWPDHLMVIDTLL-UHFFFAOYSA-N 328.371 4.037 0 1 EIAF Brc1cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586882785 BWVCGOUITBLSCB-ZZTKVPBPSA-N 332.245 4.188 0 1 EIAF CC[C@]1(C)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586885750 ACZDNHUXYJWKML-BJOHPYRUSA-N 337.217 4.016 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)c(F)cc2[nH]1 586916356 LQWCUQPWPMCGNM-JLTOFOAXSA-N 338.382 4.227 0 1 EIAF CCCC(Br)(CCC)c1nc2cccc(C(=O)O)c2[nH]1 586971844 YXISOYCKIUUQLU-UHFFFAOYSA-N 339.233 4.452 0 1 EIAF O=C1CCc2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc2N1 587084659 FONAAWDMDZEQCQ-UHFFFAOYSA-N 348.793 4.316 0 1 EIAF FC(F)(F)c1ncc2nc(-c3cc4ccccc4c(Cl)n3)nc-2[nH]1 587085702 BQBLQDBSECBCGA-UHFFFAOYSA-N 349.703 4.192 0 1 EIAF CCOC(=O)[C@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105622 BMHNLLFBMIDBTA-GFCCVEGCSA-N 331.371 4.113 0 1 EIAF COc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cn1 587111731 HGRIZWFSXFPXIM-UHFFFAOYSA-N 344.296 4.201 0 1 EIAF Cc1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2cc1Br 587135245 WTIBNOCBYAULIS-UHFFFAOYSA-N 338.155 4.161 0 1 EIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587150021 JBPWTIDENMGSHR-LURJTMIESA-N 328.240 4.398 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587153382 ZGABXSKSFYMWMO-QWHCGFSZSA-N 342.345 4.289 0 1 EIAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587169585 ZUEMWGVJBXOYOH-QMMMGPOBSA-N 325.265 4.256 0 1 EIAF O=C1c2ccccc2-c2c(CCC(=O)C3CC3)cnc3cccc1c23 587208217 SFEBLOFELPDYTJ-UHFFFAOYSA-N 327.383 4.358 0 1 EIAF O=C(/C=C\c1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccccc1 587243559 GDNVTSNZGIWTTG-KTKRTIGZSA-N 347.296 4.113 0 1 EIAF COc1cc(C)c(N)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587250058 RQLUSOCTXVTSEL-UHFFFAOYSA-N 339.292 4.287 0 1 EIAF COc1cc(Cl)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587376453 CZSGWFIFHRQWLM-GOSISDBHSA-N 331.799 4.120 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC4(CCC4)Oc4ccccc41)[C@@H](C2)C3=O 587454819 YSLRUOUPTSSHJE-AOMKIAJQSA-N 348.398 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 587477565 DBLWOEYVXFJPPA-MAODMQOUSA-N 342.435 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc[nH]c1C(C)(C)C)CC2=O 587487830 XCPZUIPHWQNCSQ-HNNXBMFYSA-N 328.412 4.072 0 1 EIAF CSC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587843170 HHPBJLMESXSOLW-AMIZOPFISA-N 330.266 4.059 0 1 EIAF COc1cc(C)c(OC)n1-c1cc(Cl)cc(Br)c1 587939829 FXTDDYUJCFXWBW-UHFFFAOYSA-N 330.609 4.219 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 587969864 AVINFQTUNZHFNT-UHFFFAOYSA-N 344.336 4.409 0 1 EIAF COc1ccccc1[C@H](C)NC[C@H]1C[C@@H]1c1cc(F)ccc1OC 1772583664 BONWNEKKSLDYSH-VBQJREDUSA-N 329.415 4.297 0 1 EIAF COC(=O)c1ccc(-c2nccc3c2[nH]c2ccc(OC)cc23)cc1 1857610606 MKJHSEVFRPFLST-UHFFFAOYSA-N 332.359 4.178 0 1 EIAF CC(C)=CCCC(=CCCC(=CCCC(C)=CCO)C(=O)O)CO 2356558556 CQVPQVUCJIFYMK-UHFFFAOYSA-N 336.472 4.162 0 1 EIAF CC(=O)Oc1ccc2c(c1)CC[C@]1(C)[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]21 2356605757 PYRGOWFQJKEJMV-UKAVVXHISA-N 326.436 4.427 0 1 EIAF O=C(NCCc1c2n(c3ccccc13)CCCc1ccccc1-2)C1CC1 13494178 RAODIKBVAJWZCA-UHFFFAOYSA-N 344.458 4.323 0 1 EIAF C[C@H]1CN(CCC(=O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13832987 IQGJBVSSFDCTAJ-HTAPYJJXSA-N 337.463 4.265 0 1 EIAF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C 27431345 QDBZAAWPKCEIBY-ROUUACIJSA-N 335.495 4.209 0 1 EIAF C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@H]3CC[C@@]21CC 34049485 ISHXLNHNDMZNMC-HPGAOUIUSA-N 327.468 4.144 0 1 EIAF world Cc1ccccc1NC(=S)N1CCC(c2cccc(Cl)c2)=N1 40863313 OWMFUYOZPOPCFU-UHFFFAOYSA-N 329.856 4.455 0 1 EIAF Nc1nccc2ccc(NCc3cccc(Br)c3)cc12 66166998 PLGCSVDCLCLBIF-UHFFFAOYSA-N 328.213 4.192 0 1 EIAF NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cccc(Cl)c12 72125178 VYMXTTQKWUVBCN-UHFFFAOYSA-N 342.830 4.213 0 1 EIAF COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1 84727735 IAMJPMODZCXNEP-UHFFFAOYSA-N 346.386 4.200 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(F)cccc3CC[C@H]21 100620817 IFAMBMVGFAAIHL-FXAWDEMLSA-N 348.421 4.419 0 1 EIAF CC(=O)OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 100808769 AUASRRWSKHUBGZ-HPZKWAALSA-N 347.458 4.269 0 1 EIAF Oc1ccc2c(c1)CCN([C@H]1CC[C@H](c3ccccc3)CC1)C[C@@H]2O 101376901 GUYOIYKANZNIKE-KPLVRAHFSA-N 337.463 4.010 0 1 EIAF CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3s2)ccc1F 204408394 GUMFYODHJBGHSI-KRWDZBQOSA-N 344.455 4.209 0 1 EIAF CC(=O)c1ccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 586881260 VJYAYKPWWTWCBU-UHFFFAOYSA-N 348.793 4.495 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586887998 JZQCBHJLNXWVDY-HTAPYJJXSA-N 346.430 4.040 0 1 EIAF O=C1O/C(=C\c2nc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc21 586905846 FASPVWLDNYIWSE-ZSOIEALJSA-N 330.265 4.250 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1 587062041 NTZZTRYRICXZHL-AWEZNQCLSA-N 330.771 4.445 0 1 EIAF Cc1ccc2c3c(c(CCC4OCCO4)cnc13)-c1ccccc1C2=O 587100931 IXPFNKBYAMLIKH-UHFFFAOYSA-N 345.398 4.060 0 1 EIAF O=C(CCc1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1 587162722 KZQLAXJCOHBJMM-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587163514 LFXACBFDEIAUGM-HNNXBMFYSA-N 337.320 4.372 0 1 EIAF CN(C)c1ncccc1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 587195061 AMTPBAFXSWMPQA-UHFFFAOYSA-N 344.418 4.270 0 1 EIAF Cc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Cl 587239316 PIYIHXJNZQCGDA-UHFFFAOYSA-N 327.815 4.323 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O 587448135 ZBWHJFDQZNLZJZ-SGXKBVARSA-N 334.415 4.481 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C)n3ccccc13)CC2=O 587486768 LEUJQUXUWZUZEO-GOSISDBHSA-N 336.391 4.007 0 1 EIAF Cc1c(-c2ccc(Br)cc2O)[nH]c2c(C(=O)O)cccc12 587637222 XXLWYDPURZIPLX-UHFFFAOYSA-N 346.180 4.310 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2)N1 587818183 GNUFONSNTXPCGD-BMLIUANNSA-N 348.215 4.024 0 1 EIAF CCCc1ccc2oc(C(=O)[C@H]3CCC(=O)NC[C@H]3C)c(C)c2c1 621485674 FGHRKUGZMFDZHV-DOMZBBRYSA-N 327.424 4.039 0 1 EIAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1ccco1 653681810 WLNHFWZZOOBEHX-QGZVFWFLSA-N 335.359 4.025 0 1 EIAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccc(F)cc1 653845328 KAPZXICQYPHIAN-OAQYLSRUSA-N 347.393 4.314 0 1 EIAF Cc1sc2c(c1C)CCN[C@]2(C)[C@H]1CCc2ccccc2C1=O 963035094 YXAIYSRXSIGERF-FXAWDEMLSA-N 325.477 4.171 0 1 EIAF COc1ccc(-c2ccc3nc(C)n(-c4ccccc4)c(=O)c3c2)cc1 1857609952 MAXVMDZZLVMUBI-UHFFFAOYSA-N 342.398 4.370 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@H]1C 2356475887 UBSPYRWVKFNYNH-NZEZWHPISA-N 330.424 4.028 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@H]1C 2356675169 JMPCBBCNNVGUKM-WJFKRZNGSA-N 330.424 4.028 0 1 EIAF Fc1ccccc1-c1n[nH]c(=S)n1N/C=C1\C=Nc2ccccc21 13120347 RDFXSLSQKGTTOA-ZHACJKMWSA-N 337.383 4.047 0 3 EIAF CN1CCc2cc(F)c(O)cc2[C@H]1C1(c2ccccc2Cl)CC1 28476445 AXNBRAABOINRNO-SFHVURJKSA-N 331.818 4.446 0 1 EIAF CCCCN1CCN(CC)[C@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 40488721 PNGLITRWIUZBTJ-PZJWPPBQSA-N 325.500 4.201 0 1 EIAF COc1cc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)ccn1 68205245 IVLAPVBXSZHTRN-UHFFFAOYSA-N 343.386 4.419 0 1 EIAF O=C(c1ccc(Cl)c(O)c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 96169301 QKSGQFJURMZWEC-WMZOPIPTSA-N 341.838 4.380 0 1 EIAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNC(=O)Nc1ccc(F)c(F)c1F 101434532 ONBSSNHALHDLOT-AXFHLTTASA-N 326.362 4.298 0 1 EIAF O=C(Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1)c1ccccc1O 200690655 JUMWDYADCIPCDU-AATRIKPKSA-N 348.354 4.193 0 1 EIAF CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3ccccc32)cc1 210211996 PEOQQGFVMCJWNI-OALUTQOASA-N 326.392 4.305 0 1 EIAF O=C1[C@@H]2[C@@H]([C@H]3C[C@@H]2[C@H]2[C@H]4C=C[C@@H](C4)[C@H]32)[C@H]2[C@H]3C[C@@H]([C@H]4[C@H]5C=C[C@@H](C5)[C@@H]34)[C@@H]12 254134326 NCVGHTNYYDKVAM-LBGNRZAPSA-N 344.498 4.210 0 1 EIAF COC(=O)C1=CCCC(C)=C[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 299806728 NVBLQPUZABQFTK-QKNQBKEWSA-N 346.467 4.259 0 1 EIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(F)cc3[nH]2)c1 587242260 QRVYTYQTVXEKIS-UHFFFAOYSA-N 343.358 4.422 0 1 EIAF CSc1nc(Cl)c(C(=O)c2coc3ccccc23)c(Cl)n1 587280925 ISHKAVTYFDFFEG-UHFFFAOYSA-N 339.203 4.483 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)c(Br)c1)O2 587376189 IDPMWGYQPSMPQC-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cc(F)ccc3s1)O2 587384568 MPJJIQNUIUVMIN-AWEZNQCLSA-N 328.368 4.033 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(F)cc1Cl)O2 587386686 WCJJWWGELLEYPY-SFHVURJKSA-N 333.790 4.336 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(N)ccc31)CC2=O 587473381 SXVXARDVBFFJJA-NRFANRHFSA-N 337.419 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccnc3c1O)CC2=O 587486458 BXZRIPHKIQOPDZ-SFHVURJKSA-N 349.386 4.305 0 1 EIAF C[C@@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508157 SJYJQVLQJSLPHW-FQEVSTJZSA-N 344.357 4.430 0 1 EIAF O=C1C[C@@H](c2c[nH]c3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587526272 QNQYAAXMBUEVBY-FQEVSTJZSA-N 333.387 4.459 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587584680 ADSXYUPIPVRRGZ-RXVVDRJESA-N 347.370 4.107 0 1 EIAF Cc1c(O)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612418 VFNMZRMBEDECBE-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF Cc1ccc(O)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612473 WCSSDWHBJOVSHT-RXVVDRJESA-N 348.354 4.109 0 1 EIAF CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cn1 587629274 HVCWRFPMRTTXPW-UHFFFAOYSA-N 341.720 4.292 0 1 EIAF O=c1ncccn1-c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631736 KQLBTGYFDOVYIN-UHFFFAOYSA-N 339.757 4.173 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccnc1C 587860328 QZIHXVIGUDGZDA-UHFFFAOYSA-N 349.221 4.343 0 1 EIAF COc1ccc(-c2ccc(-c3nc4ncccc4[nH]3)cc2)cc1OC 587928532 IRXGJNIFYGSHEH-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CCn1cc(Cl)c([C@H]2NCCc3cc(-c4ccccc4)ccc32)n1 962666828 LSCDXCNVWRJMKF-IBGZPJMESA-N 337.854 4.459 0 1 EIAF O=C(Cc1ccccc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 1772627514 UQLJZDKWSMEBGE-SFHVURJKSA-N 340.810 4.064 0 1 EIAF CCn1cnc2c(-c3ccc(F)c(-c4ccnc(C)c4)c3)cnnc21 1857565022 LQOWCMQAYXDGFL-UHFFFAOYSA-N 333.370 4.023 0 1 EIAF CCCCCC=CCC=CCC=CC[C@@H](O)[C@@H](O)CCCC(=O)O 2356432596 GFNYAPAJUNPMGH-MOPGFXCFSA-N 338.488 4.382 0 1 EIAF COc1cccc(N(C)C(=O)[C@@H](C)[C@@H](O)c2ccc3ccccc3c2)c1 203466930 MDGDKPVQMCMWNW-YCRPNKLZSA-N 349.430 4.181 0 3 EIAF CC1CCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)CC1 1842589 RTHJIPJVGHYRMG-UHFFFAOYSA-N 328.843 4.390 0 1 EIAF O=C(c1ccc(Cl)cc1)c1ccc(O[C@@H]2CN3CCC2CC3)cc1 13528277 PXFAACCCJKQJNK-LJQANCHMSA-N 341.838 4.044 0 1 EIAF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCCO)=N1 26570966 RAHZGNVURKMLJY-SSZFMOIBSA-N 339.439 4.313 0 1 EIAF COC(=O)C1=CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 27727714 PEBIDOLWCLZEAI-UHFFFAOYSA-N 347.458 4.314 0 1 EIAF Cc1cnc(NC(=O)C2=C(O)c3ccccc3SC2(C)C)s1 28094874 DQXHGECHNZTYAI-UHFFFAOYSA-N 332.450 4.244 0 1 EIAF O=C(O)C[C@@H]1CCCc2c1n(Cc1cccnc1)c1ccc(F)cc21 28109126 CTTXJPIPQATLAA-AWEZNQCLSA-N 338.382 4.118 0 1 EIAF N[C@H]1C[C@@H](N2Cc3ccccc3C2)CC[C@@H]1c1cc(F)c(F)cc1F 28822669 HODJCMYQBLFCSM-MDOVXXIYSA-N 346.396 4.083 0 1 EIAF CCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 45357729 BDMWELNCLZHBOG-UHFFFAOYSA-N 340.858 4.113 0 1 EIAF COc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1Cl 49111449 KEUCALMEMNCWOR-UHFFFAOYSA-N 343.766 4.361 0 1 EIAF CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1ccccc12 66136465 BXNOABVERIFQPY-UWJYYQICSA-N 335.403 4.038 0 1 EIAF COc1cccc(Cn2c([C@H](C)N)nc3cc(C(F)(F)F)ccc32)c1 72141543 MFNXELILMQAZRY-NSHDSACASA-N 349.356 4.132 0 1 EIAF CC(=O)Nc1cccc(-c2ccc3ncc(-c4ccccc4)n3n2)c1 74385993 CHRDNENWXSWODY-UHFFFAOYSA-N 328.375 4.022 0 1 EIAF Cc1nc2ccc(O)nc2n1-c1cc(Cl)c(Cl)cc1Cl 118271929 VFZGASATCOAZAH-UHFFFAOYSA-N 328.586 4.395 0 1 EIAF N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 148891019 HNKLJSLPSPDIEF-NHCUHLMSSA-N 328.415 4.421 0 1 EIAF O=C(Nc1nc(-c2ccncc2)cs1)N[C@@H]1CCc2ccccc21 166905031 XGVCACISIMVTBC-OAHLLOKOSA-N 336.420 4.014 0 1 EIAF O=C1Cc2ccccc2N1CCCCCN1CC[C@H]2CCCC[C@@H]2C1 299832226 SROBTXJTPXDWNJ-UYAOXDASSA-N 340.511 4.258 0 1 EIAF COC(=O)c1ccc2nc(-c3c(C)ccc4ccccc34)[nH]c2c1OC 586884067 PFHCGLLESYUHBV-UHFFFAOYSA-N 346.386 4.487 0 1 EIAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(Br)o3)nc12 587008329 SWMKVETYGGUQGC-UHFFFAOYSA-N 347.090 4.484 0 1 EIAF Cc1ccc2c(ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c32)n1 587017809 ZYXQXUGDLQYOCK-OAHLLOKOSA-N 336.420 4.395 0 1 EIAF Cc1c(-c2nc3c(Cl)ncnc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166231 VTFZFDKGQYDORE-UHFFFAOYSA-N 341.777 4.126 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2c1 587174016 BYMWSCRPXVMZKM-UHFFFAOYSA-N 345.280 4.096 0 1 EIAF O=C1C[C@@]2(CCc3ccc(Cl)nc32)Oc2c1ccc1c2CCCC1 587497080 FJLJWUDGFKNMAV-HXUWFJFHSA-N 339.822 4.421 0 1 EIAF CN(C)/C=C\[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513232 RDHCVVFECWRWHN-SQZREULQSA-N 327.468 4.391 0 1 EIAF O=C1C[C@H]([C@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 587535651 MTTVXMKVZWFMIL-IIBYNOLFSA-N 334.415 4.151 0 1 EIAF CC1=CCC[C@@H]2[C@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CCOC1=O 2356517838 VZBIAQHLXQZJGZ-ACSHBGDTSA-N 332.440 4.113 0 1 EIAF CSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)c1ccccc1 13533151 AAXQEELWFXEVAH-UHFFFAOYSA-N 338.436 4.080 0 1 EIAF CN1Cc2ccccc2[C@@H]2c3cc(O)c(Br)cc3CC[C@@H]21 13739908 LGYJRJSIABNMNK-FUHWJXTLSA-N 344.252 4.047 0 1 EIAF O=C(O)CCCCCCC[C@H](O)[C@@H](O)CCCCCCCCF 15217179 DYQPCSNLXMQTCT-IRXDYDNUSA-N 334.472 4.224 0 1 EIAF biogenic C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)c5nocc5C[C@@]43C)[C@@H]1CC[C@@H]2O 31829842 YOGRZKPYNPSDSH-CBSVXNQBSA-N 329.440 4.103 0 1 EIAF c1ccc(N2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1 33886104 YNOWHDNGRNBDQJ-UHFFFAOYSA-N 346.474 4.431 0 1 EIAF Clc1cccc(Cl)c1CO[C@@H]1CCCC[C@H]1N1CCOCC1 38694869 XENQVRODCYBGEK-IAGOWNOFSA-N 344.282 4.153 0 1 EIAF CN(C)c1ccc(-c2cc3ccc(OCCCF)cc3oc2=O)cc1 71329419 CTHYNVPZMGSMPP-UHFFFAOYSA-N 341.382 4.264 0 1 EIAF Cc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1C 71340296 VWGCEWAAKULBFO-UHFFFAOYSA-N 348.237 4.198 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 96282283 OIGWHIGVVSNMHC-DHDCSXOGSA-N 345.807 4.243 0 1 EIAF Cc1ccc(/C(=C/C(=O)NCCc2ccccc2)c2ccncc2)cc1 103187130 BPDFOHIUOSDKAU-XLNRJJMWSA-N 342.442 4.181 0 1 EIAF Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2C(=O)O)n1 103233749 IXGZICVBTAXKPM-UHFFFAOYSA-N 332.359 4.008 0 1 EIAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(Oc3ccccc3)cc2)C1=O 169720230 ZRNQPLQZPDKUGI-BFUOFWGJSA-N 326.417 4.259 0 1 EIAF Cc1ccc(Cl)cc1Nc1nccc([C@@H]2C=NN3C=CC=C[C@H]23)n1 169720368 VKFGTQLGVBXMLC-WMLDXEAASA-N 337.814 4.019 0 1 EIAF Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C 220989103 RYNBYOQGSRBPKZ-UHFFFAOYSA-N 347.418 4.427 0 1 EIAF c1cnc2c(c1)nc(-c1ccc(-c3nnco3)cc1)n2C1CCCC1 299828727 SSIMRBNYZCNFTK-UHFFFAOYSA-N 331.379 4.263 0 1 EIAF c1cc(-c2c[nH]nc2C2CCCCC2)nc(N2CCCCCC2)n1 299849836 CIQLYHXFKLUGNZ-UHFFFAOYSA-N 325.460 4.295 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1 586880911 CZSQFZFMPJWQLK-AATRIKPKSA-N 334.162 4.133 0 1 EIAF O=C1O/C(=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586907878 YDKARQJJEJRCQW-NTUHNPAUSA-N 348.255 4.389 0 1 EIAF Brc1ccnc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587041166 AJUKQMYEDRFADK-NSHDSACASA-N 332.226 4.110 0 1 EIAF Fc1cc(Cl)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587075864 LQYQLJYERIFOKK-UHFFFAOYSA-N 348.168 4.257 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587088787 RRTZAMXRPOAGMZ-LURJTMIESA-N 333.169 4.014 0 1 EIAF FC(F)(F)Oc1cccc(CSCc2nc3cccnc3[nH]2)c1 587121737 FLLJBBAJJQHTSA-UHFFFAOYSA-N 339.342 4.290 0 1 EIAF NC(=O)c1cccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145938 VJFBOHFULYATPI-UHFFFAOYSA-N 349.340 4.274 0 1 EIAF Clc1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 587230235 QDEWYRDEKZKXHR-UHFFFAOYSA-N 335.798 4.285 0 1 EIAF O=C1C[C@@H](c2cccc(-n3ccnc3)c2)Oc2c1ccc1c2CCCC1 587515629 MTHGUZRDTULLTJ-NRFANRHFSA-N 344.414 4.458 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cnc2ccccc2n1 587871293 FDNLOZAHEXQISQ-UHFFFAOYSA-N 334.354 4.020 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3c(C)ccnc3[nH]2)cc1 587934733 FMXUWAQQARQLAM-GOSISDBHSA-N 329.403 4.455 0 1 EIAF COc1ccc2c(c1)C[C@H](c1nc3c(C)cnc(Cl)c3[nH]1)CC2 587936512 DGNRCPQAAXZQEE-GFCCVEGCSA-N 327.815 4.201 0 1 EIAF CN(c1ccc2nc(O)sc2c1)c1nc(-c2ccccn2)cs1 653872960 CRPQUNBPUQJQJE-UHFFFAOYSA-N 340.433 4.288 0 1 EIAF C[C@]1(c2ncn3ccccc23)c2ccsc2CCN1Cc1ccco1 962710489 LMNJBMHVLQLKIT-HXUWFJFHSA-N 349.459 4.311 0 1 EIAF CC(C)(C)C[C@@]1(C2CC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732368 ZYKGMMWQFJLKGT-YJBOKZPZSA-N 339.401 4.374 0 1 EIAF CC[C@]1(Cc2ccc(OC)c(OC)c2)NCCc2cc(Cl)ccc21 963377643 CQQQCLYUJMROLQ-HXUWFJFHSA-N 345.870 4.351 0 1 EIAF Cc1cccc(-n2cc([C@]3(C)NCCc4cccc(Cl)c43)cn2)c1 963391458 UGEMAKMSMYHFEF-FQEVSTJZSA-N 337.854 4.243 0 1 EIAF CCCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218717 TWFAAJVSGLATQX-UHFFFAOYSA-N 340.448 4.318 0 1 EIAF CNCCC[C@]1(C)Cc2ccccc2N(c2ccc(F)c(F)c2)C1=O 28527808 OMMZYEKKLHJLJY-HXUWFJFHSA-N 344.405 4.192 0 1 EIAF COc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1 29126372 NDEXJKLNXFESDA-UHFFFAOYSA-N 349.221 4.195 0 1 EIAF CC(=O)Nc1cccc(COc2cccc3cnccc23)c1Cl 29559560 IQPIKVPJANQXST-UHFFFAOYSA-N 326.783 4.426 0 1 EIAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1 38214497 HLDABEWWCKSKRE-UHFFFAOYSA-N 345.446 4.190 0 1 EIAF CC1=CC(=O)C[C@@H]2[C@]1(C)CC(=O)[C@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 53229961 WCWSAYZIPUPYKD-KCBCOUFJSA-N 334.456 4.034 0 1 EIAF biogenic CC[C@@H](C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1 64744240 AEXWHNCQYTYTMP-QAPCUYQASA-N 343.492 4.121 0 1 EIAF in-vitro Cc1ccc2cc(-c3n[nH]c4ccc(N[C@H]5CCCNC5)cc34)[nH]c2c1 66077225 FDGMBQPEHIDLGV-INIZCTEOSA-N 345.450 4.184 0 1 EIAF N=C(N)c1cccc(-c2cc(Cl)cc(-c3cccc(C(=N)N)c3)c2)c1 96908126 YAGPHQYVKMITDA-UHFFFAOYSA-N 348.837 4.242 0 1 EIAF Oc1c2c(nn1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2 101463428 UQEWDIUXVPZRBG-UHFFFAOYSA-N 339.398 4.406 0 1 EIAF CC1(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)CCCCC1 115793139 NOLSQKHQZWSPLG-RVDMUPIBSA-N 331.437 4.360 0 1 EIAF CCC[C@@]1(CC)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 138567866 KEUJJTRTIUPKJJ-INIZCTEOSA-N 345.222 4.392 0 1 EIAF CCc1c([C@H](C)c2c(F)cccc2F)nc(SC(C)C)[nH]c1=O 169352240 YLLFITRMRCSBNH-SNVBAGLBSA-N 338.423 4.263 0 1 EIAF C[C@]1(Oc2cncc(Cl)c2)CCN(Cc2cc3ccccc3[nH]2)C1 230559625 MYGNPMXGOVEGAS-IBGZPJMESA-N 341.842 4.260 0 1 EIAF CN(C(=O)C(C)(C)C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1 299871614 YWWYFJINRGHQRA-UHFFFAOYSA-N 347.422 4.115 0 1 EIAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cccc21 586912459 SGJAIWJCMUBYRB-UHFFFAOYSA-N 333.313 4.314 0 1 EIAF Cc1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586918021 ZYVYQKRWBQAPSW-AWEZNQCLSA-N 345.196 4.146 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(=O)O)cc2[nH]1 587013016 XVJMLVDNFKSLTK-UHFFFAOYSA-N 349.415 4.284 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 587122738 DCOVFDXXDPSLFG-JQWIXIFHSA-N 349.360 4.351 0 1 EIAF Oc1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135332 XGTDYJJQOUPHPF-PLNGDYQASA-N 326.224 4.134 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1OCC1CC1)O2 587384678 HQVSBZOHXWXLTH-IBGZPJMESA-N 341.382 4.212 0 1 EIAF COc1ccc2[nH]c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)c2c1 587397964 ZHEGENKZHFXXSA-SFHVURJKSA-N 336.391 4.082 0 1 EIAF O=C1C[C@@](CO)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587503490 URENGXHNOSLNTG-HXUWFJFHSA-N 342.822 4.072 0 1 EIAF CC(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513208 QRZJUPIXVGTPTB-QFIPXVFZSA-N 349.430 4.404 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(C)cnc(Cl)c2[nH]1 587927048 NEUHRKJQZFWIBT-LBPRGKRZSA-N 345.830 4.479 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 587933439 XPKOREJHAJSOAE-UHFFFAOYSA-N 336.782 4.301 0 1 EIAF N[C@@H](N=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 957626649 BBPZKUGITDAPLX-ZDUSSCGKSA-N 345.708 4.057 0 1 EIAF CC(C)n1nccc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962692311 AYZWTJWPQVTQNT-AUUYWEPGSA-N 345.487 4.056 0 1 EIAF Fc1ccc2c(c1)CC[C@@]1(C2)c2c(F)cccc2C[C@H]2CCCN21 963105433 QKBXUIYSSRHXAE-WIYYLYMNSA-N 325.402 4.370 0 1 EIAF Cc1ccc(F)cc1COc1ccccc1C(=O)Nc1cccnc1 1857585099 LZZHTMJRNQQFCF-UHFFFAOYSA-N 336.366 4.360 0 1 EIAF COc1cc(-c2nc3ccccc3c3cc[nH]c23)cc(OC)c1OC 1857644310 XEGUTHRMEWCXKY-UHFFFAOYSA-N 334.375 4.409 0 1 EIAF COc1c(C)c(OCC=C(C)CCC=C(C)C)cc2c1[C@H](O)OC2=O 2356807412 WIJVPUYDKZTGKO-HXUWFJFHSA-N 346.423 4.236 0 1 EIAF COc1cc([C@H](O)c2nc(-c3cccc(F)c3)cs2)ccc1F 61905687 FCSWHIUAUONORV-INIZCTEOSA-N 333.359 4.179 0 3 EIAF Cc1c(-c2ccccc2)nnn1C1CCN(Cc2ccccc2)CC1 21391 VUXXDICFUUFOIZ-UHFFFAOYSA-N 332.451 4.091 0 1 EIAF Cc1cc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)no1 4940212 HRSBIERHULNTIP-UHFFFAOYSA-N 341.798 4.316 0 1 EIAF O=c1oc(SCc2ccccc2)nc2sc3c(c12)CCCC3 13779499 ISALCKGNADJTLY-UHFFFAOYSA-N 329.446 4.421 0 1 EIAF Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCCCC4)C1=O 13834031 RLXQUWKBZWYVNI-QGZVFWFLSA-N 347.462 4.318 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904354 WGPZAVZHAGYUOL-KWVZFDLSSA-N 331.500 4.055 0 1 EIAF CCn1c(=O)n(CC)c2cc(-c3ccnn3-c3cccc(C)c3)ccc21 14958588 XHAOCYLGIWUQKQ-UHFFFAOYSA-N 346.434 4.004 0 1 EIAF Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(N)=O)cc1 26662928 KQQLPWOOUPBAII-UHFFFAOYSA-N 331.441 4.097 0 1 EIAF CSc1ccc(NN2C(S)=N[C@@H](C)[C@@H]2c2ccccc2)cc1 29332017 RGIDQVFRBZHVPG-BLLLJJGKSA-N 329.494 4.467 0 1 EIAF CSc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1 36348591 ZYDGRMLQVGNNRH-UHFFFAOYSA-N 333.420 4.281 0 1 EIAF CCCc1cc([C@@H](O)[C@@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc2n1 45324400 CRRCFFHYTPMEMW-WWLNLUSPSA-N 338.495 4.341 0 1 EIAF O=C1Cc2cnc(Nc3ccc(Cl)cc3)nc2-c2ccccc2N1 45357749 OROJQWVRCGJACT-UHFFFAOYSA-N 336.782 4.035 0 1 EIAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@@H]3CC[C@@]21C 73351223 QULFQPVZXZYVKS-LIWZUDHRSA-N 343.467 4.493 0 1 EIAF O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2c(c1)CCC2 95595912 BZHDMQWSGAHEGK-UHFFFAOYSA-N 335.403 4.366 0 1 EIAF CC(C)CNC(=O)/C=C/CCCC/C=C\c1ccc2c(c1)OCO2 95914821 PAXQNYHJDFKFEU-FKJILZIQSA-N 329.440 4.317 0 1 EIAF biogenic,in-vitro COc1ccc(CN2CCC[C@@H](CNc3ccc(OC)cc3)C2)cc1 103279753 VVELXZXKRCBTSM-SFHVURJKSA-N 340.467 4.028 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169366930 WGPZAVZHAGYUOL-CLIDLRMUSA-N 331.500 4.055 0 1 EIAF CC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CCOC1=O 238753148 VZBIAQHLXQZJGZ-HCAQKZJRSA-N 332.440 4.113 0 1 EIAF COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@@H](OC)[C@@H]2OC 238776668 QIOWNWWZXNWWMP-ZPLOVTKXSA-N 330.468 4.191 0 1 EIAF Cc1ccc(O)c([C@H](CCN(C(C)C)[C@H](C)CO)c2ccccc2)c1 299853772 PSJCLNGNXFBYQI-UYAOXDASSA-N 341.495 4.314 0 1 EIAF O=C1O/C(=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 586905954 GWOBFPGYMPIYJQ-RIYZIHGNSA-N 346.264 4.130 0 1 EIAF Cc1ccc(-c2nnc(SCc3nc4ccc(C)cc4[nH]3)n2C)cc1 586965233 HEKCCTXUQQJBBJ-UHFFFAOYSA-N 349.463 4.268 0 1 EIAF Cc1ncc(-c2nc3cncc(Cl)c3[nH]2)c(C)c1Br 586979145 RACUEVPFJYLXFC-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF CCOC(=O)c1ccc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2c1 587078929 DGWYQNIPVMRBOQ-SNVBAGLBSA-N 346.818 4.228 0 1 EIAF COc1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C(F)(F)F)c1 587098890 YQVKGRAXUWLXIA-UHFFFAOYSA-N 332.285 4.134 0 1 EIAF N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587156431 NKKICUDRCAJQIP-MEDUHNTESA-N 335.304 4.062 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587234226 DDXQUDDWLAECIE-UHFFFAOYSA-N 335.798 4.382 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O 587430200 FUEMMUSXKXLUHQ-PGRDOPGGSA-N 345.398 4.149 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)c(C)c1)CC2=O 587462479 QMJYTFYHLXFJIO-MRXNPFEDSA-N 331.799 4.408 0 1 EIAF COc1n[nH]c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587525600 OHSBXLDPPNPMRK-LJQANCHMSA-N 348.402 4.157 0 1 EIAF CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588945 VNBOKPQROUQJQK-RXVVDRJESA-N 347.370 4.054 0 1 EIAF Cc1c[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587790082 HATOUGAYFRKHRS-XXFAHNHDSA-N 337.236 4.157 0 1 EIAF O=C(CNc1ccccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873945 MTZOBVSDKVYXHA-UHFFFAOYSA-N 343.745 4.201 0 1 EIAF COc1ccc2c(c1)[nH]c1c(Cc3ccccc3)c(O)c(C=O)cc12 1772612168 QMLSLYYXNTYMSQ-UHFFFAOYSA-N 331.371 4.439 0 1 EIAF Clc1c(Cl)c(Cl)c2c(nnn2[C@H]2CCCO2)c1Cl 1648758 SJJIYQLKZGNSEF-SCSAIBSYSA-N 326.998 4.354 0 1 EIAF COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCC(C)C)cc3O[C@@H]21 5962710 JGUCMKGSUDQQQC-YWZLYKJASA-N 342.391 4.045 0 1 EIAF CC(C)Oc1c(C(N)=O)sc2ccc(OCc3ccccc3)cc12 13603720 WMTJGWQUNFHXFX-UHFFFAOYSA-N 341.432 4.366 0 1 EIAF CC(C)(C)c1cc(-c2cn3c(n2)S(=O)C=C3)cc(C(C)(C)C)c1O 27108578 LWDXRRNLIWVQMG-UHFFFAOYSA-N 344.480 4.400 0 1 EIAF CSCSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40747034 WWCOUQDEXRRTEL-FRZSKKCQSA-N 330.515 4.035 0 1 EIAF Fc1cccc(CN[C@@H]2CCCC[C@H]2NCc2cccc(F)c2)c1 66100626 FMMFCVLGNDDXKS-WOJBJXKFSA-N 330.422 4.155 0 1 EIAF O=c1oc2cc(O)ccc2c(-c2ccc(O)cc2)c1-c1ccc(O)cc1 96922045 WZWSRVMGMGNMOG-UHFFFAOYSA-N 346.338 4.244 0 1 EIAF COc1ccc(Cl)c(OC)c1C(=O)N[C@H]1CCCc2ccccc21 114428153 FBARJSJUBGXSRC-HNNXBMFYSA-N 345.826 4.165 0 1 EIAF COc1cc2cncc(Cc3cc4ccccc4cn3)c2cc1OC 145073063 LSZGRBYLXAWRKL-UHFFFAOYSA-N 330.387 4.391 0 1 EIAF CCCCc1ccc(/C=C2\CN3[C@@H]4CC[C@@H]3[C@@H](C(=O)OC)[C@@H]2C4)s1 169347554 YQQAIKWUGKLZAA-JTXHDNLUSA-N 345.508 4.130 0 1 EIAF COc1ccc(-c2coc3ccc(Br)cc3c2=O)cc1 199622205 PHCQJMOMNPTCQP-UHFFFAOYSA-N 331.165 4.231 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4CCNC4)cc3)cc12 216008863 DNDVBPXZTTXHLB-ZDUSSCGKSA-N 340.810 4.263 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@@]13COC(=O)[C@H]1CCC[C@@H]32 523041440 AYCMMSGIYHDUSS-NDOCZDNFSA-N 330.424 4.117 0 1 EIAF biogenic CC[C@@]1(C)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586885760 ACZDNHUXYJWKML-VFZGTOFNSA-N 337.217 4.016 0 1 EIAF Clc1ccc(-n2cc(-c3nc4ccc5ncccc5c4[nH]3)nn2)cc1 587076882 YJSMDYSKDIYZLR-UHFFFAOYSA-N 346.781 4.012 0 1 EIAF FC(F)(F)[C@](F)(Cl)c1nc2cccc(Br)c2[nH]1 587090317 OZGZASZKCIXAGP-QMMMGPOBSA-N 331.494 4.249 0 1 EIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(F)c2[nH]1 587113515 MGALJRPXBYGRAF-LBPRGKRZSA-N 341.283 4.102 0 1 EIAF CC(=O)c1ccc(-c2cc(-c3nc4cnncc4[nH]3)ccc2F)cc1 587139697 QQNBAFZPUCEHJA-UHFFFAOYSA-N 332.338 4.029 0 1 EIAF Oc1ccc(Nc2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1 587242681 PHEFIZLWYCAHLA-UHFFFAOYSA-N 345.358 4.408 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1C)[C@@H](C2)C3=O 587452505 DLPNDPMCXKKJAX-BTYIYWSLSA-N 334.371 4.413 0 1 EIAF O=C1C[C@H](c2ncc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587509232 QUCYAGBOFJTYCH-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF O=C1C[C@@]2(CCCc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587529419 BZAKPRGXLJJLDB-JOCHJYFZSA-N 334.415 4.468 0 1 EIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Sc1ccccc12 587537596 ILGPAZXIRXZTAH-HXUWFJFHSA-N 336.412 4.058 0 1 EIAF CNc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582331 ZSAMVVCPXQTTKM-WIYYLYMNSA-N 347.370 4.137 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C2CC2)N1 587758495 XUZOLVZJPRXAJS-QGHHPUGFSA-N 349.247 4.348 0 1 EIAF CSCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587842758 GCBFORVMKIARIU-LKFCYVNXSA-N 332.282 4.091 0 1 EIAF CCC(=O)N(C[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 653777891 PDBBHFKTVSXHEW-NRFANRHFSA-N 336.479 4.484 0 1 EIAF COC(=O)CC=C[C@@H](C)[C@@H](OC)c1cc(F)ccc1Br 1857621883 RPBLHNKNTOKICO-MEBBXXQBSA-N 345.208 4.031 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)CC[C@H]2[C@H](C)C(=O)O[C@H]2C=C1C 2356588838 JMRFSMRCASRCOV-FUJDEKNSSA-N 334.456 4.199 0 1 EIAF CCCC=C[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@@H]1OC 2356788649 CFSCKWTUQVLIEG-DNVCBOLYSA-N 346.423 4.189 0 1 EIAF Cc1ccccc1SC1CCN(Cc2nc(C3CC3)no2)CC1 12299349 NQGVYSHFDREDMS-UHFFFAOYSA-N 329.469 4.012 0 3 EIAF CCCCC[C@](O)(C(=O)NCCCc1ccccc1)c1ccccc1 13586436 WMNMITZJUSQFRG-JOCHJYFZSA-N 339.479 4.204 0 1 EIAF CO[C@@H](c1cccc(Cl)c1)[C@H]1[C@@H](c2ccccc2)CC(=O)N1C 28469726 ZGZITATXGCBJRC-QRQLOZEOSA-N 329.827 4.042 0 1 EIAF Cc1ccc(-c2ccncc2[C@@H]2SCC(=O)N2CC(C)C)cc1 28819587 HVCMFCYIEDMYJS-IBGZPJMESA-N 326.465 4.287 0 1 EIAF O=c1ccc2ccccc2n1Cc1nc2ccccc2n1CCCCF 28824447 CUWXYSGMRDVPHW-UHFFFAOYSA-N 349.409 4.149 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(C3CC3)ccc21 28964763 HCQDPMHQCMBWIJ-GOSISDBHSA-N 332.407 4.249 0 1 EIAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 39198789 HDUXULDGVMFOCZ-HNNXBMFYSA-N 328.195 4.127 0 1 EIAF CS(=O)(=O)c1ccn2cc(-c3ccc(-c4ccccc4)cc3)nc2c1 64526688 QBKAATYCRQYMOC-UHFFFAOYSA-N 348.427 4.072 0 1 EIAF O[C@@H](c1ccc(OCc2cccc(Br)c2)cc1)C1CC1 66251397 IVSVURRADAWCBU-QGZVFWFLSA-N 333.225 4.472 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(F)cc1F 72101726 MXBQCLOKSYXOLR-GOSISDBHSA-N 331.749 4.297 0 1 EIAF O=c1c2ccccc2nc(/C=C/c2ccncc2)n1Cc1ccccc1 72137897 BSENHPAZUACFFO-ZHACJKMWSA-N 339.398 4.010 0 1 EIAF Cc1nc2c(Cl)cc(F)cc2n1-c1ccc(C(=O)NC2CC2)s1 84597088 MJOUHRIZMBQKFO-UHFFFAOYSA-N 349.818 4.080 0 1 EIAF CC[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 84690958 GOHWYGFBPOPHSF-GFCCVEGCSA-N 339.826 4.479 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OCCCc3ccccc3)cc2)S1 139429421 XKQMSWUFWMPQFF-LGMDPLHJSA-N 339.416 4.022 0 1 EIAF CC/C(C)=C/C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238741430 KLFDWNXGESKDJI-XRJSEAIXSA-N 344.451 4.418 0 1 EIAF C[C@H]1CCc2sc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2C1 587033753 LOLHJMFIOUNEGI-QMMMGPOBSA-N 330.384 4.254 0 1 EIAF COc1ccc2nc(-c3nc4c(cnc5ccccc54)[nH]3)sc2c1 587035901 WLOVKUYGCCTAJF-UHFFFAOYSA-N 332.388 4.396 0 1 EIAF Fc1cc(F)c(-c2nc3cc(Cl)cnc3[nH]2)cc1Br 587137560 BHRGKJUXZGUDET-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF COc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Cl 587164322 RRZOILDKRJCQNZ-INIZCTEOSA-N 333.794 4.015 0 1 EIAF COc1ncc(F)cc1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 587175375 BZUBMGBALRPCFV-UHFFFAOYSA-N 349.365 4.352 0 1 EIAF Nc1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cnc2c(F)cccc12 587175915 CLPJFQZOBNVGBC-UHFFFAOYSA-N 332.382 4.378 0 1 EIAF CN[C@H](c1cccnc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587224832 HQDUXESFJVGQHQ-LJQANCHMSA-N 346.459 4.418 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587242461 LVPYABHAWGRFDQ-UHFFFAOYSA-N 349.312 4.011 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccsc1Br)O2 587412131 XLCSNQKHQQPMHA-LBPRGKRZSA-N 338.226 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(CC)nn(C)c1Cl)CC2=O 587460901 KYYQHCLVAGIXRV-OAHLLOKOSA-N 348.830 4.001 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)cc(F)cc31)CC2=O 587472836 VXKRGMYEJMXBAS-FQEVSTJZSA-N 344.357 4.430 0 1 EIAF O=C(O)c1cccc2c(O)c(-c3ccc(Br)cc3)[nH]c12 587639136 WDJOVWBDPITZQN-UHFFFAOYSA-N 332.153 4.001 0 1 EIAF COc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1O 587787047 PTTCDHZWODSTGI-UHFFFAOYSA-N 344.370 4.175 0 1 EIAF COc1ccc(-c2nc3cccc(Br)c3[nH]2)c(OC)c1C 587788323 XQWVFLNDQJBQLZ-UHFFFAOYSA-N 347.212 4.318 0 1 EIAF COc1ccccc1-c1nc([C@H]2NCCc3ccc(F)c(C)c32)co1 962148678 TWBBNNSPEIQINF-LJQANCHMSA-N 338.382 4.033 0 1 EIAF COC(=O)C[C@@]1(CC(C)C)NCCc2cccc(-c3ccccc3)c21 962661142 DSPXSCZSBSQOSP-JOCHJYFZSA-N 337.463 4.304 0 1 EIAF CC(=O)C[C@@]1(c2ccccc2F)c2c(F)cccc2C[C@@H]2CCCN21 963092232 AMIWPYGMOZOOJB-HRAATJIYSA-N 341.401 4.208 0 1 EIAF CO[C@]1(C)C[C@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O1 1857636340 YQFRGWIKSKDUKH-QRWLVFNGSA-N 340.350 4.209 0 1 EIAF O[C@@H]1Oc2ccccc2[C@@H](O)/C1=C/c1ccc(-c2ccccc2)cc1 1911571641 LANYTQSWWGHIRV-OZHUDADTSA-N 330.383 4.181 0 1 EIAF O[C@H](c1ccc(CN2CCCCC2)cc1)c1nc(-c2ccccc2)c[nH]1 61906986 HKWPOSMJRDSMCK-OAQYLSRUSA-N 347.462 4.144 0 3 EIAF CN(C)S(=O)(=O)[C@@H](CCCCc1cccs1)c1ccccc1 230514566 SXGUUNACPMYGGR-KRWDZBQOSA-N 337.510 4.094 0 3 EIAF COc1ccc(Cl)c(Nc2ncnc3cc(OC)c(OC)cc23)c1 14949435 RDRQLLSZGBPUMT-UHFFFAOYSA-N 345.786 4.053 0 1 EIAF C[C@H](O)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959516 KTLXOVDVEZSSEE-ZDUSSCGKSA-N 333.366 4.415 0 1 EIAF CC(C)=CCC[C@H](C)[C@@H]1c2cc(C(=O)O)cc(O)c2[C@H](C)C[C@@H]1O 15116867 AJKOJRZSLOIVHU-URLYELCFSA-N 332.440 4.425 0 1 EIAF biogenic CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@@H]3C=C12 16030766 MWMPYXXDHZQTTO-YZVAWVHESA-N 343.511 4.343 0 1 EIAF biogenic CCN(C(C)=O)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 49785437 VMJCLQJBRYQRGX-YWZLYKJASA-N 336.435 4.035 0 1 EIAF COCc1c2occc2c(COCC=C(C)C)c2ccc(=O)oc12 59586899 YBUHBSKALIMQTG-UHFFFAOYSA-N 328.364 4.168 0 1 EIAF biogenic,in-vitro O=C(N[C@@H](CCCc1ccccc1)C(=O)O)c1cccc2ccccc12 59991045 HTSYYQSYMPQXMU-FQEVSTJZSA-N 347.414 4.046 0 1 EIAF COc1ccc(Cl)cc1-c1cc(NCc2ccccc2)ncn1 82161051 XVCYZUAIUYBSTM-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2Cl)c1=O 95604753 WERVKMNWUOHVMZ-UHFFFAOYSA-N 332.831 4.171 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2C)N3C)cc1 100728762 SUEIJSZDTKIXCI-CUXKYVRBSA-N 349.474 4.475 0 1 EIAF CSc1nc(Oc2ccc(C(C)=O)cc2)cc(C(F)(F)F)n1 100901522 KJTDASBOUUXPBL-UHFFFAOYSA-N 328.315 4.212 0 1 EIAF CC(C)(C)C(=O)OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1 100909325 SHHWJFWQYLCSAZ-ZQDKMGAMSA-N 345.508 4.204 0 1 EIAF CCN1CCN(c2nc(-c3cccs3)cc3cc(C)ccc23)CC1 169353968 AXQBDUIJKFMQDZ-UHFFFAOYSA-N 337.492 4.414 0 1 EIAF CC1=CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 238768297 ZATVCCDJRSRELS-FEHORTKBSA-N 332.440 4.113 0 1 EIAF CC(C)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299877848 HYWPZZZGGWIZLQ-WMLDXEAASA-N 340.471 4.088 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883424 JLRMACLMAOUIKX-VCAMNPENSA-N 338.451 4.136 0 1 EIAF Brc1ccnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 586887457 UJGHZTDRBSETSB-SJKOYZFVSA-N 340.224 4.092 0 1 EIAF COC(=O)[C@@H](C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098289 QEKNBGSKNKKOPA-ZDUSSCGKSA-N 345.398 4.106 0 1 EIAF COc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Cl 587109515 WWIPXWCSFVPPAI-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF Cc1ccc(NC2(c3nc4ccc(C(=N)N)cc4[nH]3)CCCC2)cc1 587236966 ISDZYETXKCANGS-UHFFFAOYSA-N 333.439 4.037 0 1 EIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(F)cnc3[nH]2)c1 587241347 BGUBGWUUHLKVRT-UHFFFAOYSA-N 326.375 4.139 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 587250565 MEKDJLNPFSNGHI-UHFFFAOYSA-N 329.359 4.177 0 1 EIAF COCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351763 UYHBLKLBLJTUGQ-UYAOXDASSA-N 344.382 4.076 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)Sc3ccccc31)O2 587415739 WJEFMSYNUNUAIN-HXPMCKFVSA-N 325.433 4.322 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc(Cl)c1)CC2=O 587463670 WREOQMGFNWSADH-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF CCCCCC[C@@]1(C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 587488989 LVQDWLXYGQMTRD-IBGZPJMESA-N 334.412 4.104 0 1 EIAF C[C@@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496934 CNQZNLGBGYDIOM-IBGZPJMESA-N 327.811 4.494 0 1 EIAF Cc1ccc2[nH]nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587526453 RMOGRYWSGHHKGV-IBGZPJMESA-N 332.403 4.457 0 1 EIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(F)cc1Cl 587649438 JPSWFHLGKAXMGT-UHFFFAOYSA-N 337.803 4.339 0 1 EIAF Cc1cncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587771802 DASZRYWPMDCWMF-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CC[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775174 PLDTUOJMRFWTRI-APPDUMDISA-N 349.247 4.171 0 1 EIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587931798 TUBCXCQVXIBBFZ-SGTLLEGYSA-N 327.815 4.374 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587962070 HUTLVLNREYRMLA-YUMQZZPRSA-N 330.737 4.393 0 1 EIAF Cc1cccc(-n2ncc3c(N[C@@H]4C[C@H]4c4ccccc4)ncnc32)c1 621477847 PNPSBMPJCCVVSA-PKOBYXMFSA-N 341.418 4.092 0 1 EIAF CCSc1c(CO)cnc2ccc(OCc3ccccc3)cc12 1857630546 BIDHHFFSZQSXHG-UHFFFAOYSA-N 325.433 4.418 0 1 EIAF CC[C@H](C)C=C[C@@H]1c2ccoc2C[C@@H]2CO[C@@H](CCC(=O)OC)C[C@H]21 2356323449 LBBXLAVURLOGQS-HTBDUDNFSA-N 346.467 4.496 0 1 EIAF CCC(C)=CC=C[C@@H]1C[C@@H]2O[C@H](C=C=CBr)C[C@H]2O1 2356435114 RMVHXWSDNTZFLY-ZSELLBGZSA-N 325.246 4.278 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CN(C)C[C@H]2CC[C@@H]34)C1 2356449177 DIIHAKZLRXAZIT-ZHHZFAINSA-N 342.571 4.469 0 1 EIAF CCc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222342 ILRSUVQZPNOPRG-IRXDYDNUSA-N 339.830 4.035 0 1 EIAF C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 6067109 NROZBIHZZUIGDJ-VEVNUCLGSA-N 344.495 4.098 0 1 EIAF Cc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl 29126411 YTVHKELEXNLTAN-UHFFFAOYSA-N 333.222 4.495 0 1 EIAF CNC(=O)c1cnc(N)c2cc(-c3ccc(C(C)(C)C)cc3)sc12 73222308 YOVOSWQKQOPRCG-UHFFFAOYSA-N 339.464 4.203 0 1 EIAF COc1ccccc1CCCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103236335 RRBWARKCKQZWSS-UHFFFAOYSA-N 349.434 4.095 0 1 EIAF Cc1ccc(SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1 586964008 UZIMPOVGSWTBKH-UHFFFAOYSA-N 330.384 4.309 0 1 EIAF CCOC1=Cc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586991535 KUJADRINSZRZTH-UHFFFAOYSA-N 343.382 4.475 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587087585 DSRCAIJQOHBJGN-ZCFIWIBFSA-N 333.169 4.014 0 1 EIAF CC[C@H](C(=O)OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108219 XJOIJIYHOCWZOS-LBPRGKRZSA-N 331.371 4.113 0 1 EIAF Fc1ccc(NNC2=CCc3c(nc4cccc5c4c3CC5)C2)cc1 587212117 CTZIXIDRUXGENC-UHFFFAOYSA-N 331.394 4.072 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(Cc3ccccc3)c1)O2 587390416 MUNDXKLVUWFMJS-FQEVSTJZSA-N 332.403 4.134 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)s1)[C@@H](C2)C3=O 587424189 YARIRZNUPCYJQX-BJOHPYRUSA-N 340.322 4.264 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cccc(N)c31)CC2=O 587473244 RPGLLSCRFVXSML-OAQYLSRUSA-N 337.419 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccn(-c3ccccc3)n1)CC2=O 587479024 XRFCESYXLUPJOC-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](C1CC1)C2 587601252 CJUDVAYCRXWZKI-XQAUZQBESA-N 336.387 4.303 0 1 EIAF CC/C(=C/c1nc2ccc(S(C)(=O)=O)cc2[nH]1)c1ccc(C)cc1 587967105 KYNMMVRHGBCFJL-KAMYIIQDSA-N 340.448 4.225 0 1 EIAF CCc1ccc2c(c1)[C@]1(CCO2)c2c(F)cccc2C[C@H]2CCCN21 963094213 BTPXWKTURKWOSD-VGOFRKELSA-N 337.438 4.435 0 1 EIAF CCCN1[C@H](c2c[nH]nc2-c2cccnc2)c2ccccc2C[C@H]1C 963226280 HKVYFBOCSNVMOU-VFNWGFHPSA-N 332.451 4.218 0 1 EIAF CC1(N)CCN(c2nc(-c3cc4ccccc4s3)cs2)CC1 1857627972 XUZFOSCJUCXIGH-UHFFFAOYSA-N 329.494 4.342 0 1 EIAF C[C@@H]1CCC2=C(CC[C@H](O)C2(C)C)[C@]12C[C@@H](c1ccoc1)OC2=O 2356682990 CNPSEJMTSGFDJT-OVXHWVBHSA-N 330.424 4.161 0 1 EIAF CCCC[C@H](N)CCCCCC[C@H](C=CC(=O)O)Nc1ccc[nH]1 2356747212 YCPNWQCUZMMNHP-DLBZAZTESA-N 335.492 4.294 0 1 EIAF CC[C@@H](C(=O)NC1CCCC1)n1c(-c2ccccn2)nc2ccccc21 95598985 YFRXUJNQXQCYCZ-SFHVURJKSA-N 348.450 4.108 0 3 EIAF Fc1ccccc1-c1cc(Nc2ccncc2)nc(-c2cccnc2)n1 1498695 LANBGWJIJYMXHP-UHFFFAOYSA-N 343.365 4.483 0 1 EIAF COc1cccc2c1CCC[C@@H]2CN1CCN(C2CCCCC2)CC1 22778605 YHVGSPGZCCLSHP-GOSISDBHSA-N 342.527 4.065 0 1 EIAF Cc1ccc2c(=O)c(CSC(=S)N3CCCCC3)coc2c1 43010537 ONQUBRNQHMDFHX-UHFFFAOYSA-N 333.478 4.105 0 1 EIAF O=C(Cc1ccccc1Oc1ccccc1)NCCc1ccc(O)cc1 43075760 MVPILRQEGBIDLE-UHFFFAOYSA-N 347.414 4.086 0 1 EIAF C[C@@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1 71340286 SMYQFPQUGLKPLF-SNVBAGLBSA-N 334.210 4.142 0 1 EIAF CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl 72316000 YMCXJOJJPKTDCH-UHFFFAOYSA-N 325.884 4.496 0 1 EIAF COc1ccc(F)cc1-c1cc(NCc2ccc(F)c(F)c2)ncn1 82160364 HYHWUBPEQXIPNB-UHFFFAOYSA-N 345.324 4.182 0 1 EIAF Nc1cc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)ccc1Cl 96169333 LMVIQGMXPNRWGP-LPHOPBHVSA-N 340.854 4.257 0 1 EIAF Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@@H]2c2cc(Cl)ccc23)cc1 102879732 TXCOOSKZAPCSMJ-FZKQIMNGSA-N 347.867 4.271 0 1 EIAF CCOC(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)s1 169699706 OVMSLXCDVVLIPE-UHFFFAOYSA-N 326.373 4.263 0 1 EIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCc2ncsc21 220878766 HXOGQMOVIIHWNA-LLVKDONJSA-N 341.263 4.186 0 1 EIAF COc1ccc(CCC(=O)c2ccc(O)c(CC=C(C)C)c2O)cc1 238737390 RFZRFNUWZTVCJK-UHFFFAOYSA-N 340.419 4.431 0 1 EIAF Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586970857 KQTROMBVFSDSNP-UHFFFAOYSA-N 340.448 4.118 0 1 EIAF Fc1cc(F)c(-c2nc3cccc(F)c3[nH]2)cc1Br 587137899 RKWLBGBUQLUBIU-UHFFFAOYSA-N 327.103 4.410 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCO3 587172213 ZWXRLEGFZUZJGA-JTQLQIEISA-N 330.384 4.327 0 1 EIAF Cc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Cl 587172833 MLMKOZZYYUWWRK-GOSISDBHSA-N 344.773 4.292 0 1 EIAF COc1ccc(C)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587403143 KCBZYCXOJVNSQX-OAQYLSRUSA-N 337.419 4.091 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]ccc32)N1 587802363 LRZZCZJSLNGPFI-BMLIUANNSA-N 349.247 4.030 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587823896 SGZBECLOEVYXMO-QNTISZIASA-N 336.248 4.376 0 1 EIAF Cc1noc([C@@H]2CCC[C@@]23NCCc2cccc(-c4ccccc4)c23)n1 962660473 CNIFHAIQNCQBEE-SIKLNZKXSA-N 345.446 4.354 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1csc(Cl)c1 963049988 XOXDNSGRXNZANM-MRXNPFEDSA-N 330.840 4.193 0 1 EIAF CC1(C)C=Cc2cc3cc(-c4ccc(O)cc4O)c(=O)oc3cc2O1 1772650719 BUIUNDUERSTKCN-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CN(C)C[C@H]2CC[C@H]34)C1 2356449175 DIIHAKZLRXAZIT-FAZHRNDASA-N 342.571 4.469 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)Cc3c(C)coc3C[C@]12O 2356665782 NLCYQGGPCKLRKG-MTOHEIAKSA-N 346.467 4.122 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(CC)[C@H]1C2 2014067 XWDNADYVTFQMOY-HKUYNNGSSA-N 330.472 4.089 0 1 EIAF Cc1c(CSc2ccccc2)nc(SC2CCCC2)[nH]c1=O 5890999 WAPDMISWXCPHRZ-UHFFFAOYSA-N 332.494 4.405 0 1 EIAF CCCNC(=O)c1ccc(N2CCOc3ccc(Cl)cc32)s1 15735054 YEXYYZPPDQZXAW-UHFFFAOYSA-N 336.844 4.072 0 1 EIAF N=CC[C@@H](O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 27521178 MOVYLDZUBGRMTA-GOSISDBHSA-N 338.451 4.486 0 1 EIAF C[C@@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCCO1 34801175 OHOUPBLLXCZHSW-FHCSPTRPSA-N 331.500 4.057 0 1 EIAF COCOC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 36289307 YFEAKLGYPVTOND-ZVNTTXGISA-N 346.467 4.036 0 1 EIAF COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1 38608167 BLYHUYRAYMAUST-BVYCBKJFSA-N 336.479 4.026 0 1 EIAF O=Nc1c([C@@H]2C(=O)Nc3ccc(Cl)cc32)[nH]c2ccc(F)cc12 169723369 DOVFJZMVORPCAR-CYBMUJFWSA-N 329.718 4.442 0 1 EIAF Nc1nccc(-c2ccc3c(/C=C\c4ccccc4)cnc(N)c3c2)n1 206815662 JJWILIFLCHRBMY-SREVYHEPSA-N 339.402 4.027 0 1 EIAF C/C=C(/C)C(=O)OC/C1=C\CC/C(C)=C/[C@H]2OC(=O)C(C)=C2CC1 238739080 KGWAJNHQUWKJGM-PXUCSJRKSA-N 330.424 4.184 0 1 EIAF O=c1ccc2cc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)ccc2o1 586917015 BQRZEJSSECMHEJ-UHFFFAOYSA-N 346.264 4.235 0 1 EIAF Cc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1F 587011390 OBAVEXTWIASNHO-UHFFFAOYSA-N 326.194 4.205 0 1 EIAF FC(F)(F)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587036735 LBJXFJMTMGGSKD-ZDUSSCGKSA-N 338.354 4.500 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccsc1N)(C(C)(C)C)O2 587409265 HKWDUTIHYBTLBO-SFHVURJKSA-N 330.453 4.128 0 1 EIAF C[C@@]1(c2cc(N)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505425 NDWXDMZEQYNQRX-FQEVSTJZSA-N 325.383 4.167 0 1 EIAF Cc1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587589046 NBVMSFULVUFDLP-NQIIRXRSSA-N 349.386 4.348 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C 587617672 QIGSILQKRJSPGO-YLJYHZDGSA-N 336.343 4.305 0 1 EIAF COc1cccc(OCc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)c1 587781883 YMMUVLBBRCSDFV-UHFFFAOYSA-N 349.365 4.352 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CC2(C)C)N1 587815769 QACKTDNFFBXDEE-OYBNVQJLSA-N 326.253 4.384 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cncnc1 587859209 CRGHUIDPPCGVFV-UHFFFAOYSA-N 335.194 4.035 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(OC)nc3[nH]2)cc1 587937626 QHIQADCTGQRDNH-LJQANCHMSA-N 345.402 4.155 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1cc(F)ccc1OC(F)F)NCC2 962149596 XBBRSHFWYYWBJV-INIZCTEOSA-N 325.305 4.110 0 1 EIAF CCCCCC1=CCC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962921193 GKDQKEXTUQGEFG-NRFANRHFSA-N 326.484 4.030 0 1 EIAF Oc1ccc2c(c1)[C@@](c1c[nH]c3ccccc13)(C(F)(F)Cl)NCC2 963343427 VWXMYPLAYKBLFZ-QGZVFWFLSA-N 348.780 4.094 0 1 EIAF CC(C)=CCCC(C)=CCc1c(O)ccc2cc(C(=O)O)c(=O)oc12 2356662150 DNCCSIHFUKZOOU-UHFFFAOYSA-N 342.391 4.432 0 1 EIAF C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 36386611 FRVAFFCBUNGKIU-CQSZACIVSA-N 340.398 4.093 0 3 EIAF O=C(O)c1ccc2c(c1)/C(=C\CCN1CCCC1)c1ccccc1CO2 13455787 PXSGFJRZQDHJSY-UWVJOHFNSA-N 349.430 4.195 0 1 EIAF CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 13475344 ZOTAHNAPXDAJDO-UHFFFAOYSA-N 343.430 4.068 0 1 EIAF CN(C)C(=O)N(CCCCCC(=O)O)c1ccc(Cl)c(Cl)c1 13493730 HIGGHEYGRYCBHE-UHFFFAOYSA-N 347.242 4.126 0 1 EIAF CCN(c1nc(C)cc(C)n1)c1ccc(N(C)C)cc1C(F)(F)F 13794409 JMGZFEYPOCZUKB-UHFFFAOYSA-N 338.377 4.336 0 1 EIAF CCOc1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35086867 BKYNOIWCTQXJLI-UHFFFAOYSA-N 343.766 4.358 0 1 EIAF CN(C)CC[C@@]1(O)c2ccccc2CCc2ccc3ccccc3c21 36151765 IUXDSDVOBHKNSE-HSZRJFAPSA-N 331.459 4.126 0 1 EIAF in-vivo CC(C)N1C(S)=N[C@@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 39290305 XGYJGQKYIGFKIF-KRWDZBQOSA-N 344.411 4.158 0 1 EIAF Cc1cccc(Nc2nc3ccc(C(=N)NC(C)C)cc3s2)n1 40915075 NNMLRFSKXGYZPC-UHFFFAOYSA-N 325.441 4.067 0 1 EIAF O=c1cc(CSC(=S)N2CCCC2)oc2cc(Cl)ccc12 42965671 RBIPYYFPIYHRKF-UHFFFAOYSA-N 339.869 4.060 0 1 EIAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(Cl)cc3)cc2)S1 45372615 LSKLPNJNZITQGC-CQSZACIVSA-N 333.796 4.026 0 1 EIAF COc1ccc2cc(Cc3cc(OC)c(OC)c(OC)c3)oc2c1 45392777 OQTKYHPMLAQONL-UHFFFAOYSA-N 328.364 4.058 0 1 EIAF CN(C)C(=O)N1Cc2c(ccc3ccccc23)[C@H](c2cccc(O)c2)C1 62154030 KMNUSXHWMPTCRE-FQEVSTJZSA-N 346.430 4.175 0 1 EIAF COc1ccc(OC)c(-c2cc(NCc3cccc(C)c3)ncn2)c1 82160850 OHSDYZFPGYYQID-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF COc1nc(/C=C/c2ccc(O)cc2)cc(/C=C/c2ccc(O)cc2)n1 84689464 SGZNEGNKPRMOHP-CPJVMOPCSA-N 346.386 4.237 0 1 EIAF O=C(c1nc(-c2ccccc2)c2ccccc2n1)N1CCCCCC1 84706478 BJRULTCGZHHXPF-UHFFFAOYSA-N 331.419 4.313 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2C(=O)Oc2ccccc2)N3C)cc1 100773415 HIQHQNWJRSNELD-PMXSJFBMSA-N 335.447 4.167 0 1 EIAF CC(=O)OC[C@]1(C)CC[C@H](O)[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 238768186 XCACQWQZODGECQ-MYGLTJDJSA-N 344.495 4.354 0 1 EIAF Oc1ccc(C(c2ccc(O)cc2)C2CCC3(CC2)OCCO3)cc1 473154682 KFDLTIHAKHOUML-UHFFFAOYSA-N 340.419 4.163 0 1 EIAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(CC)c(CC)c3)nc2c1 586879367 OTWWADGGGBMHQY-UHFFFAOYSA-N 336.435 4.460 0 1 EIAF Oc1c(Br)ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883500 KKBWGGGNUZVJOE-IJZKUYQOSA-N 347.256 4.499 0 1 EIAF Brc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586885054 TZEVPEXFUNGMDY-ZSYFIWHWSA-N 332.245 4.188 0 1 EIAF CC(C)(C)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 586969318 VXGCDHSVCXQDHQ-UHFFFAOYSA-N 341.436 4.246 0 1 EIAF COc1cc(/C=C/c2nc3cc(C)cnc3[nH]2)ccc1Br 586978294 ZSRUQEIUBQDQQJ-GQCTYLIASA-N 344.212 4.208 0 1 EIAF O=C1c2ccccc2-c2cc(C3CCOCC3)nc3ccc(O)c1c23 586992858 YWOPMLKLYBEOFK-UHFFFAOYSA-N 331.371 4.046 0 1 EIAF Cc1c(Br)cc2nc([C@H](N)c3ccsc3)[nH]c2c1C 587026580 ZICXDWSPKQEWRE-GFCCVEGCSA-N 336.258 4.052 0 1 EIAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cnncc4[nH]3)c2)c1 587072454 XHIOIINUJSWCGT-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587088311 LHQRFEFFDWFIOF-MRVPVSSYSA-N 347.287 4.211 0 1 EIAF FC(F)(F)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587114159 WVVYISNVGUGPFX-UHFFFAOYSA-N 332.207 4.009 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(F)c1)O2 587380777 AJGZAMMUHHEMNI-OAHLLOKOSA-N 337.297 4.024 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587420723 IJWKXVBFLOTQRZ-SJCJKPOMSA-N 335.186 4.491 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OCC)C12CCCC2 587488759 LXLVOQFMGXKHEP-RXVVDRJESA-N 344.451 4.418 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc32)N1 587818957 SZCNRGNOKGUMIV-BBATYDOGSA-N 346.243 4.312 0 1 EIAF C[C@@H](O)CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834526 SBNHGKTZHXJYPE-UVWXRNBGSA-N 344.268 4.105 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)c1 587931982 QDZVDFFOAOPTHB-UHFFFAOYSA-N 343.386 4.173 0 1 EIAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(C)ccc2C)n1 587945127 KWESIIBLUOSXDZ-UHFFFAOYSA-N 329.400 4.315 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587952640 VAYQBVIMKYOJIG-JOQOYGCGSA-N 343.471 4.311 0 1 EIAF COC(=O)c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cn1 587959680 RXMNXFWHSNAPRN-UHFFFAOYSA-N 343.386 4.002 0 1 EIAF CC(=CCC[C@H](C)[C@@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21)CO 2356753897 NXCRMGUYKIJISM-DZKIICNBSA-N 332.440 4.426 0 1 EIAF Cc1ncc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)s1 20538796 HNXLCJHEFANYFY-AWEZNQCLSA-N 334.872 4.200 0 3 EIAF COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)c1 61904851 VTJZVFGZPYNEDM-UHFFFAOYSA-N 345.761 4.130 0 3 EIAF COc1cccc(Cn2cnc(-c3ccccc3OC)c2C2CC2)c1 95565644 VGVUFBUAOPUFAG-UHFFFAOYSA-N 334.419 4.493 0 3 EIAF O=C(NCCc1ccccc1)c1cccn1Cc1ccc(Cl)cc1 261714 SGPJRXJZSZSYNT-UHFFFAOYSA-N 338.838 4.162 0 1 EIAF COc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C)cc1OC 1978644 FXBAEUUGLPSNJF-UHFFFAOYSA-N 340.375 4.264 0 1 EIAF CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 13490269 BVLRPFAPSIXVLV-UHFFFAOYSA-N 335.451 4.239 0 1 EIAF C/C=C(\C)C(=O)OC/C1=C\CC/C(C)=C/[C@H]2OC(=O)C(C)=C2CC1 14453556 KGWAJNHQUWKJGM-UVMOLWFFSA-N 330.424 4.184 0 1 EIAF C[C@@H]1COc2c(O)c3c(c(O)c21)C(=O)C[C@@H]1C(C)(C)CCC[C@]31C 14514564 AFKBIJLWRQCMOW-MPDMTVCLSA-N 330.424 4.264 0 1 EIAF biogenic c1ccc(Nc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1 29123840 OILYUROBYHVERI-UHFFFAOYSA-N 327.347 4.281 0 1 EIAF C[C@]1(C(=O)Nc2nncs2)CC2c3ccccc3C1c1ccccc12 40406028 JPBZIHJMUSXRCT-UHYCVJNDSA-N 347.443 4.164 0 1 EIAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 40719086 NRQIOYJXOKSZCR-NKGKWGDASA-N 335.875 4.106 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 58533394 WGPZAVZHAGYUOL-BPOVIGQYSA-N 331.500 4.055 0 1 EIAF NCCNc1nccc2c3ccccc3n(CCCc3ccccc3)c12 64448910 OCFOEYPGYWZKHB-UHFFFAOYSA-N 344.462 4.193 0 1 EIAF COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@H]2CC[C@@H]1O2 84602016 ZQVAZFQVPHFFCY-HIFRSBDPSA-N 326.417 4.293 0 1 EIAF COc1ccc(-c2nnc(SCc3ccccc3Cl)o2)c(O)c1 84616297 WWYCNYDCHSZDST-UHFFFAOYSA-N 348.811 4.397 0 1 EIAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(-c3cccs3)cc1)O2 101501162 LFBAGZZBQAENDV-HPFXQQBRSA-N 328.433 4.239 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(C)=O)cc3[nH]2)s1 587014571 NHMHDCKZCINDLZ-NSHDSACASA-N 329.425 4.295 0 1 EIAF N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058701 YNPFARBHZKWXNX-GFCCVEGCSA-N 339.748 4.478 0 1 EIAF COc1cc(OC)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152777 QNLRALFBJBMDHF-NEPJUHHUSA-N 330.334 4.129 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1ccc(Cl)c(Cl)c1)O2 587375261 KQRWJYDAUZZOSF-NSHDSACASA-N 336.218 4.461 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(C(F)(F)F)c1)O2 587382088 NMZAJVMRJVTNAV-OAHLLOKOSA-N 337.297 4.008 0 1 EIAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403693 PSITVRGLVINFOO-KUDFPVQQSA-N 337.419 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CC)c1)CC2=O 587480059 DZKBEKNENYQARH-OAQYLSRUSA-N 340.419 4.493 0 1 EIAF Cc1cc(C=O)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534717 XPUNGTRGDDMDPP-LJQANCHMSA-N 336.387 4.098 0 1 EIAF COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587630258 IDIZHMLSDOUHGB-UHFFFAOYSA-N 335.737 4.482 0 1 EIAF CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1 587632930 OCLCXZIOMPERBW-UHFFFAOYSA-N 345.757 4.368 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587830059 SGUUEXXWDHFCKU-FVMDXXJSSA-N 338.220 4.367 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(O)cc3[nH]2)cc1 587937231 OSUFZWWGXQONGB-HXUWFJFHSA-N 330.387 4.457 0 1 EIAF CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 653861685 HNTRYOBVOOQKFI-UHFFFAOYSA-N 330.750 4.124 0 1 EIAF O=C(O)c1ccc(/C=C/c2ccc3cc(O)c(C(=O)O)cc3c2)cc1 1857571185 OGULXVBMCLATJA-OWOJBTEDSA-N 334.327 4.112 0 1 EIAF CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1 419003 LRYVGXVFMXCYKN-UHFFFAOYSA-N 342.420 4.355 0 3 EIAF Cc1ccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488814 WOWWREMXHNACHB-XOBRGWDASA-N 342.870 4.384 0 1 EIAF O=C(O)[C@@H]1CCCN(CCc2oc3ccccc3c2-c2ccccc2)C1 13729477 QMENRGAAMXIYKD-QGZVFWFLSA-N 349.430 4.439 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O 14774397 YUGJHEXCGCZVTH-YCRPNKLZSA-N 344.451 4.374 0 1 EIAF biogenic CNc1cc(Cl)cc(Cl)c1Oc1ccccc1CC(=O)O 26401553 YZBWZDXXWFTBHZ-UHFFFAOYSA-N 326.179 4.455 0 1 EIAF C[C@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 27899657 NNSRXNWUJQJDLG-CDPZEHBVSA-N 347.543 4.094 0 1 EIAF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3 33835286 JNGUWPGWCNEMPR-NFQYFHPZSA-N 330.468 4.472 0 1 EIAF biogenic CC1CCN(CCCOCCCOc2ccc(Cl)cc2)CC1 40918123 CVYYQTRDBUXIPV-UHFFFAOYSA-N 325.880 4.248 0 1 EIAF NC(=O)c1sc2nc(-c3ccc(-c4ccccc4)cc3)ccc2c1N 64513611 CWLSKQBOGKFRRR-UHFFFAOYSA-N 345.427 4.311 0 1 EIAF CCc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(Cl)cc1 84567131 PXAOCNSFMKXJLV-UHFFFAOYSA-N 341.794 4.173 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccc(OC)cc1 96922690 PDYNYWNQALHFBR-AQCRLBJHSA-N 334.415 4.395 0 1 EIAF C[C@H]1[C@H]2Cc3ccccc3[C@@]1(C)CCN2CCC(=O)c1ccccc1 169342324 RTGUEGOEEBSIDB-LXBDKUERSA-N 333.475 4.484 0 1 EIAF Cc1cc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3CC2)ccc1Br 169718560 PTGNGWQICRHLGX-GHMZBOCLSA-N 346.224 4.490 0 1 EIAF Oc1ccccc1/C=N/CCNc1ccnc2cc(Cl)ccc12 200449185 SJUJATRAFIXKSB-UDWIEESQSA-N 325.799 4.125 0 1 EIAF CO[C@@H](C)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1 216023380 ICTZDPPAMKGTKY-VIFPVBQESA-N 330.771 4.289 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C)C(C(=O)O)=C3CC[C@@H]12 238742347 ANHLKXBWFSLYAB-VXSCMTMISA-N 334.456 4.193 0 1 EIAF Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586890615 LDISOKFBFIWLHO-CYBMUJFWSA-N 342.704 4.022 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)c(C)cc2[nH]1 586916389 LWSZXRPWBGINHJ-KKSFZXQISA-N 334.419 4.396 0 1 EIAF COc1nccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c12 587011529 AFLXTPCBKZHMCM-UHFFFAOYSA-N 336.420 4.374 0 1 EIAF Oc1ccc2scc(-c3nc4cc(Br)cnc4[nH]3)c2c1 587033030 PJKSUKNFEQCDFL-UHFFFAOYSA-N 346.209 4.308 0 1 EIAF C[C@@H](c1nc2ccc(CCO)cc2[nH]1)c1ccccc1C(F)(F)F 587099076 WUTDKOFDDQNGKR-LLVKDONJSA-N 334.341 4.268 0 1 EIAF Fc1ccc2[nH]c(-c3nc4cc5cn[nH]c5cc4[nH]3)c(Cl)c2c1 587174828 MBSLSBQWDDICBA-UHFFFAOYSA-N 325.734 4.380 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4Cl)o3)nc2n1 587368360 HWGXIMLMWLSXMO-UHFFFAOYSA-N 339.738 4.016 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)s1)O2 587409243 HIEMGTLTQXWCTM-NSHDSACASA-N 338.226 4.108 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(C)o3)s1)O2 587412595 JKKJVOCUSYAFJC-OAHLLOKOSA-N 340.404 4.309 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(C)cc13)CC2=O 587487531 VYQGBOMOUZTYFT-SFHVURJKSA-N 336.391 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3ccccn3c1)CC2=O 587488642 RIXGPIGZACSAFA-NRFANRHFSA-N 335.403 4.478 0 1 EIAF Cn1ncc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587516386 CNLBATZIOPZUSB-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF CCn1ncc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587518062 ZRXBVQMMPOPPKZ-OAQYLSRUSA-N 338.451 4.361 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587952313 OPYDASRTSZYXAX-USBNGQNGSA-N 334.391 4.447 0 1 EIAF O=c1sc2ccc(Cl)cc2n1CCCCN1CCCCCC1 1857543077 AJQZEAWBIPLGIA-UHFFFAOYSA-N 338.904 4.373 0 1 EIAF O=C(NC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1Cl 1857586540 BNZXYKLBWJQVLH-UHFFFAOYSA-N 349.217 4.296 0 1 EIAF Fc1ccc2c(Cn3cncn3)c(-c3ccc(Cl)cc3)[nH]c2c1 1857632607 BNEXIKBHUSUXGB-UHFFFAOYSA-N 326.762 4.267 0 1 EIAF CC=C(C)C(=O)OCC=Cc1ccc(OC)c(OC(=O)C(C)=CC)c1 2356455182 JUGBCMCFZICEBB-UHFFFAOYSA-N 344.407 4.089 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)cc1F 61903525 ZRLNNDJLRGQOSK-HXUWFJFHSA-N 348.377 4.459 0 3 EIAF COCc1cccc(-c2csc([C@@H](O)c3ccc(OC)cc3)n2)c1 61904423 WAIXRUDLTIWWGG-SFHVURJKSA-N 341.432 4.047 0 3 EIAF CC(C)[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(Cl)cc2)O1 95566596 FFUQJTSTQDCUMW-CZUORRHYSA-N 336.815 4.390 0 3 EIAF Clc1cccc(Nc2[nH]nc3ncnc(Nc4ccccc4)c23)c1 3815265 XCZCKVIRXXMKJC-UHFFFAOYSA-N 336.786 4.494 0 1 EIAF Cc1c(COc2ccccc2)nc(SC2CCCCC2)[nH]c1=O 5891026 HEGUZEXBWJWYCL-UHFFFAOYSA-N 330.453 4.082 0 1 EIAF CCCN(c1ccncc1)n1ccc2cc(Br)ccc21 13745948 ZGKKKWMQYVOFGE-UHFFFAOYSA-N 330.229 4.479 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 15220428 QSXNOUPYXMWUKT-LYSPKNROSA-N 332.440 4.108 0 1 EIAF in-man CC(C)CCn1c(CN2C(=O)Cc3ccccc32)nc2ccccc21 28824380 YNJSOWDLQHUAOF-UHFFFAOYSA-N 333.435 4.172 0 1 EIAF c1cc[n+](CCCCCC[n+]2ccc3c(c2)[nH]c2ccccc23)cc1 49784443 ITGJRHQRAUMBLB-UHFFFAOYSA-O 331.463 4.157 0 1 EIAF COc1cc2ccnc(Cc3cccc(F)c3)c2cc1OCCF 72106158 QMJOTZLUOYHKFI-UHFFFAOYSA-N 329.346 4.322 0 1 EIAF NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1 95574269 CIEHEPXHQTWYBT-UHFFFAOYSA-N 337.423 4.048 0 1 EIAF C[C@@H](N1CCc2cc(COc3ccccc3)cnc2C1=O)C(C)(C)C 169326791 QMXMFTYJISWYHR-OAHLLOKOSA-N 338.451 4.094 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43/C=C/Cl)[C@H]1CC[C@@H]2O 253738004 PHKKCWVLOCDAJQ-HJFXXGLLSA-N 336.903 4.404 0 1 EIAF Cc1c(Br)ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586902774 MKDIYMZWZJRWPN-DOMZBBRYSA-N 343.224 4.203 0 1 EIAF COc1cc(/C=C/c2nc3ccc(O)cc3[nH]2)ccc1Br 586977458 PAFRSQKCXIZRLP-XVNBXDOJSA-N 345.196 4.210 0 1 EIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc[nH]c-4n3)c21 587031912 WMZCUGOZVFJNEV-LLVKDONJSA-N 335.436 4.264 0 1 EIAF Clc1ncc2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2[nH]1 587049906 JKUXANRUEUYTQS-UHFFFAOYSA-N 330.178 4.069 0 1 EIAF Clc1ccccc1CCc1nc2ccc(Br)nc2[nH]1 587059294 NVDODIWLVAUXLU-UHFFFAOYSA-N 336.620 4.159 0 1 EIAF Fc1cc(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587126834 ZUBKVDGWBWOIGN-UHFFFAOYSA-N 327.693 4.061 0 1 EIAF NC(=O)c1cccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587152992 JLEQBOSONIZTQY-UHFFFAOYSA-N 331.350 4.135 0 1 EIAF CC[C@@]1(c2ccc(Cl)c(N)c2)CC(=O)c2cc(C)cc(N)c2O1 587373544 DUFQUSNGBBHBAA-SFHVURJKSA-N 330.815 4.084 0 1 EIAF COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587402715 GSIOCFPDEICBCX-HXUWFJFHSA-N 333.387 4.446 0 1 EIAF CC(C)O[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587524585 OUUSOPMNUZIIML-WIYYLYMNSA-N 328.452 4.493 0 1 EIAF CC(C)COc1cccc(OCc2nc3cc(F)c(F)cc3[nH]2)c1 587565524 CVUVJADISXLKNQ-UHFFFAOYSA-N 332.350 4.455 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC21CCCC1 587605212 YGCVRKDPDKSNHA-UWJYYQICSA-N 336.387 4.447 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2)N1 587730804 KVNVTHNUTFWTNH-XXFAHNHDSA-N 338.195 4.351 0 1 EIAF COc1ccc(C[C@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC 587927338 SRWHFHCBKQQDAJ-VIFPVBQESA-N 349.793 4.114 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)cnc3[nH]2)cc1 587937910 RFWQYBYZLSRASC-LJQANCHMSA-N 329.403 4.455 0 1 EIAF Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)O2 653865385 ZHOSBMNCIFOAEH-TUNNFDKTSA-N 342.398 4.191 0 1 EIAF Oc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1F 962709139 NHUZUQDXUUYWJB-DJJJIMSYSA-N 347.430 4.123 0 1 EIAF CC=CC[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356615843 LTSBAPIBOQOBOR-AUUYWEPGSA-N 342.391 4.151 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356620881 HPSZQGQRLMRJLO-UPYGWULESA-N 334.500 4.322 0 1 EIAF Clc1nc2c(-c3cccs3)ncnc2n1Cc1ccccc1 1659307 ZPFRIMMYEWGPAD-UHFFFAOYSA-N 326.812 4.257 0 1 EIAF C=C(C)[C@H](O)CC[C@@]1(C)C=Cc2cc(O)c(Br)cc2O1 13430766 RPOGCBIGULLXEB-CZUORRHYSA-N 339.229 4.036 0 1 EIAF biogenic C=C1c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc21 26379106 YVKWMORDCBVMMB-UHFFFAOYSA-N 336.866 4.460 0 1 EIAF CC(C)NC[C@@H](O)COc1ccc(-c2ccccc2)c2ccccc12 28132099 ODTZWJPHEWEGMY-GOSISDBHSA-N 335.447 4.245 0 1 EIAF CNCCC[C@]1(C)Cc2ccccc2N(c2cc(F)cc(F)c2)C1=O 28527827 HWOCKNMBFVXGDK-HXUWFJFHSA-N 344.405 4.192 0 1 EIAF O=C(c1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64540016 TZFQAMTZBYHQFY-OALUTQOASA-N 341.838 4.163 0 1 EIAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21 82178709 PGBYWSHAZRJHQX-AWEZNQCLSA-N 335.455 4.362 0 1 EIAF CCCC[C@H](N)CCCCCC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 85510411 QACAYNNIVKQBHR-LHMZYYNSSA-N 334.484 4.080 0 1 EIAF biogenic,in-vitro c1cnc(C2CN(c3ccc4ccccc4n3)C2)c(N2CCCCC2)c1 145103439 NSFCGZZCYBNWFS-UHFFFAOYSA-N 344.462 4.224 0 1 EIAF C[C@@H]1CC[C@@H](C)N1C[C@@H](O)COC(c1ccccc1)c1ccccc1 169301315 PASGDOWIXPAUQU-DBXWQHBBSA-N 339.479 4.026 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3 238746207 HCXQUFPQHLFUCK-RXCZXEIFSA-N 334.500 4.181 0 1 EIAF COc1c(-c2cc(Br)ccc2F)oc2ccccc2c1=O 299838870 WHTOGUGUIDGIIX-UHFFFAOYSA-N 349.155 4.370 0 1 EIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@@H]3C=C12 504375221 MWMPYXXDHZQTTO-WCIYBSDLSA-N 343.511 4.343 0 1 EIAF biogenic CC[C@H]1C(=O)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101890 WXGZDIZOEFKWME-LBPRGKRZSA-N 327.383 4.373 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sccc1Br)O2 587410033 KNCDMRIHJRCOBL-GFCCVEGCSA-N 338.226 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(N)c1)CC2=O 587458473 CDPUFUPVIYLUNB-IBGZPJMESA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)C[C@H](C)C1=O 587478727 HKELEOFVNYPOLE-YUNKPMOVSA-N 330.424 4.074 0 1 EIAF O=C1C[C@@H](c2ccc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 587516131 YHNPSUIVMUCUJI-FQEVSTJZSA-N 348.446 4.267 0 1 EIAF COc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)F)cc1OC 587633448 CDAPABMJOUOKKT-UHFFFAOYSA-N 349.308 4.439 0 1 EIAF C[C@@H]([C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(F)(F)F 587708244 AEECVHATMQUKLV-KEHGIVTQSA-N 340.158 4.362 0 1 EIAF CCC1(CC)C(=O)NCC[C@]12NCCc1cc(-c3ccccc3)ccc12 962670994 VZSPFGHSINYIHP-HSZRJFAPSA-N 348.490 4.021 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC[C@H](c3nccn3C)C2)N1 962958590 UTRIJBPJZZSODT-WJONJSRFSA-N 348.494 4.379 0 1 EIAF CCOC(=O)c1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1 1239343359 PDMHCJYUCQMVGN-UHFFFAOYSA-N 339.420 4.154 0 1 EIAF c1cc(-c2nc3ccccc3[nH]2)nc(N2CCc3ccccc3C2)c1 1857577916 BHGOBESUTSBTHS-UHFFFAOYSA-N 326.403 4.188 0 1 EIAF N=C(N)N(CCCCCCCOc1ccccc1)Cc1ccccc1 1857599269 QNOZFSYNHYMELP-UHFFFAOYSA-N 339.483 4.412 0 1 EIAF COc1ccc([C@H](C)C(=O)c2ccc(N3CCCC3)cc2)cc1OC 1857754391 XOWFRYMVSNBVIF-HNNXBMFYSA-N 339.435 4.290 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCNC2 36381555 FOQRQYRINCSWQP-UHFFFAOYSA-N 343.477 4.019 0 3 EIAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 61895791 PRXHPWWWZMEKLE-QGZVFWFLSA-N 335.350 4.483 0 3 EIAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1ccoc1 775012 ZRWZPRYKBJQJIL-UHFFFAOYSA-N 340.354 4.413 0 1 EIAF CN(C)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1 3815187 OGYJJQMXMIANLJ-UHFFFAOYSA-N 343.228 4.202 0 1 EIAF CC(=O)N1N=C(c2ccccc2Br)C[C@@H]1c1ccccc1 28523707 KRJJPYBZKWMWRE-QGZVFWFLSA-N 343.224 4.147 0 1 EIAF C[C@H]1CC[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 28816456 YXBCRJFFPSUINZ-ZENOOKHLSA-N 327.877 4.072 0 1 EIAF C[C@H](c1cc2ccccc2s1)N(OCc1ccccc1)C(N)=O 29566851 NFMNUIGRWDTNSQ-CYBMUJFWSA-N 326.421 4.475 0 1 EIAF Cc1c(C(=O)N(CC(C)(C)C)[C@H]2CCNC2)ccc(Cl)c1Cl 45244975 JVIKPFIJPCEZJS-LBPRGKRZSA-N 343.298 4.152 0 1 EIAF CCCN1CCc2c([nH]c3ccc(O)cc23)[C@@H]1c1cccc(OC)c1 71296034 DLAYPYPWQCNBTC-NRFANRHFSA-N 336.435 4.240 0 1 EIAF C[C@@H](Nc1nc(-c2cccc(C(=O)O)c2)ccc1N)c1ccccc1 96284827 HEJGPHKQJOZTKI-CYBMUJFWSA-N 333.391 4.202 0 1 EIAF COc1ccc([C@H](OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1 100834337 AFWLTZMAQCSANY-CNNODRBYSA-N 337.463 4.426 0 1 EIAF CO[C@]12C/C(C)=C/CC[C@@]3(C)[C@H]4CC[C@](C)(O4)[C@@H]3CC1=C(C)C(=O)O2 166457677 XSSYRWDNKNIHHM-SPMUMPHESA-N 346.467 4.297 0 1 EIAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N(C)C2 169361210 NRQIOYJXOKSZCR-BNEJOLLZSA-N 335.875 4.106 0 1 EIAF Cc1cc(Br)ccc1OCc1nc2ccc(F)cc2[nH]1 586981637 RPFUFHMTQWANMY-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF Cc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F 587007089 LWMOLHLNKPUHKM-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Clc1ccccc1CCc1nc2cc(Br)ncc2[nH]1 587059686 UFRTZPFSGQEVAA-UHFFFAOYSA-N 336.620 4.159 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587132986 NFQQTUJQNYQTQR-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF Fc1cc(Br)cnc1-c1nc2ccc3ncccc3c2[nH]1 587158013 TZHOWSZFPHPLBQ-UHFFFAOYSA-N 343.159 4.075 0 1 EIAF O=C(Nc1cccc(-c2nc3ccc(O)cc3[nH]2)c1)c1ccc(F)cc1 587162680 HSLNVWRYTMOMQP-UHFFFAOYSA-N 347.349 4.327 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2ccc(Br)cc2[nH]1 587176086 MFDAVKGBFYXTGO-UHFFFAOYSA-N 340.583 4.104 0 1 EIAF Cc1cc(C)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 587233325 MTSFKQMFMDKWAW-KBPBESRZSA-N 329.444 4.341 0 1 EIAF CCC(=O)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349504 CDRYKSLHQFEJTD-ICSRJNTNSA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(Cl)cc31)O2 587379459 ISZDKQZDVUEVBH-LJQANCHMSA-N 343.810 4.264 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(C)C)cc1)O2 587398038 ADJRIPLBWAWKQK-IBGZPJMESA-N 325.408 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(C)C)[C@@H](C2)C3=O 587442429 WROYQKIEJYRYJY-HRAATJIYSA-N 338.403 4.145 0 1 EIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587527630 XMDUAAJERBHUER-NRFANRHFSA-N 338.403 4.160 0 1 EIAF Cc1c(-c2ncnn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627600 FDISOSHYXSHIRZ-UHFFFAOYSA-N 348.250 4.309 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(F)c(F)c2[nH]1 587925989 FCFXPWOKYZFYPA-NSHDSACASA-N 332.350 4.400 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1cccc3ccncc13)N(C)[C@H](C)C2 962634482 UKTYDBWXUQUNIT-PEBXRYMYSA-N 348.446 4.218 0 1 EIAF Cc1cc(OC(F)(F)F)cc([C@@]2(C)NCCc3c(C)ccnc32)c1 963066257 GDLOQWJMKMDIGW-QGZVFWFLSA-N 336.357 4.006 0 1 EIAF C[C@H]1CCC[C@@H](C)N1N/C=C1\C=Nc2ccc(Br)cc21 17950401 WOLYPCIGPGMQGS-LKUCSHHGSA-N 334.261 4.273 0 3 EIAF C[C@](O)(c1cccnc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61906075 SLNNLFIDBLHDJT-INIZCTEOSA-N 334.803 4.253 0 3 EIAF COc1ccc(NC(=S)N/N=C/c2ccc3ccccc3c2)cc1 6299317 FQQFFCUIRMPVON-DEDYPNTBSA-N 335.432 4.169 0 1 EIAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3N2O1 13436804 VMLLHZVDHFWOOM-ZFWWWQNUSA-N 330.815 4.259 0 1 EIAF CC1(C)C=C(N2CCCCC2=O)c2cc(Br)ccc2C1=O 13832173 DMWBMXGSRXSRGW-UHFFFAOYSA-N 348.240 4.025 0 1 EIAF C=C[C@]1(C)C[C@@H]2OC(=O)C3=C(CCCC3(C)C)[C@@]2(C)[C@H](C(=O)O)C1 14694857 NTAKAWMWMVZWTA-FEBSWUBLSA-N 332.440 4.112 0 1 EIAF biogenic CCC[C@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]2(C)[C@@H]1O 17312978 CVNVHOYBHQEWMN-PMHZBBCSSA-N 344.495 4.053 0 1 EIAF biogenic Cc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 22261954 CPLPGEYXSAXYJK-HXUWFJFHSA-N 341.414 4.391 0 1 EIAF CCOC(=O)c1ccc(-c2nn(-c3ccoc3)c3ccccc23)cc1 29064085 JBPOFHYGYKVWLV-UHFFFAOYSA-N 332.359 4.462 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@@H]4[C@H](CCC5=CC(=O)CC[C@]54C)[C@H]2CC[C@H]13 40449813 TYCYEAVFQIHORZ-LHQDMDDRSA-N 328.452 4.060 0 1 EIAF C=CC1=C(C(=O)NCC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 73224476 GZCOQFRSCGAMJT-MRXNPFEDSA-N 340.250 4.320 0 1 EIAF COc1ccc(F)cc1-c1cc(NCc2ccc(F)cc2)ncn1 82160285 JQFZXTVVDCABEJ-UHFFFAOYSA-N 327.334 4.043 0 1 EIAF c1cc(-c2nc[nH]n2)c2nc(Nc3ccncc3)c3ccsc3c2c1 84620024 MOSRYOLZKZQPJM-UHFFFAOYSA-N 344.403 4.373 0 1 EIAF COc1ccc([S@](=O)/C=C/c2ccccc2C(F)(F)F)cc1 103251829 NKOKZHFAODRJKO-NEQMZLFVSA-N 326.339 4.493 0 1 EIAF CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)cc1 103521141 YUVGPZQZMGXNNS-GOSISDBHSA-N 325.408 4.230 0 1 EIAF C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O 117086636 LWFXCIFAQQWLGU-VFZGTOFNSA-N 348.748 4.030 0 1 EIAF O[C@@H]1C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 586903248 OQXYNCKUVUWXDC-MEBBXXQBSA-N 347.187 4.034 0 1 EIAF O=C(O)c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023365 JOOMTFUVHOUVSK-UHFFFAOYSA-N 327.390 4.113 0 1 EIAF NC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047742 BKGQAVDIKSSHDC-VHSXEESVSA-N 346.217 4.240 0 1 EIAF COc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587093534 OFNFLCLCRHPONY-UHFFFAOYSA-N 339.342 4.288 0 1 EIAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nn1C 587105200 SIUMJPHLSZGXKS-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587358475 YPBADEXPVXPKMX-YLJYHZDGSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1ccc(Cl)c(Cl)c1)O2 587375260 KQRWJYDAUZZOSF-LLVKDONJSA-N 336.218 4.461 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C1\CCCO1)(c1ccccc1)O2 587410862 GUJNXLUVDPUBNP-CZIOWHBQSA-N 335.403 4.132 0 1 EIAF CCN(CC)CC(C)(C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509105 XMJAAZZBPCBHLI-LJQANCHMSA-N 329.484 4.267 0 1 EIAF COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600271 NNEBGEGTHOIINL-WIYYLYMNSA-N 348.354 4.104 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1[C@@H]1CCC[C@H]1O 587865738 HFJLDNIMRGRHQV-HUUCEWRRSA-N 340.345 4.054 0 1 EIAF C[C@H](C(=O)NC1CCCC1)n1c(C2CCCC2)nc2ccccc21 199235449 RRWPFXLIHSHROD-CQSZACIVSA-N 325.456 4.314 0 3 EIAF CC(C)(C)[C@@H]1CCc2c(sc3nc(C(F)(F)F)[nH]c(=O)c23)C1 307791 SOADFSVRFHBQJW-SSDOTTSWSA-N 330.375 4.154 0 1 EIAF C[C@]12CCC[C@H]1[C@@H]1CCc3cc(OS(=O)(=O)O)ccc3[C@@H]1CC2 4095891 KFFRVXQLZSOXIX-XWTMOSNGSA-N 336.453 4.114 0 1 EIAF in-vitro CN1CCC=C(c2nsnc2SCCCc2cccs2)C1 13605361 IZMNUKTYIGXXPN-UHFFFAOYSA-N 337.539 4.043 0 1 EIAF CCCCCOC(=O)CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 13644462 CCCOOYCRCFKOBH-UHFFFAOYSA-N 349.515 4.223 0 1 EIAF O=C1NC(=O)c2cc(NC3CCCCC3)c(NC3CCCCC3)cc21 13735579 XRWICMQUHCDJPG-UHFFFAOYSA-N 341.455 4.059 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2n1cncn1 13779014 SGIXQYIBOKEGHO-BPSSIEEOSA-N 341.499 4.143 0 1 EIAF COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1 26567469 VTLHRNPKSRBZBF-PMACEKPBSA-N 348.446 4.248 0 1 EIAF O=c1c2ccccc2nc(CCc2ccccc2)n1-c1ccccc1 26569803 WWLCLYXWEZYVML-UHFFFAOYSA-N 326.399 4.171 0 1 EIAF Cc1ccnc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)c1 28713273 DTANQDSROUTHIL-ZSWVUIPGSA-N 328.481 4.012 0 1 EIAF CC[C@@H](C)N1CCC(COc2nc3ccsc3n3cccc23)CC1 40891606 CGQIHTJBNZVMIH-CQSZACIVSA-N 343.496 4.438 0 1 EIAF Cc1ccc(Nc2ncc(C(=O)N3CCC[C@H](C)C3)cc2Cl)cn1 45352925 WGPFQCFVRYXRSD-LBPRGKRZSA-N 344.846 4.054 0 1 EIAF O=C(NCc1ccc(-c2ccccc2)cc1)c1cccc(=S)n1O 59114900 MTMRFPKAXBSVOX-UHFFFAOYSA-N 336.416 4.052 0 1 EIAF C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136338 NNSRXNWUJQJDLG-NOXLBMJWSA-N 347.543 4.094 0 1 EIAF CCCCc1c(O)c2cccnc2n(-c2cccc(Cl)c2C)c1=O 100818287 DKAUYZSOTAJAMK-UHFFFAOYSA-N 342.826 4.396 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@@H]1N2C 167785265 XDCKKLJZZNMBOS-RDGPPVDQSA-N 341.476 4.154 0 1 EIAF C[Si](C)(C)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 196854907 HTBZEOIWLXKLGO-INIZCTEOSA-N 331.438 4.028 0 1 EIAF Oc1cccc(-c2cnc3ccc(-c4cccc5ncccc45)nn23)c1 223800333 IMWDHJRKAWUVIW-UHFFFAOYSA-N 338.370 4.317 0 1 EIAF C[C@@H](NC(=O)[C@H]1C[C@@](C)(Cl)C1)c1ccc(Br)cc1 299846112 JBCJNLFVDSGTAE-UDZFHETQSA-N 330.653 4.034 0 1 EIAF CCCCC1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 586883281 AXCMVRUVCYVMAY-UHFFFAOYSA-N 336.457 4.274 0 1 EIAF CC(C)CC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991939 RTRKRRFLDDGFDY-UHFFFAOYSA-N 331.371 4.381 0 1 EIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587013628 VHWSXSCLUVLOHC-UHFFFAOYSA-N 327.240 4.358 0 1 EIAF CCc1ccc(-c2nc(-c3nc4ccnc(OC)c4[nH]3)cs2)cc1 587016182 RGJLYCBPZYPBLU-UHFFFAOYSA-N 336.420 4.319 0 1 EIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cccc3[nH]2)s1 587023970 XYTFQDLOMCYMNC-UHFFFAOYSA-N 334.376 4.173 0 1 EIAF CCO[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587107771 VQIZOTFPJMDQHV-CYBMUJFWSA-N 329.399 4.340 0 1 EIAF COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 587114676 XEPHFKCLAUSIRW-JTQLQIEISA-N 335.329 4.332 0 1 EIAF COc1cc(-c2nc3cccc(Cl)c3[nH]2)nn1-c1ccccc1F 587155351 FHZHZKUNHSPSSA-UHFFFAOYSA-N 342.761 4.217 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587163317 KIUGNVNHKNSOCV-CYBMUJFWSA-N 339.201 4.055 0 1 EIAF CC(C)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587259103 QEPFFKGRZOIGTJ-VIFPVBQESA-N 336.155 4.000 0 1 EIAF CC1(C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354720 RFKDCXHAALVWNM-QGZVFWFLSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cnc(Cl)cc3c1)O2 587379644 KABUZZFYBMBWLN-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF CCCn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587391091 PKOBMUGLVNXGBA-SFHVURJKSA-N 335.407 4.043 0 1 EIAF CCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428332 MHWMBDLIINSZOD-UZLBHIALSA-N 326.367 4.277 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)cnc1Cl)CC2=O 587472463 RAJARHCXPXBBAV-GOSISDBHSA-N 349.789 4.413 0 1 EIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587528880 FXJDHLKXGQDEBF-NKTRVONZSA-N 332.443 4.047 0 1 EIAF CCCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580453 XYSXHGRTGPQFJJ-GHTZIAJQSA-N 349.386 4.307 0 1 EIAF CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 587632745 KEIFIHOFTPOUGX-UHFFFAOYSA-N 345.757 4.373 0 1 EIAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790202 IBTQTHLNJZKBJG-QFYYESIMSA-N 337.236 4.157 0 1 EIAF COc1cccc(Nc2cc3nc(-c4ccccc4)cnc3cn2)c1 653737429 WDUHSVJZBUZHNP-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF Cc1cc2c(cc1F)[C@@H](c1nc(C(F)(F)F)c(C)s1)NCC2 962148689 UGIIBGPCFBVVDU-LBPRGKRZSA-N 330.350 4.153 0 1 EIAF Cc1cc(C)cc(C[C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728750 FWWWSHLOKMFNDF-ROUUACIJSA-N 347.380 4.233 0 1 EIAF Sc1nnc(COc2ccc3ccccc3c2)n1Cc1ccccc1 1772616947 KQKWIVXWONMHHW-UHFFFAOYSA-N 347.443 4.347 0 1 EIAF COc1cccc(C(=O)Nc2cccc(Oc3cccc(O)c3)c2)c1 1857632282 IAXOLXJAWUUTPU-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF COc1cc2[nH]c(-c3cccc(C)c3)cc(=O)c2cc1-c1cnco1 13487584 YVQKKYMUYMMWRH-UHFFFAOYSA-N 332.359 4.167 0 1 EIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@H]12 26392268 YFWPHJWDVIVLDC-STPLJEHOSA-N 343.511 4.175 0 1 EIAF COc1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 27546484 DKFSLQBZVWOHFK-FQEVSTJZSA-N 328.408 4.283 0 1 EIAF CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br 29046204 OZGYIQFKTKLWDA-UHFFFAOYSA-N 341.636 4.351 0 1 EIAF c1ccc2nc(CCN3CCc4[nH]c5ccccc5c4C3)ccc2c1 29486936 AIQHLPHYTDDMQV-UHFFFAOYSA-N 327.431 4.317 0 1 EIAF COc1cc2c(cc1Br)CC[C@H]1[C@H]2[C@@H]1c1ccncc1 100025647 BKRNEVWSNKCMMT-CSMYWGQOSA-N 330.225 4.296 0 1 EIAF O=c1oc(-c2cccc(O)c2)cc(O)c1SCc1ccccc1 142235806 FVEMWMDOZAQFGE-UHFFFAOYSA-N 326.373 4.010 0 1 EIAF Cc1cc(Cl)ccc1OC1=NCC(=O)N(C)c2ccc(Cl)cc21 169344228 PVFNAKQGDSQBMU-UHFFFAOYSA-N 349.217 4.104 0 1 EIAF c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 586893506 ZQUAXXKTFWBFOF-YCRPNKLZSA-N 332.403 4.096 0 1 EIAF CC[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991509 NXAVJTLHHAOYNU-GFCCVEGCSA-N 331.371 4.234 0 1 EIAF Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Cl 587034687 JMCMNOGCIKQKBH-UHFFFAOYSA-N 345.855 4.005 0 1 EIAF CCOC(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587149533 HELIONJWMLTZFD-VMPITWQZSA-N 328.318 4.188 0 1 EIAF COCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351761 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GYPFTOJVOYWYGO-QQFBHYJXSA-N 346.471 4.428 0 1 EIAF Oc1nncc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951311 YGZPNLLXFMKXBN-ZHACJKMWSA-N 330.347 4.021 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c3ccccc3nn2C)N1 962938958 AUYAXFJBTAFXAX-XCLFUZPHSA-N 330.435 4.068 0 1 EIAF COc1ccc(-c2cccc([C@H]3NCCc4c(C)ccnc43)c2)cc1 963074755 XWPKOZXZJJIAIB-OAQYLSRUSA-N 330.431 4.301 0 1 EIAF CCC[C@]1([C@@H](CC)C(=O)OC)c2c(F)cccc2C[C@H]2CCCN21 963087390 CMROWYXILWWGSX-GUXCAODWSA-N 333.447 4.041 0 1 EIAF C[C@@H](c1ccccc1)[N@]1O[C@]12CC[C@@]1(C)[C@H](CCCC13OCCO3)C2 1857626465 XENZARRASDXGFQ-ZFVOUSBOSA-N 343.467 4.425 0 1 EIAF CC=Cc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](C)O2 2356507781 HDXJIAOVHJAFLG-BLVKFPJESA-N 342.391 4.344 0 1 EIAF C[C@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(-c3cccnc3)cc21 61927797 FZKUFIKUNROIBD-OAQYLSRUSA-N 332.378 4.340 0 3 EIAF CO/C=C(/C(=O)OC)c1ccccc1[C@H]1C[C@@H]1c1ccc(OC)cc1 6041752 GRBBSRKBFCGPHD-ZWWAOTTBSA-N 338.403 4.127 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccccc1 27088623 GVRWOAOXVLIPNH-UHFFFAOYSA-N 325.339 4.253 0 1 EIAF CSc1nc(Nc2ccc(Br)cc2)c2cccnc2n1 27646422 QXTPKBAYXHLXLO-UHFFFAOYSA-N 347.241 4.253 0 1 EIAF CNc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978527 UJVGCRMWOCTARW-KRWDZBQOSA-N 349.217 4.128 0 1 EIAF Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccccc3Cl)C2)cc1C 53314714 RVZPCKKTXIBTBZ-KRWDZBQOSA-N 343.883 4.352 0 1 EIAF CN1CC=C(c2c[nH]c3cc(NC(=N)c4cccs4)ccc23)CC1 72105031 ZDQVFEQUDNDGSS-UHFFFAOYSA-N 336.464 4.386 0 1 EIAF O=C(Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccc1 84688952 ZWULWVVSFYTLPZ-UHFFFAOYSA-N 329.355 4.144 0 1 EIAF Cc1nc2cc(NC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2n1C 100621272 XJDLLAUVYPUPNQ-MGPUTAFESA-N 340.471 4.314 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587066761 HDNKBBRISWLCEE-UHFFFAOYSA-N 326.709 4.339 0 1 EIAF COC(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345106 DVPSAJWYACGQTD-YLJYHZDGSA-N 344.382 4.074 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(C)c1)(C1CC1)O2 587381807 LMTPBJPCQDBLEM-FQEVSTJZSA-N 325.383 4.295 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1N)(C1CCCC1)O2 587389489 KTRVRIUSGZBECX-OAQYLSRUSA-N 336.435 4.210 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1cc(F)ccc1F)(C(C)C)[C@@H](C2)C3=O 587422038 BWQJPXMLPLYZOB-MGPUTAFESA-N 344.357 4.272 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O 587430194 FUEMMUSXKXLUHQ-AVRDEDQJSA-N 345.398 4.149 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CC(C)=O)CC2=O 587476843 BNFKOIXEWWYHIB-JLTOFOAXSA-N 330.424 4.218 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1cccnc1)CC2=O 587492072 WMAZHXKWQSBOMG-LAUBAEHRSA-N 337.419 4.411 0 1 EIAF O=C1C[C@@H](c2cc(Cl)nnc2Cl)Oc2c1ccc1c2CCCC1 587498607 JICGKNFZWVXWNJ-AWEZNQCLSA-N 349.217 4.369 0 1 EIAF O=C1C[C@@H](COc2ccccc2F)Oc2c1ccc1c2CCCC1 587504021 LWHJWZNJRMLTKY-AWEZNQCLSA-N 326.367 4.117 0 1 EIAF O=C1C[C@@]2(CCCc3scnc32)Oc2c1ccc1c2CCCC1 587538031 MIFVBBZPISKNNE-LJQANCHMSA-N 325.433 4.219 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(F)(F)F)N1 587709555 NMQLFFUHVOAFAS-MADCSZMMSA-N 340.158 4.290 0 1 EIAF Cc1ccncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774677 NTGKYDFIWJZFQO-APPDUMDISA-N 349.247 4.089 0 1 EIAF CC[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775177 PLDTUOJMRFWTRI-GTNSWQLSSA-N 349.247 4.171 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587964097 YQBGZHGFLPKYSI-RKDXNWHRSA-N 328.359 4.333 0 1 EIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cccc(F)c21 1857598462 JJUZCLHHBIPRDH-UHFFFAOYSA-N 346.405 4.480 0 1 EIAF CCCCC[C@@H](O)[C@H](O)CC=CCC=CCC=CCCCC(=O)O 2356521996 SYAWGTIVOGUZMM-RTBURBONSA-N 338.488 4.382 0 1 EIAF C[C@]12CC[C@H](CC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356816996 DGNCIMCPMIGWCU-GACVUSGFSA-N 334.500 4.481 0 1 EIAF CC[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 13488793 ILPYDESJPQRILS-XLIONFOSSA-N 342.870 4.466 0 1 EIAF CCCCS(=O)(=O)NC[C@H](C)c1ccc(-c2ccccc2F)cc1 13835051 CVDWIPBTNXEZHS-HNNXBMFYSA-N 349.471 4.316 0 1 EIAF C[C@H]1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1 45340141 DYAMDVYBLGVRFS-ZDUSSCGKSA-N 329.831 4.351 0 1 EIAF CCOc1cccc(-c2nc(CNCCc3ccc(C)cc3)co2)c1 72103122 QEEQVDLHJWEVEO-UHFFFAOYSA-N 336.435 4.381 0 1 EIAF CC[C@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 84690959 GOHWYGFBPOPHSF-LBPRGKRZSA-N 339.826 4.479 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C 103212053 WPNXICJHRZQRMC-HUVTZIOQSA-N 332.440 4.252 0 1 EIAF COc1ccc2nc3occc3c(OC)c2c1/C=C/C(C)(C)OC 138808554 UXFOFGRXTPFDNH-CSKARUKUSA-N 327.380 4.436 0 1 EIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCC3)c2cn1)c1ccccc1 261145806 NVARGAFVVAPDGY-GFCCVEGCSA-N 335.411 4.108 0 1 EIAF CCOc1cc(/C=C/c2nc3cncc(C)c3[nH]2)ccc1OC(F)F 587129019 AOIMMMJNQYTGCX-FNORWQNLSA-N 345.349 4.437 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3)nc1)O2 587394243 RQTGVCCTYHPPCR-IBGZPJMESA-N 346.386 4.471 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(N)c1)CC2=O 587458474 CDPUFUPVIYLUNB-LJQANCHMSA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(COCc1ccccc1)CC2=O 587479210 MCBUHFXCROMJOD-NRFANRHFSA-N 340.419 4.285 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCN2)CC(=O)c2ccc3c(c2O1)CCCC3 587522412 FTESKGCDVBBOJV-JOCHJYFZSA-N 349.430 4.250 0 1 EIAF COc1ccc(O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524883 NHCAQQGCKCTEOQ-NRFANRHFSA-N 338.403 4.160 0 1 EIAF Cc1nccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587527687 VJZMRDUSHUBVDD-IBGZPJMESA-N 332.403 4.457 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c[nH]1 587550407 AGHHCKPVWOVHGU-MAUKXSAKSA-N 341.750 4.077 0 1 EIAF CS(=O)(=O)c1c(-c2cccc(F)c2)[nH]c2ccc(F)c(Cl)c12 587630838 QYSBQMKPNVIESS-UHFFFAOYSA-N 341.766 4.170 0 1 EIAF CCC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587813868 QFFZLRLIMRLHCE-BJOHPYRUSA-N 342.252 4.169 0 1 EIAF CC(C)[C@@H]1C[C@]2(CCO1)c1ccsc1CCN2Cc1cccnc1 962990852 BYWPPBLSWRHYLN-AZUAARDMSA-N 342.508 4.232 0 1 EIAF COc1cc(OC)c2cc(C(=O)NC3CCCCCCC3)[nH]c2c1 1857598043 PYXPYVRLQLTGTB-UHFFFAOYSA-N 330.428 4.028 0 1 EIAF C[C@@H]1CC[C@@]2(C)[C@@]3(CCC[C@@]2(C)O)c2c(O)ccc(O)c2C[C@]13C 2356794190 KZOZFNNSDNJQOZ-HJSZTXSCSA-N 330.468 4.269 0 1 EIAF COc1ccccc1-c1c[nH]c([C@H](O)c2cc(Cl)cc(Cl)c2)n1 61905703 HFUGTBVUFJILEP-MRXNPFEDSA-N 349.217 4.474 0 3 EIAF CC(=O)Nc1cc(-c2cccnc2)cn2c(-c3ccc(F)cc3)cnc12 61929043 VUTMXPKKLWRPIA-UHFFFAOYSA-N 346.365 4.161 0 3 EIAF CC(C)=C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 1630954 DFGWDORZGHNHKH-GOSISDBHSA-N 341.476 4.471 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 1660265 PWSUMDGDQAYHSM-PRJVBOEPSA-N 348.490 4.155 0 1 EIAF CCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 40631932 UELAURFQPFZWFY-UHFFFAOYSA-N 349.453 4.133 0 1 EIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC[C@H](c2ccccc2)C1 45389943 RKMDPZGRAJLGJP-HACWHYBMSA-N 338.495 4.400 0 1 EIAF O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O 45498571 LHGSGTVATLBNGO-UHFFFAOYSA-N 346.430 4.277 0 1 EIAF Clc1cccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)c1 74387350 SVCVKTPTNCSRNW-UHFFFAOYSA-N 349.777 4.445 0 1 EIAF O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1-c1ccccc1 95554980 CJBHSSONGRBTGV-UHFFFAOYSA-N 335.190 4.051 0 1 EIAF C[C@@H](O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1 95572316 QFIBLESNRBUFEZ-GFCCVEGCSA-N 332.831 4.450 0 1 EIAF CCCOC(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143480446 XMADOBIZRBYTDQ-QGZVFWFLSA-N 336.309 4.032 0 1 EIAF CCCCCN1[C@@H]2CC[C@@H]1[C@@H](c1cccs1)[C@@H](C(=O)OCC)C2 169341565 AWUJPTFXAHTXHU-HPFXQQBRSA-N 335.513 4.438 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)C(F)(F)F 169367191 BZEWSQBMUDXXBU-MQYQWHSLSA-N 331.765 4.038 0 1 EIAF C[C@@H](N=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169684384 JVDJIXURSRFUDF-JGVMTBIOSA-N 347.499 4.196 0 1 EIAF C[C@@H]1CCCN1c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 169708926 QGWYSTBAKRATDB-KZULUSFZSA-N 333.353 4.454 0 1 EIAF Clc1ccccc1Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1 203007062 CMBGRYVLBSPIET-UHFFFAOYSA-N 326.791 4.218 0 1 EIAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(Cl)cc12 299854448 ZBEQZRMGMFYEQT-PRSFTHDCSA-N 330.859 4.042 0 1 EIAF COc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cn1 586980156 LMZUEEFXETZGKH-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587024656 DFUQNRIYMACJAV-SNVBAGLBSA-N 331.750 4.345 0 1 EIAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cncnc2[nH]1 587040380 KABJCDYTIXXKIY-UHFFFAOYSA-N 345.431 4.198 0 1 EIAF COc1cccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587075179 FCLUULJOPLSGJM-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cc(OC)cc(OC)c2[nH]1 587155041 ISTFXNJBSRPVMW-AWEZNQCLSA-N 330.359 4.249 0 1 EIAF C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340141 SFRSYHJIKLMEQP-PZJWPPBQSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]cc1-c1ccccc1)O2 587396700 NYIXHPGREMFKNB-NRFANRHFSA-N 332.403 4.453 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccccc1F)CC2=O 587469239 YTYSZMQRCCPKPM-CQSZACIVSA-N 328.383 4.450 0 1 EIAF C[C@]1(c2cccc(O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507245 VCFRQPAQBMDQHW-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF O=C1C[C@H]([C@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 587535898 PCYARWSMPQCKQK-FYYLOGMGSA-N 348.442 4.258 0 1 EIAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586483 ILJLDMHVFIBASQ-WIYYLYMNSA-N 347.370 4.053 0 1 EIAF C[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616802 HFACJRIXFSKYNZ-APWZRJJASA-N 338.384 4.331 0 1 EIAF CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587771567 MKECTZOJKVSRSZ-BMLIUANNSA-N 349.247 4.169 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c[nH]nc1-c1cccnc1 963226277 HKVYFBOCSNVMOU-BTYIYWSLSA-N 332.451 4.218 0 1 EIAF COc1ccc(CN=c2[nH]nc(-c3ccccc3)c3ccccc23)cc1 1857535652 VRRTTXJZUPRFJC-UHFFFAOYSA-N 341.414 4.339 0 1 EIAF NC(=O)c1cc(-c2ccccc2)cc2c([C@H]3CCCC(=O)C3)c[nH]c12 1857592279 JVABDXNVXAMIRS-AWEZNQCLSA-N 332.403 4.161 0 1 EIAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1 61930411 XBPASGGFAAIVJN-QGZVFWFLSA-N 344.386 4.314 0 3 EIAF COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1CC=C(C)C 14819415 RMIHCTUWJGVJQB-HNNXBMFYSA-N 340.419 4.334 0 1 EIAF biogenic CCCCCCNC[C@H]1[C@@H]2C[C@@H](CO2)[C@@H]1C/C=C\CCCC(=O)O 26828562 COMCECHJTSVFRY-PKAPKJTHSA-N 337.504 4.009 0 1 EIAF C[C@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 29206753 YLCLGDNMRKSMDS-MLOIBFJVSA-N 347.283 4.046 0 1 EIAF Nc1nccc(-c2ccc3c(/C=C/c4ccccc4)cnc(N)c3c2)n1 45196246 JJWILIFLCHRBMY-VOTSOKGWSA-N 339.402 4.027 0 1 EIAF O=C(O)c1cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1O 73139165 WAOQWEOCFKCHFT-UHFFFAOYSA-N 337.253 4.142 0 1 EIAF COc1ccc(SC[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 84687481 YJFOATZVSUUZFI-MRXNPFEDSA-N 341.476 4.420 0 1 EIAF COc1cc(-c2ccccc2OCc2ccccc2)cc(C=O)c1O 169699594 PZQXCKRGJIWFQQ-UHFFFAOYSA-N 334.371 4.459 0 1 EIAF CCCCC[C@@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)SC 299853897 RQILNTUMDLZRIQ-HOTGVXAUSA-N 326.502 4.396 0 1 EIAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(C(N)=O)cc2[nH]1 586878099 BMGLWHQDUWRJDL-UHFFFAOYSA-N 327.387 4.304 0 1 EIAF CCCC(Br)(CCC)c1nc2ccc(CO)cc2[nH]1 586970854 KMRIQDRWECQAHU-UHFFFAOYSA-N 325.250 4.246 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F 587149712 AEJOBFZLJYXSOO-RYUDHWBXSA-N 342.345 4.274 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c2c1 587174052 DQVHARHFHUQPFH-UHFFFAOYSA-N 335.169 4.476 0 1 EIAF Cc1ccc(CCc2nc3cc(F)cc(Br)c3[nH]2)cc1N 587251111 YNQZMOGQGZNPPP-UHFFFAOYSA-N 348.219 4.140 0 1 EIAF CCCCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515203 LTHUYEFXOVTOJT-IBGZPJMESA-N 336.435 4.405 0 1 EIAF CCn1ncc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)c1C 587633623 IEJOWVQMDYMFKQ-UHFFFAOYSA-N 339.292 4.244 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587830301 SGUUEXXWDHFCKU-XXFAHNHDSA-N 338.220 4.367 0 1 EIAF CC(C)c1nn(C)c2c1[C@H](c1cccc(-c3cccc(O)c3)c1)NCC2 962917228 LSEVPKAJOJQQIW-QFIPXVFZSA-N 347.462 4.151 0 1 EIAF Fc1ccc2nc([C@H]3NCCc4c(Cl)cc(Cl)cc43)[nH]c2c1 963124562 RMBHSVGILQYOAH-HNNXBMFYSA-N 336.197 4.244 0 1 EIAF CN1CCc2c(Br)cccc2[C@]1(C)CC(=O)c1ccco1 963290382 VDKKGXUCLHBBFB-KRWDZBQOSA-N 348.240 4.018 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3C(=O)C[C@H]21 1857592865 WNOQMNFOGUEAIQ-HMXCVIKNSA-N 344.451 4.339 0 1 EIAF C[C@]12CC[C@@H]3C(=O)O[C@H](c4ccco4)C[C@@]3(C)[C@@H]1CCC=C2C(=O)O 2356407086 OVBSRGHUSFLVGK-JCRWAUQASA-N 344.407 4.111 0 1 EIAF CC(C)=CCC[C@@H]1C(=O)O[C@@H]2OC(=O)C3=CCC=C(C)CC[C@@H]1[C@@H]32 2356637969 MPYOEPDDVGSUJR-MZRZTIOWSA-N 330.424 4.078 0 1 EIAF O=C(O)c1ccc2c(c1)/C(=C\Cc1cccnc1)c1ccccc1CO2 3801387 XVVJIPXFEVFWKZ-OCKHKDLRSA-N 343.382 4.347 0 1 EIAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1sc3ccc(O)cc3c21 34804057 SVWXCDGHUFRGHG-UHFFFAOYSA-N 345.379 4.311 0 1 EIAF CC(C)c1cccc(Nc2nnc([C@H](O)c3ccccc3)s2)c1 82083114 BYWXCTYGKZNSPT-MRXNPFEDSA-N 325.437 4.487 0 1 EIAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 101248019 WJTQAIIEUXLAEB-WRJHFWDFSA-N 326.436 4.324 0 1 EIAF CC(C)n1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1 113422642 ANYFIMBPTXYTOK-UHFFFAOYSA-N 349.463 4.466 0 1 EIAF Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2 138865331 KVLMRYBNORJPIO-UHFFFAOYSA-N 342.855 4.258 0 1 EIAF CN(C)C[C@@](O)(c1ccccc1)C(c1ccccc1)c1ccccc1 169322745 JASAWULLILWNSV-HSZRJFAPSA-N 331.459 4.268 0 1 EIAF Cc1nc2cc(Br)cc([N+](=O)[O-])c2nc1-c1ccccc1 206233425 YMLSOZKJIAJMJU-UHFFFAOYSA-N 344.168 4.276 0 1 EIAF CCCC(Br)(CCC)c1nc2cnc(Cl)[nH]c-2n1 586971283 QIMIIKGIDXMBQC-UHFFFAOYSA-N 331.645 4.148 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087994 QUPNPVNYGWIDJA-HNNXBMFYSA-N 325.759 4.088 0 1 EIAF Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1C 587119312 BDQJENCGCBBFJS-UHFFFAOYSA-N 348.372 4.322 0 1 EIAF COc1c(F)ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1N 587133212 MKRVCJHXAJHCRK-UHFFFAOYSA-N 326.158 4.267 0 1 EIAF N[C@@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587155171 IHQAIPQYPNOUFZ-QFYYESIMSA-N 336.197 4.350 0 1 EIAF Cn1ncc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587516389 CNLBATZIOPZUSB-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF CCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522433 LVCQDBOTPXWDGQ-FQEVSTJZSA-N 330.424 4.023 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cc(Br)cn1 587628336 KWFDAZZCZFNVHO-UHFFFAOYSA-N 328.572 4.217 0 1 EIAF CCc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587768970 FJXKFIPUNHXGNQ-BTDLBPIBSA-N 349.247 4.169 0 1 EIAF CNCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21 653870773 WLIMBGCOZOBDJZ-UHFFFAOYSA-N 338.451 4.418 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)nc2Cl)N1 962961684 YACCTXVIABMPDI-DIFFPNOSSA-N 341.842 4.239 0 1 EIAF CCN(CCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 1857594149 WUYSKQODHVACAH-UHFFFAOYSA-N 341.451 4.276 0 1 EIAF C[C@@H](C=C[C@@H](C)[C@H](C)CO)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@H]3CC[C@]21C 2356581786 KTECGYIRZKGESY-UYCGSMACSA-N 332.484 4.121 0 1 EIAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1CC=CCCCC(=O)C1 2356795220 LSHDKABVPJCRGL-ZVXZJYCBSA-N 334.500 4.186 0 1 EIAF CN1C=Cc2c([nH]c3ccccc23)[C]1C[C@]1(C)CC[C@H](C(C)(C)O)O1 2356813650 VCJNOWZJMXUQMS-NQIIRXRSSA-N 339.459 4.063 0 1 EIAF COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1F 3814647 PUVMDHBBUPMOJV-UHFFFAOYSA-N 346.423 4.333 0 1 EIAF Cc1ccc(-c2c(CN3CCC4(CC3)OCCO4)csc2C)cc1 6895172 DUVFPACLZFSTCI-UHFFFAOYSA-N 343.492 4.371 0 1 EIAF CCCCOc1ccc(-c2c[nH]c(SCCc3c[nH]cn3)n2)cc1 13764178 QAQCBZAJKFGONS-UHFFFAOYSA-N 342.468 4.314 0 1 EIAF COc1cc2c(cc1C(C)C)CCC[C@@H](CCC[C@]1(CO)CO1)C2 15194957 GXBBGUURQXDBGS-KKSFZXQISA-N 332.484 4.245 0 1 EIAF biogenic CCc1cccc2c1[C@@H](Cc1ccc(OC)c(OC)c1)N(C)CC2 28461927 OSVSZCYVFYTBLK-GOSISDBHSA-N 325.452 4.038 0 1 EIAF COc1ccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)cc1 28713248 BXHLUMGYFXQZGU-RNJZWHOHSA-N 343.492 4.318 0 1 EIAF COc1cccc(CCc2ccccc2)c1OCCCCN(C)C 29487401 AWIGQTBMHMBKNF-UHFFFAOYSA-N 327.468 4.201 0 1 EIAF O=C(O)c1cc2c(cc1O)-c1[nH]c3c(C(F)(F)F)cccc3c1CC2 40423737 NSJAYSAFWGEXDS-UHFFFAOYSA-N 347.292 4.356 0 1 EIAF Clc1cccc(CO[C@H](CCn2cncn2)c2cccs2)c1 71317134 GONYJAXTABXEDK-OAHLLOKOSA-N 333.844 4.341 0 1 EIAF COc1cc2cncc(Cc3ccc4ncccc4c3)c2cc1OC 145068508 ZBYWSASOPCOROQ-UHFFFAOYSA-N 330.387 4.391 0 1 EIAF COC[C@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C/c1ccccc1)C2 169354969 ODBOCRLDKFDGTG-RWWZSUNMSA-N 336.431 4.046 0 1 EIAF Cc1ccc(-n2ccnc2SCc2nc3cncc(C)c3[nH]2)c(C)c1 586966078 CYYAWTWMODMCEZ-UHFFFAOYSA-N 349.463 4.361 0 1 EIAF O=C1CSc2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2N1 587043919 OZHRADZYRSBZNJ-UHFFFAOYSA-N 333.775 4.067 0 1 EIAF CCOC(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587149535 HELIONJWMLTZFD-YVMONPNESA-N 328.318 4.188 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1C 587238634 DVCNBOQRTHXYCN-UHFFFAOYSA-N 349.221 4.063 0 1 EIAF CC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357945 XGTVUILZYVRQTR-AZUAARDMSA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(C(C)(C)C)cc1N)O2 587410836 QEVAVCQOIWPBTG-IBGZPJMESA-N 344.480 4.399 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cc(F)cc41)[C@@H](C2)C3=O 587429301 UEVFJELEYGTDSP-IFXJQAMLSA-N 344.769 4.077 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O 587429334 BDOXEOLIKOHAJN-KSFYIVLOSA-N 347.414 4.158 0 1 EIAF Cc1ccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2c1 587516553 YBRNDJJOCLYQBK-LJQANCHMSA-N 332.403 4.228 0 1 EIAF CCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522948 JJNUWHNJOHSCEL-UTKZUKDTSA-N 344.451 4.269 0 1 EIAF COC[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522976 MFVIKMLZSRRRHV-QFIPXVFZSA-N 336.431 4.159 0 1 EIAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530664 GMZXAQURNBWKCL-HNNXBMFYSA-N 342.416 4.120 0 1 EIAF O=C1C[C@](CC2CCCCC2)(C(=O)O)Oc2c1ccc1c2CCCC1 587530988 XRHVDQSIYGPMHB-OAQYLSRUSA-N 342.435 4.324 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587607949 JGCAPSOUCLKEKV-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(F)cc1F 587871354 UPPPSAHGOIFZFS-UHFFFAOYSA-N 332.325 4.414 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(CO)cc4[nH]3)c2)c1 587933506 QABMJQRRJIEBRT-UHFFFAOYSA-N 346.386 4.103 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCc2nc(Cl)ccc21 963096848 DXRDZKSLTKDWPN-IFXJQAMLSA-N 328.818 4.084 0 1 EIAF CCC[C@H](C)OC(=O)C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963125063 SAXFEUKSUCNJHI-APPDUMDISA-N 344.282 4.476 0 1 EIAF CC(C)=CCC[C@@H]1C(=O)O[C@@H]2OC(=O)C3=CCC=C(C)CC[C@@H]1[C@H]32 2356637968 MPYOEPDDVGSUJR-JTWUUNPKSA-N 330.424 4.078 0 1 EIAF COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356649064 YEXGDORSPJNFAG-SEONNTABSA-N 346.467 4.154 0 1 EIAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@@H]43 2356770670 DSLVSUCNEVMWIG-NNBYOJNVSA-N 344.451 4.458 0 1 EIAF CN1C=Cc2c([nH]c3ccccc23)[C]1C[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356813649 VCJNOWZJMXUQMS-GHTZIAJQSA-N 339.459 4.063 0 1 EIAF O[C@H](CN[C@H]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 13488799 QLNZKSYBCDXUSK-MGPUTAFESA-N 340.854 4.002 0 1 EIAF CCC(=CCN1Cc2c(C)ncc3[nH]c(=S)n(c23)C[C@@H]1C)CC 27886694 CUZOKYRINGHTIK-LBPRGKRZSA-N 330.501 4.353 0 1 EIAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c[nH]c1=S 28350888 BRPAJGMIYSHGJS-LLVKDONJSA-N 344.267 4.211 0 1 EIAF COCc1cc(Nc2cccc(Cl)c2)nc(-c2ccccn2)n1 34042113 NPYFGZJFCAMFIN-UHFFFAOYSA-N 326.787 4.082 0 1 EIAF CN(c1ccc2sccc2c1)c1nc(=O)c2cccnc2s1 34570211 HTMKPWIPYFDLQG-UHFFFAOYSA-N 325.418 4.034 0 1 EIAF CCCOC(=O)c1ccc(C)cc1NC(=O)c1ccccc1Cl 40394882 AYZTYRIORFOPTN-UHFFFAOYSA-N 331.799 4.468 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H]1CCC(=O)O[C@H]12 40405746 MJBLVJGTJSGZKF-VAHKDLLLSA-N 326.436 4.180 0 1 EIAF Brc1cccc2c1[nH]c1c[n+](Cc3ccccc3)ccc12 45392725 ZMXINEBPAHJWLO-UHFFFAOYSA-O 338.228 4.419 0 1 EIAF CCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 58591514 GFYIBDPVRVQVDP-UHFFFAOYSA-N 347.281 4.327 0 1 EIAF Cc1ccc2cc(-c3n[nH]c4ccc(N[C@@H](C)CN(C)C)cc34)[nH]c2c1 66074116 OZUVLXJPLOJMED-AWEZNQCLSA-N 347.466 4.382 0 1 EIAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccc[nH]3)CO2)cc1 71296651 AAUNKYISVHFCCQ-VXKWHMMOSA-N 346.474 4.484 0 1 EIAF COc1ccccc1Oc1cc(NCc2cc(F)cc(F)c2)ncn1 82068258 WXBLRVNKANQDBY-UHFFFAOYSA-N 343.333 4.168 0 1 EIAF COc1c(C(=O)N[C@H]2CC3CCC2CC3)cc(Cl)c2c1CCCN2 136984745 KRVQICGYNDHCER-PPUFBPAQSA-N 348.874 4.015 0 1 EIAF investigational CC(C)C(=O)Nc1ccc2c(c1)-c1ccccc1[C@@]2(O)C(F)(F)F 144708693 YMTVUOAQBQHRTG-KRWDZBQOSA-N 335.325 4.060 0 1 EIAF Cc1cc(NCc2ccccn2)n2ncc(-c3cccc(Cl)c3)c2n1 473146069 CKUWNXHNNVAJGT-UHFFFAOYSA-N 349.825 4.365 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586885924 DNESZFHBHBAEPZ-OTYXRUKQSA-N 336.222 4.410 0 1 EIAF Cc1ccc(C)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 586996252 CMYUSWNIGPUSOA-OAHLLOKOSA-N 331.213 4.024 0 1 EIAF Nc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1N 587016309 UYRXPETZDXGRRK-UHFFFAOYSA-N 341.827 4.171 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587060278 JDNMRPRHIDIVBE-UHFFFAOYSA-N 343.667 4.025 0 1 EIAF O=C(/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 587167386 SBIGLIGJJKMSCC-HJWRWDBZSA-N 349.287 4.373 0 1 EIAF Nc1cccc(O)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587249756 IVZDTGURSFUGLZ-UHFFFAOYSA-N 343.692 4.070 0 1 EIAF O=C(O)Cc1c(-c2ccc(Cl)s2)nc2cccc3c2c1CC3 587361538 VJYYWTNGKGYNIF-UHFFFAOYSA-N 329.808 4.342 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)nc1)CC2=O 587489318 UGJGGGBVAVUDEM-HXUWFJFHSA-N 341.407 4.019 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(C)nc1C)CC2=O 587496467 XYXBUWHTJGUQOT-SFHVURJKSA-N 331.437 4.299 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(SC4CCCC4)cc3)nc2n1 587562701 IYKPPNRTXOWZIX-UHFFFAOYSA-N 339.420 4.138 0 1 EIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601099 QXCQOSKJECBMSD-NQIIRXRSSA-N 348.354 4.104 0 1 EIAF CC1(C)[C@@H]2[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601670 FFKFCCUBOBUARZ-ZSHSRKOISA-N 336.387 4.159 0 1 EIAF CCc1ccc(C(=O)CCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 587957384 YXOJKPRFDRNSRU-UHFFFAOYSA-N 331.778 4.128 0 1 EIAF CCN1C(=O)[C@@H](c2cccc3ccccc23)Oc2cc3c(cc21)OCO3 1857760016 OCRSOENEEBESRD-HXUWFJFHSA-N 347.370 4.055 0 1 EIAF CCOc1ccccc1O[C@H](c1ccccc1)[C@H](OC)c1ncc[nH]1 2356678687 PJDSAPORFHURTH-MOPGFXCFSA-N 338.407 4.316 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@H](C)[C@@]21C 2356741852 WXXUTDJJIXJPLZ-LOSGSANQSA-N 330.424 4.316 0 1 EIAF O=C(Cn1ccc(=NCc2ccccc2)cc1)c1ccc(Cl)cc1 2895890 XHYGKOSJRRSRPS-UHFFFAOYSA-N 336.822 4.125 0 1 EIAF biogenic Cc1cccc(C(=O)Nc2c(C(=O)N3CCCC3)oc3ccccc23)c1 9265608 GMZFIMDSLFMEIO-UHFFFAOYSA-N 348.402 4.230 0 1 EIAF CCCCO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610522 SAQGRHWSBZNSIC-LLTZGFESSA-N 344.495 4.404 0 1 EIAF CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(CN(C)C)c3c2C1 13741718 BZORTZGFMNCZKW-GOSISDBHSA-N 327.516 4.209 0 1 EIAF CC[C@H](C)Sc1nc([C@@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 13863477 QIUAPKYBHDKVCU-UWVGGRQHSA-N 338.423 4.399 0 1 EIAF CNc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1 40406666 KJPNZAVCWIDJKT-UHFFFAOYSA-N 348.446 4.236 0 1 EIAF in-vitro Cc1cccc(C(=O)NCC2CCNCC2)c1-c1cccc(Cl)c1 49793196 LYSNTSJXNCMKPF-UHFFFAOYSA-N 342.870 4.045 0 1 EIAF CCCCN1CCCC[C@@H]1[C@@H](O)c1ccnc2ccc(OCC)cc12 59796585 MHRCRNYAZDMEHG-RTWAWAEBSA-N 342.483 4.322 0 1 EIAF COC(=O)c1ccc2oc(=S)n(C(=O)CCc3ccccc3)c2c1 72114851 HFKVXJZVDCACGJ-UHFFFAOYSA-N 341.388 4.023 0 1 EIAF COc1ccc(OC)c(-c2cc(NCc3ccc(C)cc3)ncn2)c1 82161556 ZVIFNRXMJDAPPP-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82165186 MPHYKJSJLXMRGL-UHFFFAOYSA-N 342.443 4.479 0 1 EIAF COc1ccc(Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1 84710722 BNTYBMGOULOESL-UHFFFAOYSA-N 336.420 4.362 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 95914580 YQNLDLVKFNZFTI-OFQLPADVSA-N 332.440 4.105 0 1 EIAF biogenic,in-vitro Cc1ccc(Nc2nc(C(=O)N3CCC[C@@H](C)[C@@H]3C)cs2)cc1 96283041 YKFSMOUFOXUQLG-KGLIPLIRSA-N 329.469 4.456 0 1 EIAF Cc1cccc(CSc2nc3c4ccccc4nc-3c(O)n2C)c1 100705096 ASZCOSYWNXKUEO-UHFFFAOYSA-N 335.432 4.379 0 1 EIAF COc1c(O)cc2cc1Oc1ccc(cc1)CCCC[C@@H](O)/C=C\2 137121182 DLWPXKOURWULJE-CXOKCQFOSA-N 326.392 4.294 0 1 EIAF COC[C@@]1(C)C(=O)CC[C@]2(C)c3cc(O)c(C(C)C)c(O)c3CC[C@@H]12 238752051 NNFYPMHXMLVZMN-MAODMQOUSA-N 346.467 4.057 0 1 EIAF Nc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C(F)(F)F)c1 587095584 LTBOETMLQQRRNC-UHFFFAOYSA-N 346.234 4.245 0 1 EIAF C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340142 SFRSYHJIKLMEQP-TZIWHRDSSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](c3ccc(F)cc3)C1)O2 587384315 JSNZPFJQPUCFQN-XOBRGWDASA-N 325.383 4.388 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(C)C)cc1)O2 587398409 COFHIASNLGATER-NRFANRHFSA-N 339.435 4.493 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCCCC1)[C@@H](C2)C3=O 587442235 HXOAPJQKBBFRHW-JTSKRJEESA-N 349.430 4.174 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccco4)c1)[C@@H](C2)C3=O 587456405 USYVFXXNIZSNJX-KKSFZXQISA-N 332.355 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(N(C)C)CC(C)(C)C1)CC2=O 587467659 GAUUMCRCYCABBF-NRFANRHFSA-N 343.467 4.314 0 1 EIAF CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CC2)n1 587513988 CTKSUAMDBFIZOQ-LJQANCHMSA-N 336.435 4.366 0 1 EIAF CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529231 LYIKOBVJOHFEHZ-ILZGGGOTSA-N 340.463 4.086 0 1 EIAF Cc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611808 UHEHDVUABDWZPY-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587823998 SVPVXXCGLDKCGZ-OBKFTDBVSA-N 336.248 4.376 0 1 EIAF COc1cccc([C@H](C)Cc2nc3c(Br)ccnc3[nH]2)c1 587931767 NRGFFGNDXRERRL-SNVBAGLBSA-N 346.228 4.075 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnn3ccccc23)N1 962962657 YGWNJIWDRORAFX-SPLOXXLWSA-N 330.435 4.003 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CC(=O)N1CCCCCC1 963236212 SSACJIDRGSASQZ-PGRDOPGGSA-N 342.527 4.351 0 1 EIAF Cc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3c2)c1C 1857570597 BNKOHEBMKXAZER-UHFFFAOYSA-N 342.402 4.290 0 1 EIAF C[C@H]1C(=O)N(C)c2ccc(NC(C)(C)c3ccccc3)cc2N1C1CC1 1857746727 OPVVEVKCRPXCTP-HNNXBMFYSA-N 349.478 4.368 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@@]1(C)C=Cc1ccoc1 2356486064 CZISMHZGGMHTGB-SYOYXXOUSA-N 330.424 4.127 0 1 EIAF CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@]2(C)CCC[C@]3(C)C(=O)O[C@H]1[C@@H]32 2356503297 CHMFOVOONHFZLX-QEUPLWARSA-N 344.451 4.206 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CC[C@@H]1COC(=O)C1 2356602453 ADMUMPSVQUEYSC-UFHWLQSSSA-N 334.456 4.193 0 1 EIAF COc1cccc2ncnc(Nc3cccc(Br)c3)c12 3815411 HMMROPZSAUEXBD-UHFFFAOYSA-N 330.185 4.145 0 1 EIAF Cc1cccc2[nH]cc(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c12 13488808 ZBBKSSFBAYHGKM-LIRRHRJNSA-N 342.870 4.384 0 1 EIAF CCCCC[C@H](O)/C=C/C[C@@H]1CCc2c(cccc2OCC(=O)O)C1 26010555 HTOCRZZCAFEVBG-CBERKTNESA-N 346.467 4.142 0 1 EIAF CS(=O)(=O)c1ccc(-c2cnsc2-c2ccc(F)cc2)cc1 28007552 MRNRVSVVJPXSPO-UHFFFAOYSA-N 333.409 4.020 0 1 EIAF Cc1cc(C)c2c(c1)[C@@](c1ccc(O)cc1)(c1ccc(F)cc1)C(=O)N2 64549154 KZGRJRVCQRTTNN-QFIPXVFZSA-N 347.389 4.435 0 1 EIAF CCCCNC(=O)c1cnc(NCCCC)nc1-c1ccccc1F 82150190 PSAOITCOZQJDBT-UHFFFAOYSA-N 344.434 4.025 0 1 EIAF C=CCN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1 115232488 UVQGGDIWFBPVQF-UHFFFAOYSA-N 329.446 4.283 0 1 EIAF CCCN(CCC)C(=O)c1ccccc1-c1ccc2c(c1)OCO2 169349624 NGARGYQTAYVYEG-UHFFFAOYSA-N 325.408 4.345 0 1 EIAF Cc1cc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3C2)ccc1Br 169718587 IWPFPWFVJKESEG-NXEZZACHSA-N 332.197 4.100 0 1 EIAF O=C(O)c1cc(F)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587074124 STXPUVNUZDDCDX-UHFFFAOYSA-N 344.773 4.328 0 1 EIAF Cc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C 587113513 LXGDUXUQZIGUIB-AWEZNQCLSA-N 333.357 4.441 0 1 EIAF Cc1cc(-c2nc3ncccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145534 YLUSMHSZSWRBSX-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF COc1ccc(NC(C)(C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587200902 BMHYEXUHRBQOGK-UHFFFAOYSA-N 330.819 4.276 0 1 EIAF CC(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229592 IILRLTJGZTYOGU-UHFFFAOYSA-N 342.402 4.440 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(F)F)c1)O2 587384304 ZZLHDVXTCWXRGI-GOSISDBHSA-N 333.334 4.059 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587423874 VWGQOQXXLFPDSR-SUMWQHHRSA-N 334.293 4.203 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(OC)c1)CC2=O 587483083 UTMYAYMJHWFBOC-NRFANRHFSA-N 340.419 4.320 0 1 EIAF O=C1C[C@H](c2c(Cl)cnn2CCF)Oc2c1ccc1c2CCCC1 587501332 BDXWMFMHTWNBID-MRXNPFEDSA-N 348.805 4.091 0 1 EIAF O=C(O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587504262 IIDXLGSMYFNBOH-GOSISDBHSA-N 340.350 4.109 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3ccc(OC)nc3[nH]2)cc1 587565613 NDZZYQQIUYEFDH-UHFFFAOYSA-N 325.412 4.233 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCCCC1 587623953 USVZEXBKBCDVHJ-UHFFFAOYSA-N 347.260 4.101 0 1 EIAF N=c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c[nH]1 587783922 JHMHFBKWTZZIDQ-FLIBITNWSA-N 342.402 4.120 0 1 EIAF O=C(c1ccc(C(F)(F)F)nc1)n1nc2cc1Oc1ccc(F)cc1-2 587873839 KAXNBZWLUFUUMR-UHFFFAOYSA-N 349.243 3.897 0 1 EIAF Cc1noc([C@@H]2CCC[C@]23NCCc2cccc(-c4ccccc4)c23)n1 962660474 CNIFHAIQNCQBEE-UGKGYDQZSA-N 345.446 4.354 0 1 EIAF O=C(O)CCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 1857542739 FQMAPXPZUCVIPW-UHFFFAOYSA-N 347.223 4.390 0 1 EIAF COc1ccc([C@H]2CC[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857577438 TVVULHQQZQSLNZ-CABCVRRESA-N 344.407 4.088 0 1 EIAF O=C(CCSc1nc2cc(Cl)ccc2s1)N1CCCC1 1857579096 PDNKQHXVSXJKIK-UHFFFAOYSA-N 326.874 4.054 0 1 EIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CC=CCCCC(=O)O 2356455668 CTHZICXYLKQMKI-BZSNNMDCSA-N 336.472 4.280 0 1 EIAF COc1ccc(OC)c(NC(=O)Nc2c(O)ccc3ccccc23)c1 15952475 WOAIYLKLTSBUIT-UHFFFAOYSA-N 338.363 4.207 0 3 EIAF COC(=O)N[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]21C 36388073 BGGWAHQYWYNMLM-UJXPMJAYSA-N 349.515 4.379 0 3 EIAF Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)C=C3 6521486 UEBXUFSLLVGRQN-UHFFFAOYSA-N 341.407 4.277 0 1 EIAF CC[C@H](C)Oc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl 103291761 GFMXROCANGIJCW-VIFPVBQESA-N 341.766 4.434 0 1 EIAF [O-][n+]1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 114752319 VNDSGDBONNGTAJ-UHFFFAOYSA-N 349.434 4.205 0 1 EIAF CCCCNc1cc([C@@H](O)C[C@@H]2CCCCN2)c2ccccc2n1 169334901 UCRYWDNWWGAQFH-KXBFYZLASA-N 327.472 4.012 0 1 EIAF CC(C)c1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299876889 GKUBNAGRUAJEER-DZGCQCFKSA-N 326.444 4.013 0 1 EIAF COc1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895071 NLONXGSYCGDIDX-UHFFFAOYSA-N 330.387 4.398 0 1 EIAF Cc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1C 587085280 QHBKNXQXVMXYMI-UHFFFAOYSA-N 341.846 4.007 0 1 EIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc3c(c2[nH]1)CCCC3 587174797 MIBVETHFAYJGHY-QGZVFWFLSA-N 348.425 4.305 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(Cl)cc3C1)O2 587380052 OSXFCFSERDFWHR-LJQANCHMSA-N 327.811 4.124 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(F)c2CC[C@H]1C 587386197 IQLYHRKTVQLLDN-ODXCJYRJSA-N 325.383 4.159 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)nc(Cl)c1)CC2=O 587459749 FZPYXZAQVYKLEP-INIZCTEOSA-N 331.799 4.408 0 1 EIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601100 QXCQOSKJECBMSD-RXVVDRJESA-N 348.354 4.104 0 1 EIAF O=C(CSc1ccccc1O)n1nc2cc1Oc1ccc(F)cc1-2 587876592 UJQNESPTNRDQQY-UHFFFAOYSA-N 342.351 3.933 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(O)cc3[nH]2)cc1 587937230 OSUFZWWGXQONGB-FQEVSTJZSA-N 330.387 4.457 0 1 EIAF Clc1c[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2n1 587955018 FCTNOZXBBHTYHY-HNNXBMFYSA-N 334.810 4.333 0 1 EIAF CC1(C(=O)C[C@]2(C(F)F)NCCc3c(Cl)cc(Cl)cc32)CC1 963102767 FNBNVFISJJVQAU-INIZCTEOSA-N 348.220 4.359 0 1 EIAF CCCCC[C@@]1(O)C(=O)Nc2ccc(Nc3ccc(OC)cc3)cc21 1857543472 UNOAOYWGBCSETE-FQEVSTJZSA-N 340.423 4.159 0 1 EIAF CCC[C@@H]1Nc2ccccc2N1CC(=O)N1CCCc2ccccc21 1857760655 ZQTVSZMMLBCJCC-HXUWFJFHSA-N 335.451 4.024 0 1 EIAF CC(=CCCC(=CCCC(C)=CCCC(C)=CCO)C(=O)O)CO 2356538007 OBXCDFNUWPCTJI-UHFFFAOYSA-N 336.472 4.162 0 1 EIAF CC(C)c1[nH]nc2c1[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C2=O 199731724 KCXBMCHIMKBSIU-HXUWFJFHSA-N 349.409 4.418 0 3 EIAF Cc1cccc(C(=O)Nc2nc3ncccn3c2-c2ccc(F)cc2)c1 203465918 UZOIDCLJMGQFHW-UHFFFAOYSA-N 346.365 4.096 0 3 EIAF CN(C)C(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 26576 ZXOSIYOENCSTPW-UHFFFAOYSA-N 332.812 4.444 0 1 EIAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(CCC(C)C)CC2 7991979 BVSVQIFXGNUTCZ-MRXNPFEDSA-N 330.516 4.290 0 1 EIAF CCOC(=O)c1c(C)oc2nc(C)nc(Nc3cc(C)cc(C)c3)c12 8597051 XEMGCGWNSQXDCF-UHFFFAOYSA-N 339.395 4.377 0 1 EIAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@@H](c2ccccc2)O1 11687526 RFTRIPDMNMTLEZ-VQTJNVASSA-N 337.423 4.024 0 1 EIAF CN(C)C[C@@H]1C[C@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 13437253 YDCWINJIBUMKOY-LIRRHRJNSA-N 328.843 4.057 0 1 EIAF COc1ccc([C@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c(O)c1 14613168 DRIPWQOGMJYOPU-OAHLLOKOSA-N 338.403 4.304 0 1 EIAF endogenous,in-man O=C(c1cc2ccc3cccnc3c2[nH]1)N1CC[C@H](c2ccccc2)C1 20575508 YZVJHHWBICCHLE-SFHVURJKSA-N 341.414 4.346 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]21CCC(=O)O1 26482011 BEUOVAGPYSYPLV-IZZBFERCSA-N 326.436 4.268 0 1 EIAF CCOC(=O)Cc1ccc(NCCCc2ccc(Cl)cc2)cc1 29207742 CQUIYVBUNCQKAX-UHFFFAOYSA-N 331.843 4.490 0 1 EIAF Cc1cccc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 40877931 XJJHWWYCLDUXFZ-JCFBCRGFSA-N 342.508 4.402 0 1 EIAF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCO)c3[C@@H](C1)C2 45320370 DYEVLJICQPJCQW-OLZOCXBDSA-N 328.843 4.288 0 1 EIAF Cn1c([C@H]2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21 49070828 QOHYKYMEPUDPBV-HXUWFJFHSA-N 343.386 4.148 0 1 EIAF COc1cc(-c2nc(C)nc3[nH]cc(F)c23)c(Cl)cc1Cl 71334264 HZSHCNIPKGQMCM-UHFFFAOYSA-N 326.158 4.388 0 1 EIAF CC[C@@H](C)NC(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 84690174 GMLIIFZYKRJJHB-GFCCVEGCSA-N 339.826 4.479 0 1 EIAF CN1C(=O)CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc21 95553738 MTQBOVPCWAKWKD-UHFFFAOYSA-N 344.414 4.237 0 1 EIAF COc1cccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=N)N2)c1 103262094 MKYRDBZZEGJZRI-QKNQBKEWSA-N 349.478 4.130 0 1 EIAF Fc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1F 118807051 ZVIPRWIPOXLWAD-UHFFFAOYSA-N 342.374 4.145 0 1 EIAF O=C(O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052735 KMRUQIHZCSJJDQ-UHFFFAOYSA-N 337.766 4.372 0 1 EIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(=O)O)cc2[nH]1 587066483 OKRMMOLAMMLSLR-UHFFFAOYSA-N 344.798 4.235 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2[nH]1 587120558 OXWNGXBYBLXENN-UHFFFAOYSA-N 342.284 4.001 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cc(Cl)ccc31)O2 587379850 LJNYMGVMBIUHFA-LJQANCHMSA-N 327.811 4.428 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@H](C)CC)CC2=O 587480853 WPAVFYCOXTWWCO-KZULUSFZSA-N 328.412 4.219 0 1 EIAF CCn1cc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587514071 FHAIEPQHWJJCAF-OAQYLSRUSA-N 338.451 4.361 0 1 EIAF CC(=O)Nc1cccc(C(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c1 587630693 AGSBVUMMAACUAM-UHFFFAOYSA-N 344.773 4.458 0 1 EIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(Cl)cc1 587649598 QSUHQGVEKHTBBT-UHFFFAOYSA-N 333.840 4.124 0 1 EIAF Cc1nc(N[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c2nn3ccccc3c2n1 653741178 KWDFKJNACDSBID-FAAHXZRKSA-N 335.455 4.069 0 1 EIAF CC[C@]1(c2ccc(O)c(OC)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963097586 FXLKVIIRICAZED-UWJYYQICSA-N 341.426 4.214 0 1 EIAF COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1ccccc1OCCF 1772590684 RWVUVCPDTBPDCJ-DOTOQJQBSA-N 347.405 4.076 0 1 EIAF COc1ccc(CN[C@@H](O)c2ccccc2-c2ccccc2)c(OC)c1 1772600484 NXSULRYQRSYZQH-QFIPXVFZSA-N 349.430 4.152 0 1 EIAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@@H]2OCC(C)=C2C[C@H]1O 2356378413 JLJVVACYDKDARP-UXHICEINSA-N 346.467 4.019 0 1 EIAF CC(C)[C@]1(O)CC[C@]2(C)CC=CC[C@@H](OC(=O)c3ccc(O)cc3)[C@H]21 2356530262 KQQUKTXLBQRNKT-RMVXJAJNSA-N 344.451 4.071 0 1 EIAF CC1=C[C@@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C 518317 KPUIORAMYKZOGW-MHUJFGSKSA-N 329.440 4.489 0 1 EIAF COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 13475012 LBZSRDGYAIZTDL-RTBURBONSA-N 343.854 4.119 0 1 EIAF CC(C)C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 13490942 FETXAWXOSWHGHF-UHFFFAOYSA-N 339.486 4.315 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 13651802 ZDXVLUHOOVYRHN-IIYMBUSYSA-N 342.479 4.410 0 1 EIAF COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)ccc1OC(C)=O 28863515 STLKHQXQKDEWHV-UHFFFAOYSA-N 347.798 4.143 0 1 EIAF CCCCCCC1=C(Br)/C(=C/Br)OC1=O 35330016 FLVMUOPUHKLSSG-CLFYSBASSA-N 338.039 4.399 0 1 EIAF O=C(Nc1cc(F)cc(Oc2cccnc2)c1)c1ccc(F)cc1 72109378 OVQKKVHPAKQSNA-UHFFFAOYSA-N 326.302 4.404 0 1 EIAF C=Cc1cccc(-c2[nH]c3cc(OC)ccc3c(=O)c2C(=O)OCC)c1 95557672 HBULBQQNTILPQP-UHFFFAOYSA-N 349.386 4.023 0 1 EIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1ccc(C2CCCC2)cc1 96248455 AONWVFVOUGKEOC-LEWJYISDSA-N 340.511 4.350 0 1 EIAF O=C(Nc1nnc(Sc2ccc(F)cc2)s1)c1ccccc1 103272509 SNUBLPFTOVEOIU-UHFFFAOYSA-N 331.397 4.081 0 1 EIAF CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169365667 DXPXPTSTQIBWMJ-IZOULEEASA-N 336.472 4.270 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@H](C)[C@]21C 257454367 JIUYRYQJXGQPHK-GMRXBTGGSA-N 332.440 4.396 0 1 EIAF biogenic Clc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 587004908 CQGPMYOBSCZDFZ-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF FC(F)(F)c1cc2nc(CCc3ccccc3Cl)[nH]c2cn1 587057543 BJJJHDQROLYZGM-UHFFFAOYSA-N 325.721 4.415 0 1 EIAF COc1cc(Cl)ccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587066557 MZTZYUSKNLVILY-UHFFFAOYSA-N 330.668 4.448 0 1 EIAF COc1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 587112301 FTRVRLXAFNYDCM-JTQLQIEISA-N 335.329 4.332 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587161220 LMKDSVAOBCYOCT-UONOGXRCSA-N 336.345 4.298 0 1 EIAF CC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357947 XGTVUILZYVRQTR-QUCCMNQESA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(F)(F)F)c1F)O2 587381764 LJBCSUCVTPEQQC-CQSZACIVSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccnc1)O2 587386560 ZTPPOFSZPWXZOV-OAQYLSRUSA-N 348.377 4.020 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)s1)CC2=O 587495157 PGLCCGOJBOQKFI-OAHLLOKOSA-N 331.437 4.179 0 1 EIAF O=C1C[C@H](c2ccc(O)c(F)c2F)Oc2c1ccc1c2CCCC1 587501156 AOIDDOVBRSKLNQ-MRXNPFEDSA-N 330.330 4.256 0 1 EIAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522723 HKAZNRSHHJOWGD-LJQANCHMSA-N 336.387 4.059 0 1 EIAF O=C(O)c1cc(F)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587966015 GLHOZKMYMGVJRZ-UHFFFAOYSA-N 326.371 4.240 0 1 EIAF CC/C(=C/c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 587968591 UXUYWMJEZQETNP-RAXLEYEMSA-N 342.420 4.069 0 1 EIAF Fc1cccc2oc(-c3cn4nc(Br)sc4n3)cc12 653679378 NMNKBXCDVCWFTD-UHFFFAOYSA-N 338.161 4.106 0 1 EIAF Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)O2 653865383 ZHOSBMNCIFOAEH-KCZVDYSFSA-N 342.398 4.191 0 1 EIAF Oc1ccc2c(c1)[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)NCC2 963340801 IIRLCLJHUDGIIL-OAHLLOKOSA-N 327.733 4.300 0 1 EIAF COc1cc(-c2ccnc3c2c(C)nn3-c2ccccc2)ccc1O 1857576433 MGDURGZRRSGYRC-UHFFFAOYSA-N 331.375 4.110 0 1 EIAF CCN(Cc1cccnc1)C(=O)Cn1c2ccccc2c2ccccc21 1857616278 NTRDQWAVLNQVTK-UHFFFAOYSA-N 343.430 4.238 0 1 EIAF CC[C@@H]1C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 2356662626 ZTUMQWDWVONOLL-CYBMUJFWSA-N 336.343 4.055 0 1 EIAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2ccsc2)C1 11948490 ZJKWMXUQBXATIL-ZDUSSCGKSA-N 347.867 4.445 0 3 EIAF CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1OC 36380879 GOMKUWMLEKDDFQ-MRXNPFEDSA-N 344.798 4.105 0 3 EIAF COc1ccc(C(=O)c2sc(N(C)C)nc2-c2ccccc2)cc1 1658557 KCCMDZFYGNNSQK-UHFFFAOYSA-N 338.432 4.116 0 1 EIAF O=C(O)Cc1nc(-c2cccc(C(F)(F)F)c2)oc1-c1ccco1 28225490 IGBJMROAILEZMA-UHFFFAOYSA-N 337.253 4.248 0 1 EIAF O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21 28645428 KFKHBBOHNLPMPG-UHFFFAOYSA-N 339.398 4.183 0 1 EIAF COc1ccc([C@H](C)CNC(=O)Nc2cccc3cnccc23)cc1 28958745 XFTNEUARLLIGMJ-CQSZACIVSA-N 335.407 4.169 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(Cl)ccc21 28964615 SBVPKBZNKRFVGA-HNNXBMFYSA-N 326.787 4.025 0 1 EIAF CCOc1cccc(OCC)c1-c1ccc([C@@H](C)C(=O)O)cc1F 29041588 TZOMOHQHOGZCPT-GFCCVEGCSA-N 332.371 4.478 0 1 EIAF C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)C(F)(F)F 29554408 QDKAVLCMWMWTJI-XSLAGTTESA-N 338.369 4.262 0 1 EIAF CCCC[C@@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 39220269 KWSJYOSXSHNMHH-MRVPVSSYSA-N 331.195 4.002 0 1 EIAF CN(C)CCCN1CC=C2C(=C(c3ccccc3)c3ccccc32)C1 39223510 IUCMBTQHNPCJQC-UHFFFAOYSA-N 330.475 4.153 0 1 EIAF COc1ccc2c(c1)[C@@H](CCCNC(C)=O)C[C@H](c1ccccc1)C2 40917757 FWVARDNKSPQOSJ-ICSRJNTNSA-N 337.463 4.425 0 1 EIAF c1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 43024748 FGIXPVLGYCJVCU-UHFFFAOYSA-N 332.388 4.190 0 1 EIAF COc1c(-c2ccc(C(F)(F)F)cc2)oc2ccc(N)cc2c1=O 58569340 CFBFHJCNFGWTTK-UHFFFAOYSA-N 335.281 4.070 0 1 EIAF Cc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cn[nH]c12 72318460 XGYKDWXVWCPZML-UHFFFAOYSA-N 337.333 4.350 0 1 EIAF CNC(=O)[C@@H](OC)c1cccc(CSc2cc(C)ccc2C)c1 103184588 KHIITQNONTVXRV-SFHVURJKSA-N 329.465 4.029 0 1 EIAF Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)ccc1Br 169718588 IWPFPWFVJKESEG-AOOOYVTPSA-N 332.197 4.100 0 1 EIAF Cc1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905637 XFIXESLOOXXUAX-VIFPVBQESA-N 338.741 4.433 0 1 EIAF FC(F)(F)c1cccnc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587108642 NPDHCVFLJCDUCN-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF CCCc1nc(-c2nc3c(C)cccc3[nH]2)nn1-c1ccccc1F 587155025 ABYVHGQRNQEJKH-UHFFFAOYSA-N 335.386 4.211 0 1 EIAF Nc1ccnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587164720 VQAZXCILMVKZDZ-RAXLEYEMSA-N 336.395 4.330 0 1 EIAF Clc1c[nH]c2nc(CN(Cc3ccccc3)c3ccccc3)nc-2n1 587192878 HVKREPSLOBPBGQ-UHFFFAOYSA-N 349.825 4.165 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccc(Cl)cc3n1)O2 587378575 CSAJBDBYPMVDTM-SFHVURJKSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccco1)O2 587386442 YSRUMYBLGNEMCC-HXUWFJFHSA-N 337.350 4.218 0 1 EIAF CCCCC[C@@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587391081 PBWVGDBZMRWFGI-FQEVSTJZSA-N 341.455 4.060 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(C)c1Cl)[C@@H](C2)C3=O 587424309 YTOILDUNLNXJEN-LIRRHRJNSA-N 328.795 4.454 0 1 EIAF CCN(CC)CC(C)(C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509103 XMJAAZZBPCBHLI-IBGZPJMESA-N 329.484 4.267 0 1 EIAF CCC[C@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587521681 DXOOZHXMMMUHSN-HXUWFJFHSA-N 330.424 4.023 0 1 EIAF Cc1cc(C)nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585454 DHWAAHNYMBOXCY-WIYYLYMNSA-N 347.370 4.107 0 1 EIAF Cc1c(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cnn1C 587629278 IAEFOALYPGCDRU-UHFFFAOYSA-N 341.720 4.171 0 1 EIAF CCO[C@H](C)n1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660243 HSDXDMFCZDHKIF-OPAMFIHVSA-N 347.462 4.340 0 1 EIAF Oc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1F 962709132 NHUZUQDXUUYWJB-BFUOFWGJSA-N 347.430 4.123 0 1 EIAF CC[C@H](C)[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177462 JXYASPARRZHBCB-JVQVWZCXSA-N 335.753 4.045 0 1 EIAF CCCCCOc1ccc([C@]2(C)NCCc3ccc(O)cc32)cc1 963342754 SUHVZTAFHQBDDM-NRFANRHFSA-N 325.452 4.370 0 1 EIAF COc1ccc2c(c1)-c1c3c-2nccc3cc[n+]1Cc1ccccc1 1772593531 PQQOUJYBUZGPGM-UHFFFAOYSA-N 325.391 4.227 0 1 EIAF C[C@@H]1CCC[C@H](C=C[C@@H]2[C@@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@H](C)[C@@H]32)N1 2356425127 GEQKTSPOTKEYOG-RZZDIOASSA-N 331.500 4.077 0 1 EIAF O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 432034 LZXBOMDVVBFYHG-UHFFFAOYSA-N 327.387 4.337 0 1 EIAF O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)C1CCCCC1 21711033 IBZZNRBYMSAMJW-UHFFFAOYSA-N 341.430 4.493 0 1 EIAF COC(C)(C)[C@H](O)CC[C@@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29254863 AZTBGOWEAIBOCC-VJJJFEDKSA-N 326.477 4.033 0 1 EIAF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(N)=O)c1ccc(O)cc1 29328323 KKKHOXIQPATXCD-CTNGQTDRSA-N 341.451 4.205 0 1 EIAF CC(C)NC(=N)c1ccc2nc(Nc3ccc(Cl)cn3)sc2c1 40915384 BGSQQEKSDHRYRL-UHFFFAOYSA-N 345.859 4.412 0 1 EIAF CC1(C)CC(=O)C(C)(C)c2nnc(-c3cccc(C(F)(F)F)c3)nc21 95553110 DZQLNJTWZXRPAS-UHFFFAOYSA-N 349.356 4.085 0 1 EIAF CCN(CC)CCS[C@@H](C(=O)OCC=C(C)C)c1ccccc1 96908935 AFRNYKHUZYGINS-GOSISDBHSA-N 335.513 4.312 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@@H]3C[C@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@@H]24 195355184 NVLJYIBBEXBONT-BBAHHVSFSA-N 340.555 4.005 0 1 EIAF CC(C)c1cc(-c2nc3cccc(C(N)=O)c3[nH]2)c(O)c(C(C)C)c1 586896499 MWZJSPNYHSLQIL-UHFFFAOYSA-N 337.423 4.281 0 1 EIAF O[C@H]1C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 586905113 YREOWPWEFLJWMA-MFKMUULPSA-N 347.187 4.034 0 1 EIAF FC(F)(F)c1ncc2nc(-c3ncsc3-c3ccccc3)nc-2[nH]1 587027362 CLGCKGUZKNTRPR-UHFFFAOYSA-N 347.325 4.114 0 1 EIAF Nc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc2ccccc12 587253769 PENKWLNUSMXWAF-UHFFFAOYSA-N 343.365 4.290 0 1 EIAF O=C1C[C@@H](c2cccn2-c2cccnc2)Oc2c1ccc1c2CCCC1 587510664 BYFYWDQZCSGIJM-NRFANRHFSA-N 344.414 4.458 0 1 EIAF CC[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587514065 FFUOWNBWMACYEF-NRFANRHFSA-N 338.451 4.186 0 1 EIAF C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604547 WTYBTJISIPANAM-DENIHFKCSA-N 346.382 4.355 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(Cl)cc1Cl 587651571 WGTZNJOFOKSWMC-UHFFFAOYSA-N 325.582 4.346 0 1 EIAF CCCCOc1ccc(OCCCC)n1-c1cc(O)cc(C(=O)O)c1 587924912 BVBLCVGOPKBZMG-UHFFFAOYSA-N 347.411 4.239 0 1 EIAF Fc1cnc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 587951741 ZHNAKRCSWMOTEP-UHFFFAOYSA-N 335.810 4.236 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587955183 HATWGNVSHIRVGV-UHFFFAOYSA-N 338.407 4.185 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2ncc3ccccn23)cc1 962670264 QNHBXVWSPBKEPL-OAQYLSRUSA-N 325.415 4.236 0 1 EIAF c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 1857562364 IQXCFSVBYLKYNY-UHFFFAOYSA-N 347.458 4.461 0 1 EIAF O=[S@@](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 1857569206 WGAYLKKCGZOQDP-QHCPKHFHSA-N 349.427 4.460 0 1 EIAF CC(=O)Nc1cccc(-c2cc(C(=O)O)cc(-c3ccncc3)c2)c1 1857747928 ZQUUXFQTTZEMKJ-UHFFFAOYSA-N 332.359 4.072 0 1 EIAF CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 13579342 KZQZXGOXGSLNTB-UHFFFAOYSA-N 340.511 4.255 0 1 EIAF O=C(O)c1cc(C(=O)O)c2cc(-c3cccc4ccccc34)ccc2n1 26382634 GWTQHXZEYNHUFE-UHFFFAOYSA-N 343.338 4.451 0 1 EIAF O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2Cl)c1CCO 40846145 DUJKCRPTAPXLNW-UHFFFAOYSA-N 334.202 4.037 0 1 EIAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Oc1cccnc1 90427271 DSEZZMOPZLHDDU-IBGZPJMESA-N 343.423 4.275 0 1 EIAF CCn1c(C(=O)NCC(C)(C)C)nc2c(-c3ccccc3)cccc21 103268377 XWPZSGIMVXVXID-UHFFFAOYSA-N 335.451 4.499 0 1 EIAF Cc1c(OCC(=O)O)cc2c(c1Cl)C(=O)[C@](C)(C1CCCC1)C2 138568118 RGDTZOFUAADBNT-SFHVURJKSA-N 336.815 4.047 0 1 EIAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 144714302 URPJDFZBMBPNIR-GOSISDBHSA-N 332.321 4.448 0 1 EIAF CCC(=O)N[C@H]1CCCc2c(-c3cc(F)c(F)cc3F)cncc21 205717022 XBIIVZQGMZWYPK-KRWDZBQOSA-N 334.341 4.070 0 1 EIAF O=C1[C@H](c2cccc(Cl)c2)CCN1c1ccc(-c2cn[nH]c2)cc1 584629259 BWYMYRRNENAMMQ-SFHVURJKSA-N 337.810 4.251 0 1 EIAF Cc1cnc(Cl)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 587082894 YIJMWGYYTZGVQT-UHFFFAOYSA-N 349.221 4.174 0 1 EIAF COc1cncc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114871 XYQCCXNDRKHEKA-SNVBAGLBSA-N 335.329 4.332 0 1 EIAF CC(=O)NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCC(C)CC1 587234336 JRVROIBKCRYYQF-UHFFFAOYSA-N 340.254 4.411 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1)O2 587374622 ZKOIDVLQZYICLQ-KRWDZBQOSA-N 346.224 4.220 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(C)C)O2 587402421 XRHVPZLCONJJOA-IBGZPJMESA-N 325.408 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)nn1C)CC2=O 587474961 ITAJMJIJBOMBQJ-QGZVFWFLSA-N 342.439 4.082 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)c3ccccc31)CC2=O 587475978 RTUXFVVARANTBK-OAQYLSRUSA-N 337.419 4.045 0 1 EIAF COC(=O)CC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587523555 KFUZAACEFADWJF-UHFFFAOYSA-N 342.435 4.023 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(OC(F)F)cc1 587637481 KBULTWIKLJBDGP-UHFFFAOYSA-N 331.318 4.367 0 1 EIAF Cc1cnccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775958 VGMHYDOGOASJHQ-APPDUMDISA-N 349.247 4.089 0 1 EIAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587777628 BJSHVGSSMCOMTH-UHFFFAOYSA-N 335.329 4.356 0 1 EIAF COCC[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790271 FGSXCGOGNGHRCT-BDJLRTHQSA-N 344.268 4.010 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1ccc(OCc3ccccn3)cc1)NCC2 962378633 UBTULQCJTLVKEN-JOCHJYFZSA-N 348.421 4.343 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 962961479 XGGVCFVXPYFWPA-KAJMWERUSA-N 336.479 4.457 0 1 EIAF Nc1c2c(cc3c1CC[C@]31c3c(F)cccc3C[C@H]3CCCN31)CCC2 963100582 BQXUGXBSHNANJS-WAIKUNEKSA-N 348.465 4.107 0 1 EIAF CC(C)CCNC(=O)C=CC=CCCCc1ccc2c(c1)OCO2 2356680087 SWENTULCGZSDKG-UHFFFAOYSA-N 329.440 4.013 0 1 EIAF CC(C)=CCN1Cc2cc(Cl)cc3nc(O)n(c23)C[C@@H]1C(C)C 6486995 IMETZKGCECECRW-MRXNPFEDSA-N 333.863 4.202 0 1 EIAF COCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21 6716343 RHQLNMNKTIOREN-AOIWGVFYSA-N 326.392 4.262 0 1 EIAF in-vivo Oc1ccc2cc([C@@H](c3ccc(Cl)cc3)n3cncn3)oc2c1 13680647 GYGANQZOGPUYJF-QGZVFWFLSA-N 325.755 4.021 0 1 EIAF c1ccc(CCCSc2nsnc2[C@@H]2CN3CCC[C@H]2C3)cc1 26733034 FRQOAGFZQPVQIN-JKSUJKDBSA-N 345.537 4.072 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 34801436 ZAZGULUMJMBMJD-JEOUVKQFSA-N 331.500 4.009 0 1 EIAF c1coc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 66148234 OHNZJKJYATYGCV-UHFFFAOYSA-N 345.358 4.231 0 1 EIAF Cc1c(C(=O)c2cccc3ccccc23)c(C)n(C)c1CCC(=O)O 73222809 BZAKZZBYCZHQOV-UHFFFAOYSA-N 335.403 4.043 0 1 EIAF CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Cl 84904187 YCGUXMLDHNFWJZ-UHFFFAOYSA-N 328.593 4.316 0 1 EIAF O=C(Nc1nc(-c2ccccc2)cs1)c1n[nH]cc1-c1ccccc1 95563166 IDFYSEOLWGUWHB-UHFFFAOYSA-N 346.415 4.453 0 1 EIAF CN(CCc1ccccc1)C(=O)c1csc2c1CCC[C@@H]2N=O 169728456 POWVHOAMNCIOMI-INIZCTEOSA-N 328.437 4.207 0 1 EIAF CCc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119840 IELKIUKVFZTLOL-UHFFFAOYSA-N 348.372 4.268 0 1 EIAF NC(=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587145134 ISHOJLLIEPMZJB-UHFFFAOYSA-N 349.340 4.274 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C=O)c1)(C1CCC1)O2 587405450 LGLHNJNQRPSSJB-OAQYLSRUSA-N 335.403 4.051 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccsc3)n1)O2 587413113 MGSCLNJTAYIUSO-OAHLLOKOSA-N 342.445 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(O)cc13)CC2=O 587484452 PDNVHOYHASILEG-LJQANCHMSA-N 337.375 4.238 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C[C@H](C)O3)CC2=O 587494110 XBHKUNJLTKQLOD-FKIZINRSSA-N 338.403 4.375 0 1 EIAF CCOC(=O)C[C@]1([C@@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 587523552 KBDAJWBJPWXXGT-QKKBWIMNSA-N 344.451 4.269 0 1 EIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 587530368 TWHMCQQCVVGIMM-DEQXWPBXSA-N 332.443 4.047 0 1 EIAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775078 YSWAGONNJKTPHH-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CC/C(=C/c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 587968950 XBLPIHQUQRTLQW-JYRVWZFOSA-N 333.391 4.153 0 1 EIAF COc1ccc2sc(C(=O)N(C)Cc3ccc(F)cc3)cc2c1 1772589430 NNQFMXHVOUDTTE-UHFFFAOYSA-N 329.396 4.321 0 1 EIAF CO[C@]12CC(C)=CCC[C@@]3(C)[C@H](CC1=C(C)C(=O)O2)[C@@]1(C)CC[C@H]3O1 2356555508 XSSYRWDNKNIHHM-NXIXHYNASA-N 346.467 4.297 0 1 EIAF COC(=O)C(C)=CCC[C@]1(C)[C@H]2C[C@@]3(CC=C2C)[C@H](C(=O)O)CC[C@H]13 2356588265 NJJHWXTWQAGIRM-YVXJGENVSA-N 346.467 4.359 0 1 EIAF Cc1nc(CCCCCOC(=O)C2CCCC2)n2nc(Cl)ccc12 5891791 YLDQBQUCINBNBG-UHFFFAOYSA-N 349.862 4.137 0 1 EIAF O=C1C[C@@H](CN2CCC(Oc3ccccc3)CC2)CCc2ccccc21 13488320 YNBYFGHFHOUMSE-SFHVURJKSA-N 349.474 4.365 0 1 EIAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1C(=O)O 13531807 DIGJNBCWYZJIKI-UHFFFAOYSA-N 342.248 4.187 0 1 EIAF COc1ccc([C@H](O)CC2CCN(Cc3ccccc3)CC2)cc1 13729969 VQGUXXCQJVXIGH-OAQYLSRUSA-N 325.452 4.031 0 1 EIAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)Cc1cccc2ccccc12 13734038 YFADCRNSRNZXOF-ROUUACIJSA-N 338.495 4.152 0 1 EIAF Cn1ncc2c(NC(=O)NCc3ccc(Cl)c(Cl)c3)cccc21 14973870 SGLLXSSYLJXWFO-UHFFFAOYSA-N 349.221 4.202 0 1 EIAF CC1(C)C=Cc2c(O)ccc(-c3cc4ccc(O)cc4oc3=O)c2O1 15257358 QOWFWSZIEKUOSQ-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF biogenic,in-vitro Cc1c(NCc2ccc(Cl)c(Cl)c2)ccc2nc(N)nc(N)c12 28010261 OJUWZAXSBRQFOW-UHFFFAOYSA-N 348.237 4.022 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801315 WGPZAVZHAGYUOL-BCUYJECFSA-N 331.500 4.055 0 1 EIAF Cc1ccc(-c2ccc3ncc(-c4ccc([S@](C)=O)cc4)n3c2)o1 45300045 UZRYFKGRTKHBGX-XMMPIXPASA-N 336.416 4.307 0 1 EIAF O=C1CCc2cc(-c3cncc(-c4cccc(F)c4)c3)cc3c2N1CC3 71316212 UKUOETGDKYUHAS-UHFFFAOYSA-N 344.389 4.390 0 1 EIAF COc1ccc(Nc2ncnc3c2oc2cc(OC)ccc23)c(F)c1 95593522 XQJGRHVYCQXAGB-UHFFFAOYSA-N 339.326 4.276 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 100620687 KKVWUXHOSMQRCN-CTNGQTDRSA-N 330.431 4.280 0 1 EIAF CCc1oc2ccccc2c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586903044 GIKMSJIFEUPLHD-UHFFFAOYSA-N 332.285 4.299 0 1 EIAF Cc1c(Cl)ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587043865 OKWDAERWYSIVIJ-UHFFFAOYSA-N 329.812 4.236 0 1 EIAF Fc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587075150 DDLJXQIVUFPIGW-HNNXBMFYSA-N 333.725 4.112 0 1 EIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(Cl)c2[nH]1 587111720 APOLGBJTWJSREE-LBPRGKRZSA-N 339.748 4.478 0 1 EIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Cl)cnc2[nH]1 587116177 RJUBKWRVNFXFEM-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF COc1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120499 LTXJMYNLNWGVGG-UHFFFAOYSA-N 332.285 4.134 0 1 EIAF CCOc1cc(/C=C\c2nc3cnccc3[nH]2)ccc1OC(F)F 587130982 SEHPAUUOFMUAEN-XQRVVYSFSA-N 331.322 4.128 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(OC)c(OC)cc2[nH]1 587154287 BSJRHUNDRWSZAO-CQSZACIVSA-N 330.359 4.249 0 1 EIAF O=C(O)CCc1c(-c2ccc(Cl)cn2)nc2cccc3c2c1CC3 587208822 BHFVTHDPVVIACR-UHFFFAOYSA-N 338.794 4.066 0 1 EIAF Nc1cccc(O)c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587250894 VFDIKQHPYIZVAK-UHFFFAOYSA-N 331.375 4.097 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@@H]3CCCCO3)o1)O2 587407222 BCWMJLDFZWYJMX-MAUKXSAKSA-N 327.380 4.118 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O 587441097 RGGDLTPHKFAQTL-LAUBAEHRSA-N 338.403 4.145 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ncc1Cl)CC2=O 587473302 ZQBULWNCZCWIEP-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611751 TXTKTGSAAKCWMV-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(F)cc1 587624902 WNERXWSOTMAFKM-UHFFFAOYSA-N 345.757 4.286 0 1 EIAF Cc1cc(C)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1 587653338 FUUQVYLZRIVJEU-UHFFFAOYSA-N 341.823 4.266 0 1 EIAF COc1ccc(C=O)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587787948 TXKPUCGIWZOBGY-UHFFFAOYSA-N 338.260 4.209 0 1 EIAF CSC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587841548 BPCWTKMQOHSBRU-XPTSAGLGSA-N 344.293 4.449 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(OC)c2[nH]1 587928138 WUOZUBMOLHBGPL-ZDUSSCGKSA-N 326.396 4.131 0 1 EIAF O=C(Nc1ncc(SCc2ccccc2)s1)c1ccccn1 653819863 RYKKCIWJESQJIE-UHFFFAOYSA-N 327.434 4.083 0 1 EIAF CCN1C[C@@H](C)N(C(=O)NCc2ccccc2)[C@@H](C)c2ccccc21 1772621093 OYWXPJINVNKUFR-SJORKVTESA-N 337.467 4.188 0 1 EIAF CCCC[C@@H](CN[C@H](C)CNC)NCC1CCC(C(C)(C)C)CC1 22938883 FGRRDEWJSJFTCW-OAHAVBBTSA-N 339.612 4.185 0 3 EIAF COc1cc(F)ccc1-c1csc([C@](C)(O)c2ccccc2)n1 61905055 JBGDKYWFTPLOBT-GOSISDBHSA-N 329.396 4.214 0 3 EIAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cccc(F)c2)cs1 61928677 ZYLKWGSOUWMKBK-KRWDZBQOSA-N 326.396 4.175 0 3 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@H]3CC[C@]12C 254103698 WVBCLXPZFRTXNR-SLYHVHIMSA-N 334.431 4.152 0 3 EIAF CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)C1CCCC1 7001572 RHPMBMCTXGNOTM-UHFFFAOYSA-N 328.412 4.090 0 1 EIAF COC(=O)C[C@](C)(O)CCc1cc2c(c(C)c1C)CCCC2(C)C 13387759 PQYDJGGHLJPBDM-OAQYLSRUSA-N 332.484 4.164 0 1 EIAF biogenic C/C=C(/C)C(=O)O[C@H]1c2occ(C)c2[C@@H]2OC(=O)[C@H]3CCC[C@H]1[C@@]32C 14452920 DEFMCBVSKBZNPH-NGNSUVOISA-N 344.407 4.173 0 1 EIAF CCS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1 29396154 OOIAJZODZXSESF-UHFFFAOYSA-N 329.396 4.077 0 1 EIAF O=C1CCN([C@@H]2CCCC[C@H]2OCc2c(Cl)cccc2Cl)C1 38422040 WGXAQCYMUFQJSA-IAGOWNOFSA-N 342.266 4.096 0 1 EIAF O=C(CCc1cnnn1[C@H]1CCCc2ccccc21)c1ccccc1 49113237 KBQBSJYSLFWSEW-FQEVSTJZSA-N 331.419 4.019 0 1 EIAF O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1cc[nH]n1 64559414 RAIUWRMGPSZDJL-UHFFFAOYSA-N 333.416 4.473 0 1 EIAF COc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2C(=O)O)cc1 66124454 CMAMTXWAMDNQKU-UHFFFAOYSA-N 347.370 4.313 0 1 EIAF COc1ccc2c(c1)[C@H]1CN(C)[C@H]2Cc2ccc(Br)cc21 100740055 MADYOGGTQRFFQO-ROUUACIJSA-N 344.252 4.132 0 1 EIAF NC1(c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)CCC1 113657833 LMBQMEOEJDKMKM-UHFFFAOYSA-N 340.430 4.401 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1C(=O)N[C@@H]1CCCC[C@@H]1C 114426722 TXKPZTXKDZJITP-JOYOIKCWSA-N 346.254 4.319 0 1 EIAF CCOc1ccc2[nH]c(C(=O)OC)cc2c1OCC1CCCCC1 169349116 ZPHYZYQHVOEIKY-UHFFFAOYSA-N 331.412 4.312 0 1 EIAF COC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 223585284 BREPPEDWVZWXBC-HUUCEWRRSA-N 344.451 4.454 0 1 EIAF NCc1cccc(-c2cccc(NCc3ccccc3CC(=O)O)c2)c1 584593879 GZAGMDUFYUWXGQ-UHFFFAOYSA-N 346.430 4.052 0 1 EIAF Fc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007816 SCJYCDIIFZJCDA-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF Clc1cc(Cl)cc(-c2nc(-c3nc4cncnc4[nH]3)cs2)c1 587015930 YXYWVNDVAWBVOJ-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF Cn1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C(F)(F)F)c1 587111268 CCTXSLFAQWHJQH-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF N[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1F 587151877 WGPLNQYSEYJVEF-ZDUSSCGKSA-N 345.246 4.047 0 1 EIAF Fc1cc(Br)cnc1-c1nc2cnc3ccccc3c2[nH]1 587157928 PRLASHURCZKPAL-UHFFFAOYSA-N 343.159 4.075 0 1 EIAF Cc1nccc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 587158213 HRVWWJJEMJUQPP-UHFFFAOYSA-N 343.365 4.411 0 1 EIAF Cc1ccc(NC2(c3nc4ccc(C(=O)O)cc4[nH]3)CCCC2)cc1 587237573 UOCVFMCKAHTSJF-UHFFFAOYSA-N 335.407 4.451 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(C)c1-n1cccn1)O2 587390783 JBYOVLMXVPEGIY-IBGZPJMESA-N 347.418 4.086 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@]2(C)CC[C@H]1C2(C)C 587477561 DBLWOEYVXFJPPA-DQLDELGASA-N 342.435 4.074 0 1 EIAF COC(=O)[C@@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587522120 FADKIXBZGCDALJ-VFNWGFHPSA-N 342.435 4.023 0 1 EIAF Cc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611812 UHEHDVUABDWZPY-RXVVDRJESA-N 348.354 4.109 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCCCC1 587623720 MQRAAYZGUCRQGL-UHFFFAOYSA-N 347.260 4.496 0 1 EIAF N=C(N)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950090 PGIGKOAIAOCTDO-UHFFFAOYSA-N 342.402 4.230 0 1 EIAF COc1ccc2c(c1)[C@@](C)(COc1ccc(F)cc1)N(C(C)C)CC2 962088162 FGFPNNVGDQOFNZ-OAQYLSRUSA-N 343.442 4.395 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1cccn1Cc1cccs1)NCC2 962298390 LKVFOSYLAMMSND-LJQANCHMSA-N 326.440 4.281 0 1 EIAF Nc1nc2c(s1)[C@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962666406 MBSSMWBXQXUZAX-OAQYLSRUSA-N 347.487 4.118 0 1 EIAF CC(C)(C)c1cccc([C@@]2(C)c3ccsc3CCN2C(N)=O)c1 962719450 WRWBFZKHBYCVDT-IBGZPJMESA-N 328.481 4.246 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc2cn(C)nc2c1 963221844 AWWAFJMOAJIAKK-OPAMFIHVSA-N 333.479 4.493 0 1 EIAF Nc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1 1857656727 XHTJOGMFPLRVTO-UHFFFAOYSA-N 349.333 4.351 0 1 EIAF Clc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 28642195 KCHJGCRFBMOASW-SFHVURJKSA-N 340.858 4.293 0 1 EIAF C/C=C\[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954203 WHWHOCJFHMCYEE-OTDNITJGSA-N 325.117 4.196 0 1 EIAF CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N 40836107 BJOIQYDPPRYWPD-UHFFFAOYSA-N 332.403 4.483 0 1 EIAF COc1ccc(Cn2ccc3c(-c4ccco4)nc(Cl)nc32)cc1 64237790 OEYMSJKWJBRBBJ-UHFFFAOYSA-N 339.782 4.402 0 1 EIAF COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(N(C)C)cc2)cc1 95562742 ZOMYMLDBKJPGBI-UHFFFAOYSA-N 325.437 4.481 0 1 EIAF Clc1ccc(CNc2ccnc(-c3cccnc3)n2)cc1Cl 96271414 ZXJNDVSSCQNDKU-UHFFFAOYSA-N 331.206 4.458 0 1 EIAF Cc1cccc2cc3c(nc12)SC(NCc1ccccc1)=NN=C3 98083876 YGZGDTXUUMIPSH-UHFFFAOYSA-N 332.432 4.129 0 1 EIAF CCCC[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2C1=O 100759941 ZXGWWXJIFKCRNZ-INIZCTEOSA-N 347.418 4.030 0 1 EIAF CC(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)[C@]1(C)C=C[C@]2(C)C1 101992709 BEZKTMSNOYIAGD-NHCUHLMSSA-N 336.387 4.179 0 1 EIAF CCc1cc2c(ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c32)s1 137548723 RFSMSQFFLPNXIM-UHFFFAOYSA-N 329.812 4.144 0 1 EIAF C[C@@H](c1ccc(C2CC2)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146258377 LMKXYOASYAYGOU-AWEZNQCLSA-N 327.424 4.349 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@H]([C@@H]1[C@@H]53)[C@H]24 169335109 STSPSSDQNNGSJA-WDWCMDTMSA-N 340.555 4.005 0 1 EIAF COc1ccc(NC(=O)[C@@H]2CCc3ccc4ccccc4c3O2)cc1 169348128 SQNIOGKOPOHHEE-IBGZPJMESA-N 333.387 4.181 0 1 EIAF c1ccc(Nc2nc(NCC3CC3)nc(Nc3ccccc3)n2)cc1 216328667 QRUPXAPFGDJERN-UHFFFAOYSA-N 332.411 4.181 0 1 EIAF O=C1[C@H](c2ccc(Cl)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1 584629715 MROLISXVHFKEAO-SFHVURJKSA-N 337.810 4.251 0 1 EIAF COc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Cl 587015764 AVZFSCQQOKEYIB-GFCCVEGCSA-N 335.816 4.200 0 1 EIAF O=C1CCc2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc2N1 587085770 GRKKAYGWOBSIQV-UHFFFAOYSA-N 348.793 4.316 0 1 EIAF Cc1ccc2c3c(c(C[C@@H]4CCCO4)cnc13)-c1ccccc1C2=O 587101225 KTTVAIRSMFHUFZ-HNNXBMFYSA-N 329.399 4.476 0 1 EIAF Cc1ccc(C)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587120091 QMWPMYXSFUWFPS-UHFFFAOYSA-N 348.372 4.322 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](CCO)CCC3 587207689 VKTLEOGQNULXCY-CYBMUJFWSA-N 329.399 4.249 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc[nH]n3)o1)CC2=O 587485729 QOMRRRHDQPTHRV-SFHVURJKSA-N 338.363 4.034 0 1 EIAF CCOC(=O)C[C@@]1(CC2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520677 AQIGWCKGLHTSRT-OAQYLSRUSA-N 342.435 4.023 0 1 EIAF Cc1cnc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587526292 QOCUZJOREJNXBR-LJQANCHMSA-N 332.403 4.457 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C)C(F)(F)F)N1 587708247 AEECVHATMQUKLV-QHMRUWFYSA-N 340.158 4.362 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2F)N1 587737255 DLIOVRYUZSUHJQ-MURWCNHISA-N 330.216 4.230 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Cl)cc2[nH]1 587786648 JKFJEFZMMDUFSQ-UHFFFAOYSA-N 328.799 4.349 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)cc2)N1 587820546 PXGFBSSUVIIKLE-BMLIUANNSA-N 348.215 4.024 0 1 EIAF O=C(c1cnccc1C(F)(F)F)n1nc2cc1Oc1ccc(F)cc1-2 587873947 MWWPLQAFEOEIBB-UHFFFAOYSA-N 349.243 3.897 0 1 EIAF Clc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1 653709172 XINSSTGUTQPDTR-KRWDZBQOSA-N 333.884 4.333 0 1 EIAF Cn1c(C(=O)Nc2ccccc2)cc2sc(Br)cc21 1772632203 UBCVGEJHLFBQIU-UHFFFAOYSA-N 335.226 4.255 0 1 EIAF O=C(O)CCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 1857561982 VJNKONGRPBNDSV-UHFFFAOYSA-N 333.196 4.000 0 1 EIAF C[C@@H]1C[C@@H](Cc2ccccc2)[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31C2(C)C 2356365678 PYLONMJJKDMLCG-ZBMSERMTSA-N 340.463 4.063 0 1 EIAF COc1c(O)cc(C=Cc2cc(O)cc(O)c2)cc1CC=C(C)C 2356401218 XBACNDJIFDUGFM-UHFFFAOYSA-N 326.392 4.491 0 1 EIAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1 3834010 QVFLFQBWCBUKKT-UHFFFAOYSA-N 340.349 4.380 0 1 EIAF CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 13475343 VMFPRCQHRTWIPD-UHFFFAOYSA-N 343.430 4.068 0 1 EIAF CCOc1ccccc1-c1cc(Cl)cc2c1N1CCNCC[C@H]1C2 13535437 MWDZHASMPATZME-INIZCTEOSA-N 342.870 4.130 0 1 EIAF COc1ccc([C@@H](c2cc3ccc(OC)cc3o2)n2ccnc2)cc1 13680614 PKSNASDRHDFKQO-FQEVSTJZSA-N 334.375 4.284 0 1 EIAF COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(O)c2)cc1O 13780579 FHAGEYRSWPQEQJ-OKILXGFUSA-N 330.424 4.172 0 1 EIAF biogenic,in-vivo COC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CO5)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 16028050 AKWAWNXESMOSLR-OYDVVICCSA-N 328.452 4.037 0 1 EIAF biogenic CCCCOC[C@@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F 26644125 KFBUHNDQDVQDGC-GJZGRUSLSA-N 336.394 4.314 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CC[S@@](=O)O1 27655821 JECGQPIFTAOVLD-AIBQHXCESA-N 346.492 4.015 0 1 EIAF Cc1[nH]ncc1-c1ccc2nc([C@H]3COc4ccccc4C3)oc2c1 40380650 FGGOJUZSNJUKEG-OAHLLOKOSA-N 331.375 4.245 0 1 EIAF CC(C)(C)n1nc(Cc2ccccc2Cl)c2ccccc2c1=O 40763251 BYCOZCHKPUFNCB-UHFFFAOYSA-N 326.827 4.396 0 1 EIAF C=Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335254 DQNYJGMBMWJKJV-HXUWFJFHSA-N 332.451 4.282 0 1 EIAF COc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl 117723987 ZBNVJXGGHHKIFD-OAHLLOKOSA-N 344.842 4.068 0 1 EIAF CC(=O)Oc1ccc([C@@H](OC(C)=O)c2ccc3ccccc3c2)cc1 139317704 DGIDXDGXKAUSCD-OAQYLSRUSA-N 334.371 4.418 0 1 EIAF Oc1ccc(C2(c3nc4cc(Cl)cc(F)c4[nH]3)CCOCC2)cc1 586913489 PHRLCHZRGHOZGB-UHFFFAOYSA-N 346.789 4.158 0 1 EIAF Cc1cncc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914411 HDHWBAIONOFSGN-UHFFFAOYSA-N 345.358 4.035 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(Cl)c2[nH]1 586918367 XNADQQYQYXVIRN-ORAYPTAESA-N 340.810 4.433 0 1 EIAF CCCC(Br)(CCC)c1nc2cncc(OC)c2[nH]1 586971803 XVBKMEVITVRUQM-UHFFFAOYSA-N 326.238 4.157 0 1 EIAF Cc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1C 586982230 IQGMQGZRKXAZIB-UHFFFAOYSA-N 329.197 4.422 0 1 EIAF COc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017682 OPDPYTKNKFZGLY-UHFFFAOYSA-N 342.811 4.410 0 1 EIAF Brc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cn1 587044050 YABYRUCEYAADQC-GFCCVEGCSA-N 332.226 4.110 0 1 EIAF Brc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2n1 587044072 YOYLLMIOOXHIEO-LLVKDONJSA-N 332.226 4.110 0 1 EIAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587358469 YPBADEXPVXPKMX-FXAWDEMLSA-N 326.367 4.449 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(C)=O)s1)CC2=O 587492138 AXXBTSSRZQOTKZ-HNNXBMFYSA-N 345.420 4.071 0 1 EIAF C[C@H]1COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536080 RFTBKWFWNKZDQB-RCDICMHDSA-N 334.415 4.455 0 1 EIAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638466 LXIIOOFGOGHODM-UHFFFAOYSA-N 329.739 4.112 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)cc(F)c2[nH]1 587927104 OCQHHVDGLPOWKC-GFCCVEGCSA-N 332.350 4.400 0 1 EIAF C[C@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)CC(=O)O 587963010 MQQVIMRXZDFIEO-SSDOTTSWSA-N 334.725 4.279 0 1 EIAF CC1([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)CC1 962963706 YBCQNFRNOYBWHD-QGZVFWFLSA-N 339.401 4.372 0 1 EIAF N=c1ccc(-c2cccc(OCc3ccc(Cl)cc3Cl)n2)c[nH]1 1857764977 GWFZKNZSCLNCGK-UHFFFAOYSA-N 346.217 4.442 0 1 EIAF COc1ccc([C@@H](Nc2cccc3ccccc23)P(=O)(O)O)cc1 1857774672 BJVCZHODCCQPKL-SFHVURJKSA-N 343.319 4.137 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C[C@@H]12)OC(=O)[C@@H]3C 2356626958 QPYNKFVRSIYHQA-XWUAXACZSA-N 332.440 4.158 0 1 EIAF C(=C/c1ccccc1)\Cn1nc(-c2ccccc2)nc1-c1cnccn1 1635123 HZHZUUIYLXEPAL-JXMROGBWSA-N 339.402 4.116 0 1 EIAF C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1 5034966 LIEPNLLABKGRMO-STQMWFEESA-N 342.870 4.495 0 1 EIAF Clc1cc2c(c(-c3ccccc3Cl)c1)N1CCNCC[C@@H]1C2 13535500 PJATZGLSONELKB-CQSZACIVSA-N 333.262 4.385 0 1 EIAF COc1cc2c(cc1Br)CC[C@@H]1[C@H](c3ccncc3)[C@H]21 13741597 BKRNEVWSNKCMMT-DQYPLSBCSA-N 330.225 4.296 0 1 EIAF O=C(OCCN1CCCCCC1)[C@H](c1ccccc1)c1ccsc1 13864163 KSLPMGPWGNSRTD-LJQANCHMSA-N 343.492 4.299 0 1 EIAF COC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO 15165713 HXEGZMICEDPCFY-MSOLQXFVSA-N 328.493 4.381 0 1 EIAF biogenic CC1(C)C=C(N2CCCCC2=O)c2c(cccc2C(F)(F)F)O1 26822523 WDCHFLLRISWVQB-UHFFFAOYSA-N 325.330 4.230 0 1 EIAF COC(=O)C/C=C\[C@H](C)[C@H](OC)c1cc(F)ccc1Br 72998118 RPBLHNKNTOKICO-ACTWMTSASA-N 345.208 4.031 0 1 EIAF CC[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 195410768 GTQKXNGZWXCFBI-ACWOFJMJSA-N 344.414 4.338 0 1 EIAF OCc1ccc(OCc2ccc(OCc3ccc(O)cc3)cc2)cc1 238754597 WYPKBXRUYBXARO-UHFFFAOYSA-N 336.387 4.043 0 1 EIAF COCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 299819284 BNNSZVXJKPLGHT-UHFFFAOYSA-N 340.375 4.416 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccc(OC)cc1 299845191 PDYNYWNQALHFBR-DYQZNNLLSA-N 334.415 4.395 0 1 EIAF CCOC1=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993180 UPQWPMQSVDLDLE-UHFFFAOYSA-N 329.355 4.085 0 1 EIAF N=c1[nH]ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062103 BXODMOKYWSKTKN-UHFFFAOYSA-N 334.810 4.282 0 1 EIAF Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2n1 587076586 KQNJHQBWVYLFLH-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF Cc1ncn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587105133 PPKLMZGQIFNWBP-UHFFFAOYSA-N 339.398 4.308 0 1 EIAF CCc1c([C@@H](C)C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587105858 FTQLBSLFQRUNDK-GFCCVEGCSA-N 345.398 4.285 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(F)(F)F)O2 587381517 GLMBXZFLNZCBCI-OAHLLOKOSA-N 337.297 4.182 0 1 EIAF CCCC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520890 BOISSZPKNVXSKB-HXUWFJFHSA-N 330.424 4.023 0 1 EIAF O=C1C[C@]2(CCCC[C@H]2[C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587536787 WMOUQZHDKKWYIY-WVBUVRCRSA-N 340.463 4.496 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@H]1CCCN1C(=O)OC(C)(C)C 587638323 FOOXSHQGBCDKGU-CQSZACIVSA-N 344.411 4.247 0 1 EIAF CCC=CCC=CC[C@H](O)[C@H](C=C[C@H]1CC=CCCCC(=O)O1)OC 2356466742 QXHLHGKKWDCOOY-AABGKKOBSA-N 348.483 4.263 0 1 EIAF COc1ccc([C@@H]2c3c(ccc4c3OCO4)C[C@@H](C)[C@H]2C)cc1OC 2356496756 ZJRZMBOBSXVTJW-VLXJIEOASA-N 340.419 4.393 0 1 EIAF CCOC(=O)C1(Cc2ccccc2)CCN(C[C@@H]2CC=CCC2)CC1 12050132 VMKAWVINMIKTDU-HXUWFJFHSA-N 341.495 4.231 0 3 EIAF CC(=O)N1CCC([C@@H](Oc2ccccc2)c2ccc(F)cc2)CC1 13531018 NBDCHRYNSWMLCY-FQEVSTJZSA-N 327.399 4.204 0 1 EIAF COc1ccc(Br)c2c1CC[C@@H]1[C@H](c3ccncc3)[C@H]21 13741595 SLXPOBZDYHEQIS-ISTRZQFTSA-N 330.225 4.296 0 1 EIAF O=c1ccc2cnc(Nc3ccccc3)nc2n1CC1CCCCC1 13835434 WNWKONPFGBOCGT-UHFFFAOYSA-N 334.423 4.115 0 1 EIAF CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N1CCCC1 20103792 CJMDMIIBLNOQJD-UHFFFAOYSA-N 338.329 4.031 0 1 EIAF CCCCC/C=C/C[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 25974082 LRPPQRCHCPFBPE-DSCGWZKLSA-N 338.488 4.382 0 1 EIAF CN1C[C@H](CC(=O)c2ccccc2)CC[C@@H]1CC(=O)c1ccccc1 33832312 AHSYGTGCCMEKRI-FXAWDEMLSA-N 335.447 4.243 0 1 EIAF biogenic NC(=O)NC(=O)[C@H](CC1CCCCC1)c1ccc(Cl)c(Cl)c1 38841151 JMRYUUKIWGVQSW-GFCCVEGCSA-N 343.254 4.242 0 1 EIAF CC(C)C[C@H]1c2[nH]c3ccccc3c(=O)c2CN1C(=O)OC(C)(C)C 45230124 QRCNPDWERSOIAX-INIZCTEOSA-N 342.439 4.366 0 1 EIAF CCN(CCNCc1coc(-c2cccs2)n1)c1cccc(C)c1 72101280 NPULKGUYHVDHLK-UHFFFAOYSA-N 341.480 4.328 0 1 EIAF CCCCNC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(F)cc1 82139371 CGCRNEBVTUVPLU-ZDUSSCGKSA-N 344.434 4.023 0 1 EIAF CC(C)(C)COc1cccc2ccc(-c3nnc4ccccn34)nc12 96174969 CUWBXIFJTGMJHU-UHFFFAOYSA-N 332.407 4.369 0 1 EIAF CN(C)[C@H]1[C@@H]2CC[C@H](C[C@@H]2OC(=O)c2ccccc2)[C@@H]1c1ccccc1 100839648 RNZUABSIOANGLF-AANPDWTMSA-N 349.474 4.356 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 169704901 FVKLJXVKEMVGAL-ZFWWWQNUSA-N 338.386 4.160 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 299805823 NNSRXNWUJQJDLG-RBEDUZBASA-N 347.543 4.094 0 1 EIAF O=C(NCc1ccccc1)c1csc(-c2c[nH]c3ccccc23)n1 473247751 GZUWQNCEDDMGNA-UHFFFAOYSA-N 333.416 4.221 0 1 EIAF Cc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1C 586982943 SEDHYKMNEXMSQW-UHFFFAOYSA-N 329.197 4.422 0 1 EIAF Cc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587011650 AZSHTOSEIYELKS-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF FC1(F)Oc2cc3nc([C@@H]4Cc5ccccc5S4)[nH]c3cc2O1 587044068 YMGLARNESPDZRA-AWEZNQCLSA-N 332.331 4.274 0 1 EIAF Cc1onc(-c2nc3ncccc3[nH]2)c1COc1ccc(Cl)cc1 587075000 CYIAVQFDECUZQR-UHFFFAOYSA-N 340.770 4.154 0 1 EIAF COc1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587087192 ITBYWYJPUPJORJ-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)ncc4[nH]3)cc2[nH]1 587120826 WPXVKQYYXFGWKE-UHFFFAOYSA-N 337.692 4.173 0 1 EIAF CCN(C)C(=O)Oc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587212922 MHQIADFNHCQMAA-UHFFFAOYSA-N 332.403 4.451 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)nc1C)O2 587383254 RTVBNYITZDUGTC-CQSZACIVSA-N 336.313 4.006 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(OC)c1)CC2=O 587468322 WFUGGOLTSLZQOI-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF O=C1C[C@@H](c2nc3ccc(F)cc3[nH]2)Oc2c1ccc1c2CCCC1 587504481 HIIBFHUUNTWJLL-SFHVURJKSA-N 336.366 4.287 0 1 EIAF O=C(O)/C=C/c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529900 RWFQSRHUYMOMMJ-XETPZZHUSA-N 348.398 4.370 0 1 EIAF COc1ccc(-c2ccc(-c3nc4c(O)nccc4[nH]3)cc2)cc1OC 587928288 BBCXEIYYIAPJRS-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF CCC[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C 587955303 MUXILRBIFLYBAX-NSHDSACASA-N 348.390 4.396 0 1 EIAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 653747421 MOQUYJYEUZNQIR-UHFFFAOYSA-N 332.359 4.001 0 1 EIAF ClC1=C(Cn2cc(-c3ccccc3)nn2)CCOc2ccccc21 653767884 ALWYBBKXLCDBFE-UHFFFAOYSA-N 337.810 4.378 0 1 EIAF CC1(C)CCc2c([C@H]3CCc4ccc(O)cc4O3)ccc(O)c2O1 1772612733 CYDTZRVKINKYIO-QGZVFWFLSA-N 326.392 4.268 0 1 EIAF CCn1cnc2c(-c3ccc(F)c(Oc4ccnc(C)c4)c3)cnnc21 1857560995 RLKSUEBDQIWVPB-UHFFFAOYSA-N 349.369 4.148 0 1 EIAF COCc1cccc(-c2csc([C@@H](O)c3cccc(OC)c3)n2)c1 61902470 ZUSBECPDOGFQEA-SFHVURJKSA-N 341.432 4.047 0 3 EIAF Fc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 13776227 ZBKITZYQNFJNIF-DFNIBXOVSA-N 329.390 4.354 0 1 EIAF Cc1c(CC2CCCCC2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 26480651 HRMLXPQYRMEHHU-UHFFFAOYSA-N 343.423 4.285 0 1 EIAF CC(C)N1CCC(COc2nc3ccsc3n3cccc23)CC1 40408131 XZJQOXFJZNYYOX-UHFFFAOYSA-N 329.469 4.048 0 1 EIAF O=C(Nc1ccccc1C(=O)O)c1cc(O)cc(Oc2ccccc2)c1 40977411 NWGDDDASOFBJPV-UHFFFAOYSA-N 349.342 4.135 0 1 EIAF O=C(O)[C@@H]1C[C@@H](F)CN1CCC=C(c1ccccc1)c1ccccc1 45350454 BNOWYSCFNGUYGZ-QUCCMNQESA-N 339.410 4.005 0 1 EIAF O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc(Cl)ccc1N2 45484312 SFNCPTSLJMQTTI-OAHLLOKOSA-N 332.186 4.362 0 1 EIAF Nc1c2c(nc3ccccc13)-c1cc(Br)ccc1CC2 49036874 ZHCIZNYIQLXSOR-UHFFFAOYSA-N 325.209 4.345 0 1 EIAF CCCCN(C)c1cc(Br)cc(Br)c1O 66100024 SULUHVCLNUOHIS-UHFFFAOYSA-N 337.055 4.154 0 1 EIAF C[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935073 YCRLYRAFXZNTGQ-HKAGCZBPSA-N 349.902 4.283 0 1 EIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1N2C 101007973 LFJPCUHETVUFNZ-SFNKJDCFSA-N 341.476 4.154 0 1 EIAF CC[C@]1(C(=O)NCCc2cc(Cl)cs2)[C@@H](C)C1(Cl)Cl 103296637 UGXOFPYMLFHVFP-PRHODGIISA-N 340.703 4.280 0 1 EIAF O=C(Nc1cc(Cl)ccc1-c1ccccc1)c1cnn2cccnc12 113652919 PYEPHWPPQFCOBH-UHFFFAOYSA-N 348.793 4.302 0 1 EIAF CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@H]2CCCC[C@@H]21 144440417 OWIWVULUMNNUKT-PMACEKPBSA-N 345.446 4.055 0 1 EIAF Cc1cccc2c([C@@H](O)C[C@@H]3CCCCN3)cc(C(F)(F)F)nc12 169334025 MIZLTSCRUCEYQB-WFASDCNBSA-N 338.373 4.128 0 1 EIAF C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)OC1 238745863 FEOFLRVZBOQGQA-DYLQCGAMSA-N 332.440 4.113 0 1 EIAF CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCCC=C12 253665510 OVURERDJMLXMHG-ZTGNEAELSA-N 330.468 4.450 0 1 EIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586908147 ZLNPKHZPPSRFQA-SSDOTTSWSA-N 332.709 4.044 0 1 EIAF Cn1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986513 BPJFFQIRNVWEGI-UHFFFAOYSA-N 326.355 4.157 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](O)[C@H]4C)-c1ccccc1C2=O 587102562 XOJCRJLUYFXZIS-SJKOYZFVSA-N 329.399 4.165 0 1 EIAF Nc1cc(F)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1N 587136862 XODZYOMPIPLDGH-UHFFFAOYSA-N 342.321 4.145 0 1 EIAF C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340835 UKIQWHIUHMPFPQ-CTNGQTDRSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)ccc1O)O2 587402968 CZNJGNWIZMDEQU-GOSISDBHSA-N 325.408 4.287 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(s1)CCCC3)O2 587415902 YXQZXUXRVZVWJF-IBGZPJMESA-N 327.449 4.398 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587420177 GNRJLQGZHLZUDP-GTNSWQLSSA-N 335.186 4.491 0 1 EIAF CN(C)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501376 CKAAEHAOMMLTLM-OAQYLSRUSA-N 335.447 4.334 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587785750 OLLFVQFMCCHDHC-VXGBXAGGSA-N 344.773 4.299 0 1 EIAF Fc1cccc(N2CCCC2)c1[C@@H]1NCCc2cc(Cl)ccc21 963390048 FKJYLBPLBRZBNL-LJQANCHMSA-N 330.834 4.314 0 1 EIAF CC[C@@H](C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)(O)O 1772610878 GFNPKNXHMCDFEQ-VXGBXAGGSA-N 328.345 4.159 0 1 EIAF O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccc(O)cc1 4291767 AGCXWRBNCJJTAU-SFHVURJKSA-N 348.427 4.445 0 3 EIAF CC[C@]1(c2ccccc2)C(=O)c2cccn2-c2ccccc2[S@@]1=O 13756787 DNJXAPVRLRXLBO-GBXCKJPGSA-N 335.428 4.087 0 1 EIAF CN(CCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1 13794309 IRDKUAUYWINDNO-UHFFFAOYSA-N 346.478 4.468 0 1 EIAF Cc1cc([C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C)CC2)sn1 28247151 IYOXSRHQUBKYKD-LJQANCHMSA-N 343.540 4.086 0 1 EIAF O=C1[C@H]2[C@@H]3CCC[C@@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 28353564 KZFJZNKZNIRSKS-AGCIHXOGSA-N 337.341 4.021 0 1 EIAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1 28527849 OBWOLKQSIBBZJU-UHFFFAOYSA-N 347.418 4.125 0 1 EIAF COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CCC(C)C 34280699 MEHAVUPWRLUIQY-UHFFFAOYSA-N 342.435 4.473 0 1 EIAF biogenic COc1cc2ncnc(N3CCC[C@H](c4ccccc4)C3)c2cc1OC 35813674 QQBQKXDOFNGQJS-INIZCTEOSA-N 349.434 4.031 0 1 EIAF O=C(O)c1c[nH]c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O 43071079 VFBFHVPWOFQVNW-UHFFFAOYSA-N 348.185 4.124 0 1 EIAF C[C@@H]1C[C@@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCN1 49051103 CUVCFXBDBPAFQU-CABCVRRESA-N 342.870 4.125 0 1 EIAF COc1ccccc1Oc1cc(NC[C@H](C)c2ccccc2)ncn1 82068347 LEBBKWOFGJMMII-HNNXBMFYSA-N 335.407 4.493 0 1 EIAF CC(C)c1ccc(O)c(-c2cccc(C(F)(F)P(=O)(O)O)c2)c1 96285013 GXLZUGCQUQEUCW-UHFFFAOYSA-N 342.278 4.410 0 1 EIAF CN(C)c1ccc(-c2nccc(NCc3ccc(Cl)cc3)n2)cc1 96922235 CWXVYIUNPMWCCQ-UHFFFAOYSA-N 338.842 4.475 0 1 EIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncncc4[nH]3)c21 587031077 OCWJCNKPSZCANG-NSHDSACASA-N 335.436 4.312 0 1 EIAF COc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Cl 587058180 FLPRKPKITIDURZ-LBPRGKRZSA-N 336.222 4.121 0 1 EIAF Clc1ccc(-c2cnccc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 587074232 UDWKDZPPXQIIDJ-UHFFFAOYSA-N 342.189 4.340 0 1 EIAF Nc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095785 UWUHYEJKHZJUJB-UHFFFAOYSA-N 330.672 4.018 0 1 EIAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378172 MQHGIZQSMLICBC-BONVTDFDSA-N 347.846 4.413 0 1 EIAF CCOc1ccc([C@@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401229 ULKNWUAXWXAQJM-HXUWFJFHSA-N 325.408 4.247 0 1 EIAF CC[C@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439701 MMRKHLHMMARRFB-CFTTWAEZSA-N 338.403 4.361 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1OC)CC2=O 587458440 BWNXDCDRJRPAPF-HNNXBMFYSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)cc1)CC2=O 587475591 AXXBICOMFMNBFA-OAQYLSRUSA-N 340.419 4.320 0 1 EIAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)O[C@H](C1CCCCC1)C2 95569406 REXXWSMHQUYRAQ-RDJZCZTQSA-N 342.464 4.043 0 3 EIAF C[C@@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccccc3nn21 206061632 AWBQVCZWSVCOSY-SECBINFHSA-N 345.233 4.337 0 3 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 4430040 FMPNFDSPHNUFOS-XEZZEIAESA-N 345.527 4.419 0 1 EIAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc3snnc3c2)C1 5152192 YPQNGCWYTIJSRE-SJKOYZFVSA-N 330.457 4.124 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 5566264 HTJLAOAUYDTOJA-GFERIFIOSA-N 332.440 4.108 0 1 EIAF C[C@H]1CN(CC[C@H](O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 6037804 YJQIKSUIZIHGOJ-BULFRSBZSA-N 339.479 4.115 0 1 EIAF Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1 13740009 GUKYQGILZRXNTA-UHFFFAOYSA-N 344.366 4.155 0 1 EIAF CCCC[C@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801092 RPGHZIYTMMZENP-IBGZPJMESA-N 327.468 4.377 0 1 EIAF C[C@H](O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26389598 YNZAQRSPHOQQKX-RGAMDWGFSA-N 347.543 4.093 0 1 EIAF CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F 28956589 YEVRWPORWAZPHR-UHFFFAOYSA-N 335.762 4.298 0 1 EIAF O=c1c2ccccc2c2c(n1Cc1ccccc1)-c1ccccc1[C@H]2O 29129423 ADLKKNYKCKAUGG-JOCHJYFZSA-N 339.394 4.112 0 1 EIAF Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1 29395864 QONNLUMTBIZJFP-UHFFFAOYSA-N 338.213 4.098 0 1 EIAF CN(Cc1ccccc1)C[C@@H](O)C(c1ccccc1)c1ccccc1 39245449 VAMLBGZHUBDZNK-JOCHJYFZSA-N 331.459 4.311 0 1 EIAF C[C@@H](O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 79755168 YNZAQRSPHOQQKX-GIQNSJGASA-N 347.543 4.093 0 1 EIAF CN(Cc1ccccc1)c1cc(Oc2cccc3cccnc23)ncn1 82067469 XZVHWEQCVJBNSD-UHFFFAOYSA-N 342.402 4.454 0 1 EIAF Cc1csc(NC(=O)c2cccc(COc3ccccc3F)c2)n1 95755545 CABQJPZGAQZJSN-UHFFFAOYSA-N 342.395 4.422 0 1 EIAF CCCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CC[18F] 102899483 AMCHMCFQZZZVHL-DLGGVWGKSA-N 329.450 4.289 0 1 EIAF c1cc(CCO[C@H]2CCCC[C@H]2N2CCOCC2)c2ccsc2c1 114824549 LOUMDQLKJNIXQB-MOPGFXCFSA-N 345.508 4.104 0 1 EIAF CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 169330598 HQNABVZJQKSLJX-FIEBPNJBSA-N 331.463 4.064 0 1 EIAF O[C@@H](C[C@H]1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1 205771430 FPKRCRNJVIHTNG-HOCLYGCPSA-N 336.357 4.169 0 1 EIAF CSC(C)(C)Cc1cc(CNC23CC4CC(CC(C4)C2)C3)no1 207254999 HUVZUHPSPAQLFE-UHFFFAOYSA-N 334.529 4.417 0 1 EIAF OCc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 586895317 DWEXROSYFQTXTN-UHFFFAOYSA-N 330.387 4.301 0 1 EIAF Cc1cc(Br)cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586896253 MTJAHJZRPLHPBM-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF COc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005882 XVLDDDHDJAMIOM-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(C(=O)O)c2[nH]1 587062209 NYMAIKOTDNXQSY-CYBMUJFWSA-N 330.771 4.445 0 1 EIAF Clc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CCC2)cc1 587073685 JTVQFNWMWGSZHW-UHFFFAOYSA-N 326.783 4.415 0 1 EIAF CCOC(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107716 UGRRMHGPXHCUJO-MRXNPFEDSA-N 343.382 4.039 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(F)cc3)n1)O2 587385320 RWYFAADTWGFOLB-HXUWFJFHSA-N 348.377 4.485 0 1 EIAF CC[C@]1(c2c(F)ccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428437 ZIPICUPWDIVJAA-WYRIXSBYSA-N 348.320 4.165 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4c(C)c(C)ccc4[nH]1)[C@@H](C2)C3=O 587438755 QQKUYDSEICXSEB-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC[C@](C)(c4ccccc4)C1)[C@@H](C2)C3=O 587448152 ZOLBKJLXTFCOLO-BULFRSBZSA-N 334.415 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C3CCCC3)c1)CC2=O 587474346 FIQVDJBWMYRHCF-IBGZPJMESA-N 340.423 4.363 0 1 EIAF C[C@]1(c2ccc3[nH]ncc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523214 HJKUIAPPIDRAPR-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF CC(C)O[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587524580 OUUSOPMNUZIIML-GHTZIAJQSA-N 328.452 4.493 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)cc(F)cc1F 587870482 AGOIQAPOBZTSQR-UHFFFAOYSA-N 336.288 4.494 0 1 EIAF CC[C@@]1(Cc2nc3c(Cl)ccnc3[nH]2)CC(=O)c2ccccc2C1 587959827 IBIVXJWBVILJPU-IBGZPJMESA-N 339.826 4.379 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C)[C@]12C 2356645589 WPNXICJHRZQRMC-XFHUWUJUSA-N 332.440 4.252 0 1 EIAF C[C@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(C)C2=O 2356807306 WFNNOZZRFPORKZ-ZSEKCTLFSA-N 343.467 4.318 0 1 EIAF C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 6635 AGWBMRMDTWHPJM-YJYMSZOUSA-N 328.843 4.076 0 1 EIAF CC(=O)N[C@@H](C)CCC1CCC(Oc2ccc(OC(C)C)nc2)CC1 66252120 BGSSITZNPKHFTP-ZLPCBKJTSA-N 348.487 4.111 0 1 EIAF CCN(CC)c1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 82067552 QYDNELFOPLBVRU-UHFFFAOYSA-N 347.418 4.346 0 1 EIAF CCCN(CCC)CCCNc1[nH]cc(C)c2nc3ccncc3c1-2 102197762 BJNNYJRBIQNFSE-UHFFFAOYSA-N 339.487 4.295 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C=C(CO)[C@H](CC[C@@H]23)C4)C1(C)C 196666366 AWZPBJFLHAFGDK-KYRPMQACSA-N 346.511 4.489 0 1 EIAF O=C(O)[C@@H]1CCCN(CC[C@H](Cc2ccccc2)c2ccccc2)C1 299810963 ZMLFETNLPXOENJ-NHCUHLMSSA-N 337.463 4.200 0 1 EIAF N[C@@H](c1ccsc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587025493 NAPYXCCMTCRJRU-NSHDSACASA-N 329.372 4.284 0 1 EIAF FC(F)(F)c1cnc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587083967 FXAJSTFDELXVDJ-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF CCOC(=O)C(=C1SCS1)c1cc2c3c(cccc3n1)CC2 587359713 IKUSXNJRGZIMAZ-UHFFFAOYSA-N 329.446 4.003 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C1/CCCO1)(c1ccccc1)O2 587410869 GUJNXLUVDPUBNP-MJGOQDMVSA-N 335.403 4.132 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(C)cc1F)[C@@H](C2)C3=O 587425006 ZXUYNHBXHAHBGD-ORAYPTAESA-N 346.785 4.459 0 1 EIAF CC(C)C(C(C)C)[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977975 PYDMTUNYSRKUJJ-LRDDRELGSA-N 345.817 4.186 0 1 EIAF Fc1cccc2c1[C@@H](c1nc3c(s1)CCCC3)N1CCC[C@H]1C2 963096695 GAKHGVJWKQTBTE-UGSOOPFHSA-N 328.456 4.271 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN[C@H](C)[C@@H]2CC[C@@H]34)C1 2356584083 SHCHXCXYUPHKHW-KSOKIZOSSA-N 328.544 4.125 0 1 EIAF CCCCN(C(=O)CCC(C)C)[C@@H](CC)C(=O)NCc1ccccc1 2356874746 YYTIJCYDYWCNMX-IBGZPJMESA-N 346.515 4.146 0 1 EIAF CN[C@H](C(=O)c1ccccc1)[C@H](OC(C)C)c1ccc(Cl)cc1 61705225 KZLHEJJWQRKCFX-IEBWSBKVSA-N 331.843 4.277 0 3 EIAF CC1(C)Cc2c(sc3nc(=S)n(Cc4ccco4)c(O)c23)CO1 253498408 WAXMVYQZIPMXPO-UHFFFAOYSA-N 348.449 4.025 0 3 EIAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCC1 775597 QFLXVKCPRNBFHF-UHFFFAOYSA-N 342.439 4.320 0 1 EIAF COc1cc2c(cc1C)C(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C 12153862 SAYFFKOYQFYZOH-IRFCIJBXSA-N 344.451 4.216 0 1 EIAF biogenic,in-vitro Cc1ccnc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 13141360 HJJDMAOSFFABDG-UHFFFAOYSA-N 325.393 4.028 0 1 EIAF O=C(Nc1n[nH]c2cc(-c3ccc4ncccc4c3)ccc12)C1CC1 13538584 JFZGEPPVLYJUNT-UHFFFAOYSA-N 328.375 4.127 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@H]1N2C 28137401 LFJPCUHETVUFNZ-FAJBIJEISA-N 341.476 4.154 0 1 EIAF O=C1Oc2ccccc2/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 28527957 KXKXNRIDMULVSU-XMHGGMMESA-N 342.350 4.365 0 1 EIAF COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N3CCC[C@@H]3C2)cc1 28949727 UAYCRIGNNUIBHW-QGZVFWFLSA-N 349.430 4.009 0 1 EIAF Cc1nn(CCO)c(C(C)C)c1Cc1cc(Cl)cc(Cl)c1 34028528 TVDZTYXOIROIGI-UHFFFAOYSA-N 327.255 4.205 0 1 EIAF O=C(O)[C@@H]1CC[C@@H]2C[C@H](C(c3ccccc3)c3ccccc3)CCN2C1 40723581 RUPOWHOOSCMNSP-NJDAHSKKSA-N 349.474 4.394 0 1 EIAF O=C(c1cccnc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 40914620 YKQOXJGNUUJMKS-UHFFFAOYSA-N 333.778 4.440 0 1 EIAF C[C@@H](O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 79755172 YNZAQRSPHOQQKX-NPHSEXRSSA-N 347.543 4.093 0 1 EIAF CC1=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2C1 96169412 ZFSHXUZBYUIUDZ-FPOVZHCZSA-N 330.431 4.280 0 1 EIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(C)s3)oc2c1 139417014 JHAAWJSAWHKMHF-LLVKDONJSA-N 339.420 4.115 0 1 EIAF O=C1Nc2ccccc2[C@@H](O)C1(Cc1ccccc1)Cc1ccccc1 169346064 IKGCNYQNFJATMF-OAQYLSRUSA-N 343.426 4.144 0 1 EIAF CC1(C)[C@H]2CC[C@]3(C)O[C@](C)(CC(=O)O)CC[C@H]3[C@]2(C)CC[C@H]1O 238765262 XBLJAVLLTSKQKX-UGCNJCKESA-N 338.488 4.002 0 1 EIAF O=C(O)CCC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCCO 263614395 IWYJGYZCHKEPCK-LUVHHMCMSA-N 336.472 4.160 0 1 EIAF in-vitro Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]1 299825299 BSLMZLGDLNHLRL-UHFFFAOYSA-N 347.205 4.218 0 1 EIAF Oc1ccc(C2(c3nc4ccc(Br)c(F)c4[nH]3)CC2)cc1 586898034 FLRSYQFGDFWSCV-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587013413 OFBAKROFZTWRMB-UHFFFAOYSA-N 327.240 4.358 0 1 EIAF COC(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027387 DAFDMYNVBGBJSZ-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF Clc1ccc(-c2nc3c(Br)cncc3[nH]2)nc1Cl 587084472 NGWSHBCULKEJBA-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Oc1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135334 XGTDYJJQOUPHPF-SNAWJCMRSA-N 326.224 4.134 0 1 EIAF COc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201554 RXLMWAIDUKYSRY-UHFFFAOYSA-N 347.459 4.152 0 1 EIAF CSc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587385786 QFJAXVMQDTZWJR-GOSISDBHSA-N 331.412 4.319 0 1 EIAF Cc1ccc([C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587396203 XQPDSLNGNYLPHH-QFIPXVFZSA-N 344.414 4.190 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4C[C@H]1C)[C@@H](C2)C3=O 587419476 FJBJNCKULWHURY-YEDKGOCGSA-N 340.806 4.184 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CC)c1)CC2=O 587480056 DZKBEKNENYQARH-NRFANRHFSA-N 340.419 4.493 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c[nH]1 587550408 AGHHCKPVWOVHGU-QAPCUYQASA-N 341.750 4.077 0 1 EIAF O=c1ncccn1-c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587632399 WFUKTNFOGQVZPU-UHFFFAOYSA-N 339.757 4.173 0 1 EIAF CC[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587773081 HWHIVARRVZDTID-DIFFPNOSSA-N 349.247 4.171 0 1 EIAF COc1cc2c(cc1OC)[C@H](Cc1cc(C)ccc1C)N(C)[C@@H](C)C2 962635931 VEAMVIUSZXHUSP-JXFKEZNVSA-N 339.479 4.481 0 1 EIAF C[C@]1(c2ccc(C(=O)O)cc2)NCCc2cccc(-c3ccccc3)c21 962666179 LGCSHEXRJGZEOQ-HSZRJFAPSA-N 343.426 4.461 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1ccccc1 963243965 UTZKTPQUQYICEY-VGSWGCGISA-N 337.463 4.150 0 1 EIAF Cn1c(=Nc2ccccc2)[nH]c2cnc(-c3ccc(Cl)cc3)cc21 1857620397 OXXAZSFVBZXXAQ-UHFFFAOYSA-N 334.810 4.454 0 1 EIAF CC(C)=CCc1ccc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1O)O2 2356475144 QHQITHLCDFBNJP-GOSISDBHSA-N 340.375 4.019 0 1 EIAF Cc1cc(=O)c2c(o1)O[C@]1(C)[C@H](CC[C@@H]3C(C)(C)C(=O)CC[C@]31C)C2 2356632348 KSPJPGGJDQMWRK-DYHJEVMOSA-N 344.451 4.063 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356710306 YRFLKMLJQWGIIZ-HCXYKTFWSA-N 338.488 4.072 0 1 EIAF CC(C)COC(=O)c1cc(NC(=S)OC(C)C)ccc1Cl 14571 PZROPOQWDWUAQC-UHFFFAOYSA-N 329.849 4.275 0 1 EIAF CC[C@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 4907770 WQDQABFJNZBPDF-HNNXBMFYSA-N 340.492 4.327 0 1 EIAF Cc1cc(C)cc(Cc2c(CC(C)C)c(C)[nH]c(=O)c2N(C)C)c1 5892007 ONJALOWSUSAVJN-UHFFFAOYSA-N 326.484 4.155 0 1 EIAF O=C(Cn1cnc(-c2ccccc2)c1-c1ccccc1)N1CCCCC1 7343954 XVWIFZWDNOIVMY-UHFFFAOYSA-N 345.446 4.230 0 1 EIAF O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@@H]1CCCCN1 27524209 OAKOEIPZSOOLIY-WFASDCNBSA-N 344.764 4.083 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 28476989 UBWOPONWVXRTKE-ALCLCTQTSA-N 342.571 4.467 0 1 EIAF biogenic COc1c(CC=C(C)C)c(O)cc(CCc2ccccc2)c1C(=O)O 40951633 LWTSBJAZSUSNIF-UHFFFAOYSA-N 340.419 4.393 0 1 EIAF biogenic Cc1c(Cl)cccc1-c1ccccc1C(=O)NCC1CCNCC1 49035680 ZBOXDPBJAOCCQB-UHFFFAOYSA-N 342.870 4.045 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13 98064815 SGXWBMFFSSZDCX-WJALPBAKSA-N 330.468 4.140 0 1 EIAF C=Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCCC)cc1)C2 166563902 LGZIMNCAFOXXBH-UHFFFAOYSA-N 349.434 4.017 0 1 EIAF Clc1ccccc1[C@H]1CCN(c2ccc3c(c2)CCNCC3)C1 169347281 QYLJQCRJYVHNQO-KRWDZBQOSA-N 326.871 4.022 0 1 EIAF CC(C)CCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169365670 DXPXPTSTQIBWMJ-QWZOMWNOSA-N 336.472 4.270 0 1 EIAF Cc1ccc(F)cc1-c1cc(C)c2cc(NC(=O)C3CC3)ncc2n1 169700091 MQKBGSQBJZGBEM-UHFFFAOYSA-N 335.382 4.401 0 1 EIAF C/C(=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CC1 586986846 FQCRBKUSOGKYPE-BENRWUELSA-N 342.398 4.265 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(Cl)ncc3c1)O2 587380016 NXTCTLZGFOTYOW-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(C)C)cc1O)O2 587402458 XYZLMYWQZKJMKB-IBGZPJMESA-N 341.407 4.024 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(Br)c1)O2 587410182 LXDIQKYDWBVOOT-GFCCVEGCSA-N 338.226 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN(CC)CC)CC2=O 587470622 UTDPYPZMGAAYIK-GOSISDBHSA-N 333.472 4.047 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cccnc1)CC2=O 587488787 JXSPCGIXWPPUBJ-FQEVSTJZSA-N 325.408 4.401 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587829323 QEHYWMJMQAOZHB-XXFAHNHDSA-N 338.220 4.367 0 1 EIAF Cc1c(Br)ccc2[nH]c(C(=O)CCc3ccccc3)nc12 587952917 BUGIGWHDQNYFSY-UHFFFAOYSA-N 343.224 4.449 0 1 EIAF Cc1nc([C@@H]2c3ccsc3CCN2Cc2cccn2C)ccc1F 962377371 WNOQOCJTEYJENT-IBGZPJMESA-N 341.455 4.077 0 1 EIAF C[C@]1(c2cnn3ccccc23)NCCc2cccc(-c3ccccc3)c21 962672182 XTTZFOSRORYRHT-HSZRJFAPSA-N 339.442 4.411 0 1 EIAF Cc1ccc(-c2ccc([C@H]3NCCc4nc5ccccn5c43)o2)cc1 962981906 HFLUFYYAJDBRJE-HXUWFJFHSA-N 329.403 4.138 0 1 EIAF Fc1c(Cl)ccc(Cl)c1[C@H]1NCCc2nc3ccccn3c21 962982622 IXNRKEDETHCTCY-OAHLLOKOSA-N 336.197 4.015 0 1 EIAF COc1ccc(C(=O)Cn2ccc3c4ccccc4nc-3c2)cc1OC 1772574008 WNGDAPJWOIPDTO-UHFFFAOYSA-N 346.386 4.041 0 1 EIAF N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12 1857570993 PKDHYNQEKYNGQR-UHFFFAOYSA-N 325.721 4.169 0 1 EIAF COc1ccc(C=Cc2cc(O)c(CC=C(C)C)c(O)c2)cc1O 2356630007 XUIFLXBXMGEYCQ-UHFFFAOYSA-N 326.392 4.491 0 1 EIAF COC(=O)/C=C(OC)\C(C)=C(/C=C/c1cccc2ccccc12)OC 26674189 RXQAGWOXXXDADI-HTHTWCDQSA-N 338.403 4.477 0 1 EIAF Cc1cccc(CN2CCC(CCCC(=O)c3ncco3)CC2)c1 29126680 WPGBAEILBSNGLP-UHFFFAOYSA-N 326.440 4.248 0 1 EIAF CN(Cc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)O)nc1 29209588 GAUVJAUESRMBFX-UHFFFAOYSA-N 334.375 4.209 0 1 EIAF CN(CCCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1 42921056 HQVJIKGTINCUNT-UHFFFAOYSA-N 344.842 4.160 0 1 EIAF CC[C@H](CO)Nc1nccnc1-c1ccccc1Oc1ccccc1 45387943 FPFXAZCDIXTUDL-OAHLLOKOSA-N 335.407 4.119 0 1 EIAF CC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1 66104795 SPDULAIJUXWFCT-UHFFFAOYSA-N 325.318 4.047 0 1 EIAF Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CCNC1 66112228 PDVOMSJUMYNNBT-SNVBAGLBSA-N 325.742 4.151 0 1 EIAF COc1ccc(COc2ccc([C@@H](C3CC3)n3ccnc3)cc2)cc1 96938223 FONUEEWXDMQRLH-OAQYLSRUSA-N 334.419 4.470 0 1 EIAF C[C@H]1Sc2ccc(Cl)cc2C(O)=C1C(=O)Nc1ccccn1 100055722 SYAZNPMNIKVROG-SECBINFHSA-N 332.812 4.137 0 1 EIAF Brc1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587037877 ZUDMNGZZOWZTTA-LBPRGKRZSA-N 349.253 4.243 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587041873 HELJSQFKVLRAQE-OAHLLOKOSA-N 345.512 4.481 0 1 EIAF FC(F)(F)c1ncc2nc(-c3ccc4cc(Cl)ncc4c3)nc-2[nH]1 587085183 OVMYTBUCMPQZBV-UHFFFAOYSA-N 349.703 4.192 0 1 EIAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587210519 DBUXFLPHODOHPG-GFCCVEGCSA-N 326.440 4.482 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2SC[C@@H]1C 587412850 CXPCFXMEEGJQPO-BUXKBTBVSA-N 325.433 4.180 0 1 EIAF CCOc1cccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 587440170 ZRGFZZBRCPYFGE-LRTDBIEQSA-N 349.386 4.064 0 1 EIAF Cc1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 587565628 NXJXFFSIEHEDCY-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587610752 RJVZDCKBUODVHD-RXVVDRJESA-N 348.354 4.109 0 1 EIAF COc1ccc(-c2nnc(-c3ccc4nc(CC5CC5)[nH]c4c3)o2)cc1 587960248 WOKGORPKMIHWSE-UHFFFAOYSA-N 346.390 4.241 0 1 EIAF COc1cccc(-c2cc3c(NCc4ccccn4)nccc3[nH]2)c1 618012520 MBAYWNSFQQMLGW-UHFFFAOYSA-N 330.391 4.246 0 1 EIAF CCCCC[C@@]1(CC2OCCO2)c2c(F)cccc2C[C@H]2CCCN21 963096716 GELVCWZMVXLCJL-DYESRHJHSA-N 347.474 4.385 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CCOC1=O 2356611327 SIFADWAWFOYYKC-QMHYAUOFSA-N 346.467 4.202 0 1 EIAF CCc1ccc(O[C@]2(C)CCN(CCOc3ccc(C)cc3)C2)cc1 61897722 JWDHAYRJQCUWFF-JOCHJYFZSA-N 339.479 4.480 0 3 EIAF c1ccc2c(c1)c1c(n2CCOCCCN2CCCCC2)CCCC1 1856467 LCLDMRYPYSSXSY-UHFFFAOYSA-N 340.511 4.413 0 1 EIAF CC[C@H](C)NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 6950135 JEENTBYYHNLEFP-AWEZNQCLSA-N 335.403 4.297 0 1 EIAF CC(C)CCCCCC[C@H](O)CC(=O)N1CCC[C@H]1c1cccnc1 14684446 OLIIDXSQKLXOMR-PMACEKPBSA-N 346.515 4.493 0 1 EIAF biogenic C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 33953157 LKAJKIOFIWVMDJ-DGWDJNBYSA-N 328.500 4.118 0 1 EIAF Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1 72114433 SOSAAAUSVCKKRE-QZTJIDSGSA-N 335.278 4.425 0 1 EIAF Cn1c2ccccc2c2cc([C@@H]3CC(c4ccccn4)=NN3)ccc21 84687376 NDZXNAWXLSIFOR-SFHVURJKSA-N 326.403 4.165 0 1 EIAF COc1cc2c3c(nccc3c1Br)-c1ccccc1C2=O 95594797 DGBALRIWWANUEK-UHFFFAOYSA-N 340.176 4.217 0 1 EIAF CC(C)CCC(=O)c1c(O)cc(CC(=O)c2ccccc2)cc1O 96929672 YOVMSZPVKKGQID-UHFFFAOYSA-N 326.392 4.142 0 1 EIAF O=C(O)CCC/C=C/C[C@H]1[C@H]2CO[C@@H](C2)[C@@H]1COCc1ccccc1 100756649 NSSQPXZFZSRNSJ-AKEGFQBXSA-N 344.451 4.056 0 1 EIAF CCc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1 169352725 DJDQTCZAFYTKNQ-UHFFFAOYSA-N 329.407 4.430 0 1 EIAF O=C(O[C@H](c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccccc1 206914520 XXXHDRXZALCTPU-MRXNPFEDSA-N 336.218 4.111 0 1 EIAF O=C(O)CCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCCCO 263614130 AEHUQHOABRTKBQ-LQKZSZFTSA-N 336.472 4.160 0 1 EIAF in-vitro CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)cc(OC)c3[nH]2)s1 587014391 KUQWNVKVETYAHY-SNVBAGLBSA-N 347.440 4.110 0 1 EIAF COc1cccc(-c2ccc(-c3nc4cncnc4[nH]3)c(Cl)c2)c1 587052300 NBHCOKNPMGPYNJ-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF FC1(F)Oc2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc2O1 587084775 SRAGDFFYDHXLHA-UHFFFAOYSA-N 349.724 4.013 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087995 QUPNPVNYGWIDJA-OAHLLOKOSA-N 325.759 4.088 0 1 EIAF CSc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587125949 HTUKYXZNJAXFAW-UHFFFAOYSA-N 330.375 4.225 0 1 EIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc(F)cc3[nH]2)cc1 587158086 IRDJYKXUWHYWDD-UHFFFAOYSA-N 335.313 4.383 0 1 EIAF COc1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2n1 587241292 YWFGJDCRFZTXCH-UHFFFAOYSA-N 346.390 4.386 0 1 EIAF CCC(=O)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349500 CDRYKSLHQFEJTD-AZUAARDMSA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cc(C)ccc1C)O2 587397492 WJUCNIFWGCFPEM-IBGZPJMESA-N 347.418 4.291 0 1 EIAF CCCc1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399098 IOZCTQGIZGLRFD-LJQANCHMSA-N 325.408 4.245 0 1 EIAF CC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427146 GZXPECOHYKWCNQ-BEFAXECRSA-N 330.330 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O)c1F)CC2=O 587465399 DBWNNOMSQSJAMT-LJQANCHMSA-N 330.355 4.070 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(C(C)C)CC2=O 587482590 CHRVNLXNDOKPEQ-HXUWFJFHSA-N 325.408 4.256 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1scnc1C1CC1)CC2=O 587493677 FXLIEDGPLGXIAU-OAHLLOKOSA-N 329.421 4.385 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1 587862402 MQKVMVYCEWPYLX-UHFFFAOYSA-N 346.308 4.266 0 1 EIAF CCCn1cc([C@@]2(C)c3ccsc3CCN2Cc2ccco2)cn1 962711672 ULRFGHSJWQBVPZ-IBGZPJMESA-N 341.480 4.269 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cnn(Cc2ccccc2)c1 963107745 SOIDFVLHFNQYJR-IFMALSPDSA-N 347.437 4.180 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cn(C)nc1-c1ccncc1 963229743 PAIFNXPWGXCJNK-KSFYIVLOSA-N 346.478 4.228 0 1 EIAF O=C(Nc1cc(F)cc(F)c1)c1cc(O)nc2cc(Cl)ccc12 1857641051 HSZACKMHMOFFEA-UHFFFAOYSA-N 334.709 4.124 0 1 EIAF C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H]3[C@@]4(C)CCC[C@@]23COC4=O)C[C@@]1(C)O 2356333780 VVKQWVWKEMJKNY-QOWBRBCBSA-N 334.500 4.323 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O 2356404934 BDKARMILWOSVNF-HZUKRISKSA-N 346.467 4.209 0 1 EIAF O=C(C=Cc1c[nH]c2c(O)cccc12)NC=Cc1c[nH]c2ccccc12 2356425441 NAQAXMIVPGGWLA-UHFFFAOYSA-N 343.386 4.155 0 1 EIAF CCC(=O)N(c1ccccc1)[C@@H]1CCN2CCc3ccccc3[C@H]2C1 3643479 INISVGFBGYOYGS-TZIWHRDSSA-N 334.463 4.191 0 1 EIAF COc1ccc(C(=O)CCc2ccc(O)cc2)c2c1CCC(C)(C)O2 13435101 IEHRHIGNMFNUPW-UHFFFAOYSA-N 340.419 4.320 0 1 EIAF biogenic CCCC[C@@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801089 RPGHZIYTMMZENP-LJQANCHMSA-N 327.468 4.377 0 1 EIAF Clc1ccc(Nc2nnc(Cc3ccncc3)c3cccnc23)cc1 13808845 PAIOGTBZFHOIGA-UHFFFAOYSA-N 347.809 4.408 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26394139 YUEVEZWXYBGVTF-RRPHXOACSA-N 345.527 4.301 0 1 EIAF c1ccc2c(c1)Sc1ccccc1N2CCCCN1CCOCC1 26656404 IUFBFTRJHCIXLV-UHFFFAOYSA-N 340.492 4.402 0 1 EIAF c1ccc2c(CNCCCCNCc3c[nH]c4ccccc34)c[nH]c2c1 28255957 JGMIQSWMEOLVBB-UHFFFAOYSA-N 346.478 4.309 0 1 EIAF Cc1ccc(-c2ncc[nH]2)cc1-c1ccc(C(=O)NCC2CC2)cc1 29130832 GUBQMVZGYLUUSM-UHFFFAOYSA-N 331.419 4.192 0 1 EIAF CC(=O)Nc1ccc(Oc2ccc(NC(=O)c3cccnc3)cc2)cc1 34512856 AIQNWGQXQDLBFT-UHFFFAOYSA-N 347.374 4.085 0 1 EIAF COc1cc2ncnc(N3CCC[C@@H](c4ccccc4)C3)c2cc1OC 35813676 QQBQKXDOFNGQJS-MRXNPFEDSA-N 349.434 4.031 0 1 EIAF c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49033633 MSSYXOZHEIUOHK-CQSZACIVSA-N 333.416 4.405 0 1 EIAF C[C@@H]1CCN(c2cccnc2C2CN(c3ccc4ccccc4n3)C2)C1 139775523 SDNKIARBFISGCI-MRXNPFEDSA-N 344.462 4.080 0 1 EIAF COc1cc2c(cc1-c1c(C)noc1C)C(C)(C)C(=O)C(C)(C)N2 473122155 IRRAQZJOCXAZHM-UHFFFAOYSA-N 328.412 4.018 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586894017 XLKNTZLTBSIBHC-BCTVWOGZSA-N 338.304 4.265 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(F)c(C)c2[nH]1 586916936 PSISELAKIUBXFQ-VBKZILBWSA-N 338.382 4.227 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 587008495 XCLMVXUXMTUEAO-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2cc(C)cc(F)c2[nH]1 587229337 VOJWAMMWOMJPFA-UHFFFAOYSA-N 327.403 4.372 0 1 EIAF CCOc1ccc([C@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401036 ULKNWUAXWXAQJM-FQEVSTJZSA-N 325.408 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4cc5ccccc5cc41)[C@@H](C2)C3=O 587447250 OLOKKMNYLYRLBW-CVDCTZTESA-N 342.394 4.438 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(C)(C)C)CC2=O 587476882 BIKGUIHJQGXNGT-HXUWFJFHSA-N 348.439 4.048 0 1 EIAF C[C@]1(c2cccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503126 WWPDWHJGRLDUJR-LJQANCHMSA-N 327.811 4.494 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C 587574916 CRWCZQYUSZUJON-WIYYLYMNSA-N 349.386 4.050 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1 587600354 AXPNYODEZORJPC-ICSRJNTNSA-N 346.382 4.355 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587786553 RPJRTSQDKWRJGY-HOTGVXAUSA-N 343.386 4.055 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C)nc1 587862921 LLBGORDFRZYZPS-UHFFFAOYSA-N 333.313 4.270 0 1 EIAF COc1ccc(/C=C\Cc2nc3cc(F)c(F)cc3[nH]2)c(OC)c1 587928455 DBJLKKAISKQXIN-ARJAWSKDSA-N 330.334 4.114 0 1 EIAF COc1cc(C=CCOC(=O)CC(C)C)ccc1OC(=O)CC(C)C 2356625656 UUFSKGRWZUFEKE-UHFFFAOYSA-N 348.439 4.249 0 1 EIAF CC1=C(CCN2CCN(C3CCCC3)[C@@H](CCO)C2)C(C)(C)CCC1 19222542 CPLZIACUIYGDOJ-FQEVSTJZSA-N 348.575 4.214 0 3 EIAF Cc1cc2c(cc1C)N(Cc1ccc(F)cc1)/C(=C1\C=CC=NC1=O)N2 104021335 DTRYQTDMHMOAMP-LVZFUZTISA-N 347.393 4.253 0 3 EIAF N=C(N)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 9048 ZHCAYBOLUMAUQX-UHFFFAOYSA-N 346.390 4.407 0 1 EIAF in-vivo CNc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)n1 13798205 QMCGWRVMZPNHKW-UHFFFAOYSA-N 327.391 4.242 0 1 EIAF CCN(CC)C(=O)Cc1ccccc1Oc1c(N)cccc1Cl 26399515 MQVZACZBEOGMRQ-UHFFFAOYSA-N 332.831 4.125 0 1 EIAF Cc1cnc(NC(=O)C2=C(O)c3cc(Cl)ccc3SC2)s1 28118312 KBHYWSUFMDLPOF-UHFFFAOYSA-N 338.841 4.118 0 1 EIAF NC(=O)c1ccccc1[C@H]1CCCO[C@H](c2ccc(Cl)cc2)OC1 28877669 FECNTXCXAWHSPA-LIRRHRJNSA-N 345.826 4.048 0 1 EIAF CC(=O)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 29037446 XZWVTNIZNLGGEW-HNAYVOBHSA-N 342.826 4.292 0 1 EIAF CC(C)C(=O)c1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 29044175 VXTOSDRVRFHLPH-UHFFFAOYSA-N 348.811 4.277 0 1 EIAF COc1ccc(Cn2c3c(c4cccc(C(=O)O)c42)CCCC3)cc1 40827650 UPIRQMWBRGVRHH-UHFFFAOYSA-N 335.403 4.275 0 1 EIAF Fc1ccc(F)c(CNc2cc(Oc3ccccc3F)ncn2)c1 82067555 DFZYVKBMOBESQR-UHFFFAOYSA-N 331.297 4.298 0 1 EIAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 82132819 YZYBHECDGTXOGU-HNNXBMFYSA-N 340.471 4.082 0 1 EIAF CSc1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 96168063 XAPMRFDQGBDNBF-UHFFFAOYSA-N 348.431 4.493 0 1 EIAF O=C1O/C(=C\c2ccc(OCc3ccccn3)cc2)C(Cl)=C1Cl 103229236 JNMWXEAYOCCTNX-ZROIWOOFSA-N 348.185 4.248 0 1 EIAF Cc1cccc(-n2nc3c(c2-c2cc4ccncc4s2)CCC3)n1 117766251 UVJODQMWHIJIMO-UHFFFAOYSA-N 332.432 4.341 0 1 EIAF O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCC1 218414793 KCEPWWJSNUOSFO-UHFFFAOYSA-N 344.798 4.136 0 1 EIAF COc1cccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1 225184431 MNQAQEWBDCIKLO-UHFFFAOYSA-N 338.451 4.409 0 1 EIAF COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)cc1O 238782900 OLMIQOIPLQDJFU-KGLIPLIRSA-N 328.408 4.187 0 1 EIAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3C)c2n1 473151845 RPEPXCFTCXNMKD-UHFFFAOYSA-N 329.407 4.020 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 587079055 FXVVRHZBJWKAIV-SSDOTTSWSA-N 343.740 4.465 0 1 EIAF Cc1c(Cl)ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587158288 WDRUSQNVOZWHQA-SFHVURJKSA-N 343.789 4.455 0 1 EIAF CSc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173805 JQBRVZMKHLHCBG-SFHVURJKSA-N 342.395 4.052 0 1 EIAF CN(C(=O)OC(C)(C)C)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214176 WUBRYIHSLIAKRS-CQSZACIVSA-N 338.451 4.058 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1N)CC2=O 587463764 ZBGWYCUHQDRPGS-QGZVFWFLSA-N 331.799 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](C[C@@H](C)C(=O)OC(C)(C)C)CC2=O 587482796 JLCMCSICGAOJFG-OLZOCXBDSA-N 348.439 4.046 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC1CCCCC1)(C(=O)O)CC2=O 587490344 RMLGIFFEKMPCRQ-FQEVSTJZSA-N 346.423 4.104 0 1 EIAF C[C@@]1(c2oc3cccnc3c2N)CC(=O)c2ccc3c(c2O1)CCCC3 587508869 FSUVABADQOAHJA-NRFANRHFSA-N 348.402 4.169 0 1 EIAF O=C1C[C@@H](c2ccc(F)c(O)c2F)Oc2c1ccc1c2CCCC1 587509893 YCNZMXBDPAIMCR-INIZCTEOSA-N 330.330 4.256 0 1 EIAF O=C1C[C@@H]([C@@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 587535906 PCYARWSMPQCKQK-GMAHTHKFSA-N 348.442 4.258 0 1 EIAF CC/C(C)=C(/N)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587622844 HYYNSHHEXOBPEZ-VGOFMYFVSA-N 333.233 4.215 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587772980 PVTADZMXZPLIGK-BTDLBPIBSA-N 349.247 4.169 0 1 EIAF COC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587812403 QORUCOIFYADCIB-ZUZCIYMTSA-N 342.252 4.123 0 1 EIAF Cc1nn2c(=O)cc(-c3ccc4[nH]ccc4c3)[nH]c2c1-c1ccccc1 653680398 QYEBIMCKWNAHOJ-UHFFFAOYSA-N 340.386 4.146 0 1 EIAF COc1ccc(-c2cnc3cnc(-c4ccccc4N(C)C)cn23)cc1 1857599470 HCMWQCUYWZEUSA-UHFFFAOYSA-N 344.418 4.138 0 1 EIAF CCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27561447 IALGVABNIXIPEW-CFVMTHIKSA-N 332.465 4.448 0 1 EIAF Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)cnc3[nH]c2=O)on1 29126442 BYBZEZJUTDVCPK-UHFFFAOYSA-N 337.766 4.207 0 1 EIAF C[C@@H]1CN(C(=S)NC2CCCCCCC2)N=C1c1ccccc1 40861387 DRQSVNBGQQNYBK-OAHLLOKOSA-N 329.513 4.330 0 1 EIAF Nc1nccc2cc(CNCCc3ccc(Cl)c(Cl)c3)ccc12 66100853 BIJYCMAPFSDOCZ-UHFFFAOYSA-N 346.261 4.456 0 1 EIAF Oc1ccccc1-c1nc2cnc3cc(Br)ccc3c2[nH]1 82158275 QRIYBCJOUTZTKR-UHFFFAOYSA-N 340.180 4.246 0 1 EIAF Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl 89465215 PPEMPAPSRLGSIO-DOTOQJQBSA-N 338.234 4.102 0 1 EIAF Cc1c(OCCN2CCCC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271278 GFPKLZJTGXCXCI-UHFFFAOYSA-N 349.430 4.243 0 1 EIAF C[C@H]1CCC(=O)N1c1ccc(C(=O)Nc2cccc3cccnc23)cc1 96909097 XVMSHPLDAJVXDO-AWEZNQCLSA-N 345.402 4.002 0 1 EIAF FC(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12 114880350 OZZHJNXIYBSROR-UHFFFAOYSA-N 329.228 4.233 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(O)cc3Cl)nc2c1 587056106 YXQKHDDUALRLJW-UHFFFAOYSA-N 337.162 4.029 0 1 EIAF O=C(O)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587061808 ZLJLPSQDJVFYSG-UHFFFAOYSA-N 339.738 4.237 0 1 EIAF Fc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1Cl 587123084 HRSSNPBTCKBDIN-UHFFFAOYSA-N 327.693 4.061 0 1 EIAF CC(C)Oc1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166943 KNCZKHWAMAPLIW-MDZDMXLPSA-N 339.370 4.141 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174363 IHBKLWBAJDZHOE-UHFFFAOYSA-N 347.708 4.341 0 1 EIAF C[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359455 YQJQDRKINOQXFQ-QUCCMNQESA-N 338.334 4.399 0 1 EIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O 587375790 PBQDMFMNXXHKQR-OAHLLOKOSA-N 347.798 4.041 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccnc3)cc1)O2 587394089 CKDAJTKBBQRVLJ-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc([C@@H](C)OC)cc1)[C@@H](C2)C3=O 587438392 FJOBIIOHBTVXGI-CNBXIYLPSA-N 338.403 4.065 0 1 EIAF COc1cc(C)ccc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 587563329 BYZLPLMUNOXOLL-UHFFFAOYSA-N 338.194 4.161 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C 587617671 QIGSILQKRJSPGO-XLIONFOSSA-N 336.343 4.305 0 1 EIAF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638048 IMYUHLWPDGRDAV-SECBINFHSA-N 343.766 4.375 0 1 EIAF Cc1cccnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587774518 WCRGXEIPOQMWIN-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF O=C(O)c1ccc2oc(C(=O)c3cccc(C(F)(F)F)c3)cc2c1 957624694 IKEISFLOEDWBHF-UHFFFAOYSA-N 334.249 4.381 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCCCCC(=O)O)N1 962950451 NFUAVQJWIUTXQE-VBKZILBWSA-N 328.456 4.343 0 1 EIAF COC1(C[C@]2(C)c3ccsc3CCN2Cc2cccnc2)CCC1 962995956 NTWIYHQIFYLUCU-LJQANCHMSA-N 342.508 4.376 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CC(=O)C(F)(F)Cl 963242503 QIFQLBWUZQUZEY-LRDDRELGSA-N 329.818 4.349 0 1 EIAF Oc1ccc2c(c1)[C@@](CC(F)(F)F)(c1cc(F)ccc1F)NCC2 963353467 RPKUSISOWKBBRU-INIZCTEOSA-N 343.295 4.012 0 1 EIAF Cc1cnc([C@H](CC(=O)O)c2cccc(-c3ccncc3F)c2)s1 1772599084 KXBNXILRSRNRBB-OAHLLOKOSA-N 342.395 4.259 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 2356489266 QSXNOUPYXMWUKT-LTOYHIGVSA-N 332.440 4.108 0 1 EIAF CC(C)=CCCC(=CCOc1cc(=O)oc2cccc(C)c12)CO 2356680396 HUMPYOCQOJFKOK-UHFFFAOYSA-N 328.408 4.145 0 1 EIAF CCc1c(-c2cccc(OC)c2)ncn1CCc1ccccc1OC 198627650 DISYIZQRKKWHOR-UHFFFAOYSA-N 336.435 4.372 0 3 EIAF CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1CO 13215369 MJYYHAFJMFJSDR-ABKXIKBNSA-N 343.254 4.282 0 1 EIAF CCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OCC 13528690 VIZJVXABYUPLHN-UHFFFAOYSA-N 327.359 4.310 0 1 EIAF Cc1ccc(CC2CCN(Cc3nc4ccc(O)cc4[nH]3)CC2)cc1 13560457 ZWNYMQUDJJSSIS-UHFFFAOYSA-N 335.451 4.032 0 1 EIAF Cc1csc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c1 27899583 NDUHPGCHMWEGKL-UHFFFAOYSA-N 343.448 4.265 0 1 EIAF CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@H]1N(C)C 28238680 VNZSGKMAKZYOGZ-CABCVRRESA-N 329.271 4.219 0 1 EIAF O=C(Nc1ccc(N2CCCC2)cc1)Nc1ccnc2ccccc12 29558640 UYOATQDUJFPHBQ-UHFFFAOYSA-N 332.407 4.479 0 1 EIAF C[C@@H](c1cc2ccccc2s1)N(OCc1ccccc1)C(N)=O 29566855 NFMNUIGRWDTNSQ-ZDUSSCGKSA-N 326.421 4.475 0 1 EIAF COc1cc(/C=C\Cc2cc(O)c3ccoc3c2)cc(OC)c1OC 36311018 MAAOZQJDAZSONY-XQRVVYSFSA-N 340.375 4.420 0 1 EIAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CCCC(C)(C)[C@@H]1C2 40403744 TXBJAQRFHBPTNC-MGPUTAFESA-N 332.440 4.456 0 1 EIAF biogenic COc1cc(OC)cc(C(=O)c2csc(-c3ccccc3)n2)c1 40915275 KMLBRQRREBMUKN-UHFFFAOYSA-N 325.389 4.058 0 1 EIAF CCN(CC)CCC[C@H](C)NCc1coc(-c2ccc(F)cc2)n1 72103117 TYTDAENDAGPTJX-HNNXBMFYSA-N 333.451 4.081 0 1 EIAF C[C@]12CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1CCc1ccccc12 117625361 HUSCPUJQXVMQFO-IFMALSPDSA-N 345.446 4.072 0 1 EIAF c1ccc(Nc2ccc(Oc3nccnc3N3CCCC3)cc2)nc1 139066003 CMQJIEOYOVEUAB-UHFFFAOYSA-N 333.395 4.008 0 1 EIAF CCC[C@@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 299858255 DMYHTEDCSOYDOU-LJQANCHMSA-N 335.403 4.044 0 1 EIAF Fc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)CN3)[nH]2)cc1 473119756 BMHAOFYWKWENPC-QGZVFWFLSA-N 332.382 4.084 0 1 EIAF Cc1ccc2c3c(cc(-c4ncccc4N)nc13)-c1ccccc1C2=O 586995549 IDAUEDJAQANIRN-UHFFFAOYSA-N 337.382 4.399 0 1 EIAF Clc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2nc1Cl 587036483 COPWYXOSFGTVBL-JTQLQIEISA-N 340.235 4.183 0 1 EIAF Cc1ccc2c3c(cc(-c4ccn(C)n4)nc13)-c1ccccc1C2=O 587097650 OZBOIOITNCMKLA-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF Nc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1N 587144888 FPCZOGOOBMCUJP-UHFFFAOYSA-N 332.382 4.124 0 1 EIAF Cc1ccc2c(ccc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c32)n1 587164384 ULQKMFLBXVLYHI-IBGZPJMESA-N 334.398 4.210 0 1 EIAF COC(=O)c1cccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174367 IKPWJYUYDWWGIR-UHFFFAOYSA-N 343.745 4.290 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174904 NTZMAOZUIICNPU-HNNXBMFYSA-N 343.749 4.227 0 1 EIAF CCc1ccccc1NC(=O)c1nc2cc(Cl)c(OC)cc2[nH]1 587241287 SIHGCBPSXYEQKO-UHFFFAOYSA-N 329.787 4.040 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)oc3ccc(O)cc13)O2 587407078 ABSVVRYVIJDOAJ-FQEVSTJZSA-N 337.375 4.218 0 1 EIAF COc1ccc(-c2[nH]c3cccc(F)c3c2CN(C)C)cc1OC 587634706 BTFHATIBMXTCQG-UHFFFAOYSA-N 328.387 4.053 0 1 EIAF COc1cccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587930543 HQSPZJODRHJPNQ-UHFFFAOYSA-N 336.313 4.255 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4ncc(C)cc4[nH]3)cc2)c1 587930979 LDHAPBHKDWAXAU-UHFFFAOYSA-N 343.386 4.173 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)cc1 587936025 PRJBDABCGAJNAZ-UHFFFAOYSA-N 330.391 4.070 0 1 EIAF Cc1cc2c(n1-c1ccnc(Br)c1)CC(C)(C)CC2=O 587939821 JRBBMUSIMSVHQE-UHFFFAOYSA-N 333.229 4.098 0 1 EIAF CONCCCCCCN1c2ccccc2Sc2cccnc21 653716962 DEKITJMQIIOWLZ-UHFFFAOYSA-N 329.469 4.396 0 1 EIAF Oc1ccc2c(c1)CC[C@@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963108393 NZAHGHRCSAOQQQ-SFHVURJKSA-N 334.246 4.229 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12COCc1cc(OC)ccc12 963230714 ACNGQMAGJQQJOE-KSFYIVLOSA-N 337.463 4.126 0 1 EIAF COc1cccc(C(=O)[C@H]2S[C@@H]2c2ccc(Br)cc2)c1 1772657809 JBAUESNVBKLLNJ-HZPDHXFCSA-N 349.249 4.497 0 1 EIAF Cc1c(O)cc2c3c1[C@H](C)[C@H](C)O[C@H]3C[C@@H](c1ccc(O)cc1)O2 2356718662 BXIIDDHHSRQLLO-ZTKNCTOKSA-N 326.392 4.493 0 1 EIAF O=C(c1ccc(Nc2cccc(C(F)(F)F)c2)nc1)N1CCCC1 1340961 XBNBJBQXIVXSFJ-UHFFFAOYSA-N 335.329 4.080 0 3 EIAF CN1[C@H]2CC[C@@H]1CC(Oc1nc(-c3ccccc3)nc3ccccc13)C2 13445624 GPNLLUUEZVTWAA-JWTNVVGKSA-N 345.446 4.301 0 1 EIAF CCC(=O)N(c1ccccc1)[C@H]1CCCN(Cc2ccccc2)CC1 27999628 CMGQCTURNHRUBC-NRFANRHFSA-N 336.479 4.484 0 1 EIAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CCCC(C)(C)[C@@H]1C2 40403747 TXBJAQRFHBPTNC-YWZLYKJASA-N 332.440 4.456 0 1 EIAF biogenic CC(C)(Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1 71333619 PQQCLWDFTVBTBZ-UHFFFAOYSA-N 348.237 4.316 0 1 EIAF Cn1c(C(=O)Nc2cc3c4ccccc4nc-3c[nH]2)cc2ccccc21 100986471 NPCSZXQVECDWLA-UHFFFAOYSA-N 340.386 4.412 0 1 EIAF CCCCOc1cc2nnnc(Nc3ccc(F)cc3)c2cc1OC 103295899 BZYLSMGBCGBCAM-UHFFFAOYSA-N 342.374 4.095 0 1 EIAF C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1 142463575 BAJAWQMEVZMBNZ-JTQLQIEISA-N 341.213 4.249 0 1 EIAF CC(C)(C)[C@@]1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1 144354308 YMJVEUCXLZNFQU-OAQYLSRUSA-N 334.419 4.243 0 1 EIAF CO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]34COC(=O)C3=CCC[C@@H]42)CO1 238769351 AHCLMOYDFNPXEO-URHBSNRWSA-N 348.483 4.091 0 1 EIAF CCCCC[C@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)SC 299853899 RQILNTUMDLZRIQ-JKSUJKDBSA-N 326.502 4.396 0 1 EIAF Oc1ccc(-c2cnn(-c3ccccc3-c3ccc(O)cc3)n2)cc1 473117368 YYCMMLUOMFMWGW-UHFFFAOYSA-N 329.359 4.013 0 1 EIAF Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)o1 586905130 HGWGRRCJPMTIJL-UHFFFAOYSA-N 345.358 4.129 0 1 EIAF O=C1O/C(=C/c2nc3cccc(C(F)(F)F)c3[nH]2)c2ccccc21 586906737 PGFHGQIQGMPBAV-MDWZMJQESA-N 330.265 4.250 0 1 EIAF COc1ccc2nc(-c3nc4c(Cl)ncc(F)c4[nH]3)sc2c1 587035964 YARKIURCWCHBDU-UHFFFAOYSA-N 334.763 4.036 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085262 PDQGSZPRMUFGEW-INIZCTEOSA-N 337.770 4.155 0 1 EIAF Cc1ccc2c3c(cc(CC(=O)OC(C)C)nc13)-c1ccccc1C2=O 587097069 OFBFFSNMUOAUDG-UHFFFAOYSA-N 345.398 4.249 0 1 EIAF CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357095 SNSVULHNHKHFSK-AZUAARDMSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(Cl)nccc3c1)O2 587380502 VNJWMKYSYZRBQH-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF CCOc1ccc(CC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401722 XFECYTLOMPAOOF-LJQANCHMSA-N 325.408 4.245 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3)cs1)O2 587411277 CKSYGIOOTMLJHP-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O 587422945 HEQVSIMLGIHBDX-BBATYDOGSA-N 332.758 4.285 0 1 EIAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587443096 TWMIVMORDZNOGC-IIBYNOLFSA-N 338.403 4.281 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(C1CCC1)[C@@H](C2)C3=O 587446010 RDUJIKZCRYWXMQ-AVRDEDQJSA-N 334.415 4.447 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1N)CC2=O 587463763 ZBGWYCUHQDRPGS-KRWDZBQOSA-N 331.799 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(C)cc31)CC2=O 587494175 XQAXDWMVANUYGA-NRFANRHFSA-N 336.387 4.420 0 1 EIAF O=C1C[C@H](c2c[nH]nc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587504652 FRPAZLGDJQVPFO-CQSZACIVSA-N 336.313 4.014 0 1 EIAF CN1CCOc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518367 GTODFVUVDAVFIA-HXUWFJFHSA-N 349.430 4.101 0 1 EIAF Cc1sccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611662 HJXSMPUXAAMELJ-LPHOPBHVSA-N 338.384 4.465 0 1 EIAF CCOc1ccccc1OCc1nc2cc(OC)c(Cl)cc2[nH]1 587779547 AQPZCKXMNWUCME-UHFFFAOYSA-N 332.787 4.203 0 1 EIAF COC(C)(C)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793342 NPGKUOISBRMRJS-QFYYESIMSA-N 344.268 4.153 0 1 EIAF CC(C)C1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587823797 RPBNJSKOJZOFGN-WCVRRQIGSA-N 326.253 4.384 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC1CC1 587865264 ZTXBQFUWZGAWNN-UHFFFAOYSA-N 338.329 4.408 0 1 EIAF COc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1F 587932803 ZPDRUJBFOAAAOC-BLVKFPJESA-N 326.371 4.164 0 1 EIAF C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 653757081 KCLVLUSMFYUPAY-BFAVYNAKSA-N 338.488 4.002 0 1 EIAF CN1CC[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@H]2CCC[C@@H]21 962669775 SNTXTGFIFHWABM-RJGXRXQPSA-N 332.491 4.199 0 1 EIAF Cn1nc(Nc2ccc(Cl)nc2)c2ccc(C(F)(F)F)cc21 1772620797 FWGWFATYVPLLFZ-UHFFFAOYSA-N 326.709 4.384 0 1 EIAF CCCSCCn1c(=N)sc2cc(OC(F)(F)F)ccc21 3778529 VMTHTUZVUZBDGD-UHFFFAOYSA-N 336.404 4.224 0 1 EIAF CCCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1 13456785 HRCUSSCBNKNICF-UHFFFAOYSA-N 330.424 4.286 0 1 EIAF CS(=O)(=O)c1ccc(-c2ccccc2Cc2cccc(F)c2)cc1 13530505 SAUOBUVJAMHRDF-UHFFFAOYSA-N 340.419 4.487 0 1 EIAF O=C(O)c1ccc2c(c1)nc(-c1nccs1)n2C1CCCCC1 13588430 SHEQDBGYWPOKSA-UHFFFAOYSA-N 327.409 4.363 0 1 EIAF CCCC(=O)N1CC[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741119 LELCWPHONZBTEW-INIZCTEOSA-N 331.456 4.133 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC2=O 14774394 YUGJHEXCGCZVTH-QVKFZJNVSA-N 344.451 4.374 0 1 EIAF biogenic O=C(Nc1ccc(Cl)cc1O)Nc1ccccc1Br 28380349 WJRWPWNJOYEARK-UHFFFAOYSA-N 341.592 4.452 0 1 EIAF COc1ccccc1CN[C@@H]1[C@@H]2CCN[C@@]1(c1ccccc1)CC=C2C 29344892 HMCACXWESDLLOQ-YMPZKCBVSA-N 348.490 4.008 0 1 EIAF Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)ncc2Cl)n[nH]1 40391548 LOLXORGETFFIBV-JTQLQIEISA-N 346.797 4.217 0 1 EIAF O=C(Nc1ccccc1OC(F)(F)F)Nc1n[nH]c2ccccc12 40873527 LFHBWBDLAQDCMK-UHFFFAOYSA-N 336.273 4.106 0 1 EIAF COc1ccc2cc([C@@H](C)C(=O)NCCc3ccc(O)cc3)ccc2c1 42923317 GQQPAYMPOFGICH-OAHLLOKOSA-N 349.430 4.016 0 1 EIAF CN(CCc1ccccn1)Cc1coc(-c2ccccc2Cl)n1 72180211 RMDNUKUXRRHUNB-UHFFFAOYSA-N 327.815 4.065 0 1 EIAF CCOc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 116589618 FNINLBQTWPWAGR-INIZCTEOSA-N 341.407 4.321 0 1 EIAF O[C@@H]1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586904281 SOWUIKFAEWVEIL-BXUZGUMPSA-N 336.288 4.290 0 1 EIAF Cc1ncc(-c2nc3cc(Cl)cnc3[nH]2)c(C)c1Br 586979107 QOMKIJHDFRETDS-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF Cc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1F 587007110 MFIHWGQXPUOMLR-UHFFFAOYSA-N 345.175 4.088 0 1 EIAF Cc1cc(Cl)cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052881 RGBATFJSVZYXNC-GFCCVEGCSA-N 336.222 4.126 0 1 EIAF Fc1c(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1F 587126396 XMWGKFIZHVQSCK-UHFFFAOYSA-N 345.683 4.200 0 1 EIAF COc1c(F)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F 587134477 GZLJCTDVSXMABJ-UHFFFAOYSA-N 330.668 4.448 0 1 EIAF Cc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2n1 587138170 YVEQDEYHJRDXPH-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4cccc(F)c4CC[C@H]1C)[C@@H](C2)C3=O 587429621 VVXQCSLTKLPAJP-DBLBYYFGSA-N 338.378 4.060 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC(C)C)CN(C)C)CC2=O 587468239 IZAUTONAYTVDCE-BTYIYWSLSA-N 347.499 4.293 0 1 EIAF CC[C@@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525902 WDFIWAYGIIVWQJ-ZUOKHONESA-N 330.424 4.021 0 1 EIAF CCCCCC[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529591 PVCUPFGJNBJRGI-FQEVSTJZSA-N 330.424 4.324 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587768030 CEYMSHADDMTZTA-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587823895 SGZBECLOEVYXMO-QNNXZPLKSA-N 336.248 4.376 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(CC)c1 587872778 QKKRGABXLJWITJ-UHFFFAOYSA-N 344.411 4.400 0 1 EIAF O=C(c1ccc(-c2cnco2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874179 WKQGGXIMLSGGAS-UHFFFAOYSA-N 347.305 4.138 0 1 EIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc(C(F)(F)F)c4[nH]1)(C3)C2 587969318 LVHHUNINCBPKMY-FYBJUZMNSA-N 334.341 4.229 0 1 EIAF Cc1ccnc2c1CCN[C@H]2c1ccc(Br)c(C)c1C 963070560 OJYJAEICGYPMOH-KRWDZBQOSA-N 331.257 4.004 0 1 EIAF Cc1c(O)cc2c3c1[C@H](C)[C@H](C)O[C@H]3C[C@H](c1ccc(O)cc1)O2 2356718661 BXIIDDHHSRQLLO-UCOJWJJSSA-N 326.392 4.493 0 1 EIAF CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 2499514 VVCINSRJONWLMI-HUUCEWRRSA-N 348.450 4.000 0 1 EIAF CCCOC(=O)N1CC[C@@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741100 CCRLYVKNQFEDJB-MRXNPFEDSA-N 347.455 4.353 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CC[C@H](O)[C@H]2[C@@]1(C)CCc1ccoc1 15162583 FMOMDZQOXKGTDA-OCSHYGNBSA-N 332.440 4.047 0 1 EIAF biogenic CCCCC[C@H](O)c1cccc(OCc2cccc(C(=O)OC)n2)c1 25987340 CUANJPSRKNDYPW-IBGZPJMESA-N 343.423 4.061 0 1 EIAF N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3cc(-c4ccccc4)ccc3[C@@H]21 27430126 WKSJVLIYBIBFFK-SVFBPWRDSA-N 348.446 4.031 0 1 EIAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23CN1C 33753912 KCXUKADVTVDPOM-QLPKIABKSA-N 329.528 4.240 0 1 EIAF biogenic Cc1c2c(c(CCCCCN)c3c1Oc1ccccc1O3)C(=O)OC2 35090783 WAJGSAYZDZKFAC-UHFFFAOYSA-N 339.391 4.235 0 1 EIAF CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N 40848579 KRUPWYZFSGOIME-UHFFFAOYSA-N 336.366 4.314 0 1 EIAF CCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C 72116527 DYQBRXOQGFCHCN-UHFFFAOYSA-N 344.418 4.322 0 1 EIAF in-vitro Cc1csc(NC(=O)c2ccc(COCc3ccccc3)o2)n1 95755660 REXKISXDKUHJSX-UHFFFAOYSA-N 328.393 4.014 0 1 EIAF N=C(Cc1ccc2[nH]cc([C@@H]3CN4CCC3CC4)c2c1)c1ccco1 96177599 KMXOBHRXLQPVOS-GOSISDBHSA-N 333.435 4.181 0 1 EIAF Nc1sc2c(c1C(=O)Nc1nc3ccccc3s1)CCCC2 101520872 LDTRXHMNASNGHP-UHFFFAOYSA-N 329.450 4.071 0 1 EIAF CC[C@H](C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21 101944102 FSLROBKNJCTZIC-HVOFVXBASA-N 328.283 4.286 0 1 EIAF CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2CC[C@](C)(O)C(C)(C)C 169328617 CAIHTALZIAAKPE-IVOMFYJKSA-N 345.527 4.104 0 1 EIAF O=C(c1cc2ccc(F)cc2[nH]1)N(Cc1ccco1)Cc1ccco1 299833073 NSDOFHLFVLYCLS-UHFFFAOYSA-N 338.338 4.336 0 1 EIAF Cc1cc(NCc2ccccn2)n2ncc(-c3c(C)cccc3C)c2n1 473151892 SEBBKVFWPMPJNE-UHFFFAOYSA-N 343.434 4.329 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2cccc(Br)c2[nH]1 586882547 XQAWRMZMTLPYCG-HJWRWDBZSA-N 343.180 4.194 0 1 EIAF Cc1ccc(-n2ccnc2SCc2nc3c(C)nccc3[nH]2)c(C)c1 586967103 WKWYNBXXOQINIA-UHFFFAOYSA-N 349.463 4.361 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2ccnc(Br)c2[nH]1 587012590 PPRVUBNBKDLQOM-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Clc1ccc(-c2nc(-c3nc4cnc(Cl)[nH]c-4n3)cs2)cc1 587015670 GXTLMCYGMLBTLD-UHFFFAOYSA-N 348.218 4.402 0 1 EIAF Cc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201820 WNZVRLKQGLKMSC-UHFFFAOYSA-N 331.460 4.452 0 1 EIAF Cc1cc(Cl)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 587254807 PLOCXNBAZDTSAY-UHFFFAOYSA-N 335.798 4.061 0 1 EIAF O=C(O)c1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587506854 QEJQBLSHVUYRIK-SFHVURJKSA-N 340.350 4.109 0 1 EIAF O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532784 SPWVDADKINSIMJ-AWEZNQCLSA-N 328.389 4.032 0 1 EIAF CC(C)C[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602366 JNKMAUUUQQLLPA-WSXQUGQNSA-N 326.392 4.405 0 1 EIAF O=C(Cc1cccc(Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874081 PLIRGSFSZAZXDI-UHFFFAOYSA-N 328.730 4.331 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587937241 OUEUFMKPELTNJA-ORAYPTAESA-N 340.423 4.196 0 1 EIAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1ccccc1 653803325 WZGRZKXGQKHXTD-NRFANRHFSA-N 329.403 4.175 0 1 EIAF CCOC(=O)c1[nH]cc(Cc2c(F)cc(C(F)(F)F)cc2F)c1C 1911582397 FUVQCTXEUFAAHF-UHFFFAOYSA-N 347.283 4.388 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 2356558325 UVGNAGKHBDTENQ-IDLUEMFASA-N 330.424 4.257 0 1 EIAF C[C@@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)(F)F)cc21 61906228 RXZBQXCNNXMFCW-INIZCTEOSA-N 339.288 4.177 0 3 EIAF Cn1c2c(c3cc(Cl)ccc31)[C@@H](CNC(=O)C1CCC1)CCC2 13777837 PFTKAFXUIIUTHV-CYBMUJFWSA-N 330.859 4.168 0 1 EIAF COc1ccc(CNc2c3c(nc4ccccc24)CCC[C@H]3O)cc1 14946504 GKQCJUSPLSEUKC-LJQANCHMSA-N 334.419 4.225 0 1 EIAF CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](CC1CCCCC1)[C@H]2O 26386871 QRMZWBAOYPUHHL-KBXCAEBGSA-N 332.440 4.061 0 1 EIAF O[C@@]1(c2ccc(Cl)cc2)c2cccc3cccc(c23)C2=NCCCN21 27409597 DLDYQJGHJVNKSI-NRFANRHFSA-N 348.833 4.153 0 1 EIAF CC1(CN2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)CCCCC1 29052708 ZEIHTDYXMHCVGJ-PTNGSMBKSA-N 331.437 4.399 0 1 EIAF Nc1ncnc2c1c(-c1ccc3ccccc3c1)nn2C1CCCC1 64510307 UHEDHNITFXEDER-UHFFFAOYSA-N 329.407 4.344 0 1 EIAF C=Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335252 DQNYJGMBMWJKJV-FQEVSTJZSA-N 332.451 4.282 0 1 EIAF CCN1CC[C@H](c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1 117713400 YRPHNDKDLVXETE-INIZCTEOSA-N 328.843 4.402 0 1 EIAF COc1cccc(-c2cc(-c3ccc(C(=O)O)cc3)c(C)c(O)n2)c1 299869491 UTDRAVLSXNAKDP-UHFFFAOYSA-N 335.359 4.136 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586885927 DNESZFHBHBAEPZ-XPTSAGLGSA-N 336.222 4.410 0 1 EIAF CCCC[C@H](CO)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991677 VJGLLRGUEFZFJC-CYBMUJFWSA-N 347.414 4.418 0 1 EIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587028087 NUGFTBNCNRRGFS-UHFFFAOYSA-N 349.341 4.404 0 1 EIAF COC(=O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106069 DPTKULHKLIALID-GFCCVEGCSA-N 343.382 4.039 0 1 EIAF FC(F)(F)c1cccnc1-c1nc2ccc(Br)cc2[nH]1 587109578 ZFSVZPKICGXZFK-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4nccs4)c1)[C@@H](C2)C3=O 587453370 QHXHMAXWZQBDHL-HNAYVOBHSA-N 349.411 4.307 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)cc1)[C@@H](C2)C3=O 587454318 YDYLEDSQZPNDGR-HNAYVOBHSA-N 326.417 4.080 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1cc4ccccc4o1)(C1CC1)[C@@H](C2)C3=O 587455666 PGYNOMNIBRZBPV-AOMKIAJQSA-N 346.382 4.494 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cc(C)cc(C)c1)CC2=O 587479197 BYPGSGJXYHDMGU-LJQANCHMSA-N 338.403 4.178 0 1 EIAF C[C@@H](N(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502891 GABJECVFROOLDE-WAIKUNEKSA-N 349.474 4.376 0 1 EIAF C[C@@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529320 NMHNTHYSPXEULH-NRFANRHFSA-N 336.387 4.144 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C=O)N1 587819445 MNWMTOKYSLHPNF-DYZYQPBXSA-N 348.215 4.024 0 1 EIAF O=C(c1cc2sccc2cn1)n1nc2cc1Oc1ccc(F)cc1-2 587876851 USIBQGNUBXHXQW-UHFFFAOYSA-N 337.335 4.093 0 1 EIAF CCCC[C@]1(c2ccccn2)NCCc2cnc3c(OC)cccc3c21 963035467 NFBXIFWMMLZKDJ-JOCHJYFZSA-N 347.462 4.218 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]21CCOc2ccc(C)c(C)c21 963256843 GBAVVSNIALTJJY-HXUWFJFHSA-N 343.854 4.137 0 1 EIAF O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)c1ccccc1 1772576924 AZRYWRIZWVORFG-UHFFFAOYSA-N 329.359 4.188 0 1 EIAF CCOc1cc(O)c2c(c1)C=CCCC[C@@H](O)CCC[C@H](C)OC2=O 1857627597 AVNJXMDNLVPHGQ-GOEBONIOSA-N 348.439 4.065 0 1 EIAF CC(C)C1=C(O)C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O 2356584557 IUGOAYHOVCGSAZ-PSYRKBHYSA-N 334.456 4.063 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CCOC1=O 2356611328 SIFADWAWFOYYKC-XQBGALMBSA-N 346.467 4.202 0 1 EIAF O[C@H](CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 13729981 QIPBXVRXNZAEGP-OAQYLSRUSA-N 327.443 4.204 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@H]1CN1 13835176 KRFWHRJXDKUGAA-PMDRVGQRSA-N 329.528 4.288 0 1 EIAF CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968477 JVVRHHHFMUUTLW-UHFFFAOYSA-N 336.313 4.166 0 1 EIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@@H]12 34801394 YFWPHJWDVIVLDC-FFPWWWKNSA-N 343.511 4.175 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CCCO)CC[C@]34C)[C@@H]1CCC2=O 38357441 QDVSNHMGKULZNC-RNXAVOFCSA-N 348.527 4.102 0 1 EIAF Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1 63298159 CLEGDJQQHUTCOW-UHFFFAOYSA-N 327.819 4.418 0 1 EIAF CSc1ccc(OCc2nc(Br)c(Cl)n2C)cc1 66073751 GCDZKWZXYSOLDX-UHFFFAOYSA-N 347.665 4.137 0 1 EIAF CC(C)(C)c1ccc(CNC(=O)Cc2ccc(O)c(Cl)c2)cc1 84689925 ZFDDNRZRPJIICS-UHFFFAOYSA-N 331.843 4.202 0 1 EIAF Cc1csc(NC(=O)c2oc(COc3ccccc3)cc2C)n1 95755506 UMUBJEVPUGDKEN-UHFFFAOYSA-N 328.393 4.184 0 1 EIAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]1(C)CC(=O)c1ccoc1)[C@@]23C 95910185 YVLGLKBVQAHOHD-MPZBRZFPSA-N 330.424 4.247 0 1 EIAF biogenic,in-vitro N#CC(=N)[C@@H](C#N)NCc1ccccc1Sc1ccc(Cl)cc1 207562910 IJGHXNIBPJAUJS-MRXNPFEDSA-N 340.839 4.016 0 1 EIAF Cc1ccsc1C(=CCCNCCC(=O)O)c1sccc1C 299860735 HASIMNOXCJYBNO-UHFFFAOYSA-N 335.494 4.313 0 1 EIAF COc1cc2ncnc([C@@H](C)c3cccc(Cl)c3)c2cc1OC 474609631 ROVZHCNAFFDJBQ-NSHDSACASA-N 328.799 4.452 0 1 EIAF Clc1ccc(-n2cc(-c3nc4cnc5ccccc5c4[nH]3)nn2)cc1 587075362 HHJFQQOGIJVPGA-UHFFFAOYSA-N 346.781 4.012 0 1 EIAF CCc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587116285 BRRSSHYEMNFXRB-UHFFFAOYSA-N 328.725 4.198 0 1 EIAF Oc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208768 ZHYSXXCQRWMAIH-UHFFFAOYSA-N 326.193 4.469 0 1 EIAF CC(C)(C)OC(=O)N1CCC(c2cc3c4c(cccc4n2)CC3)CC1 587211589 GXJMOWHMVFVPOV-UHFFFAOYSA-N 338.451 4.448 0 1 EIAF Fc1cc(Br)cnc1-c1cc2c3c(cccc3n1)CC2 587213984 USKLWEPZQUWLEJ-UHFFFAOYSA-N 329.172 4.297 0 1 EIAF CCOC(=O)CNc1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 587227044 IRENZHUBGOJDBS-UHFFFAOYSA-N 343.814 4.167 0 1 EIAF C[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343141 AGBLAMWVLBJWSV-AZUAARDMSA-N 337.350 4.134 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1Nc1ccccc1)O2 587389239 JNHFXWJZDWUHAE-CTNGQTDRSA-N 336.435 4.336 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc(C(C)C)cc31)O2 587414972 WZIYBFBOBVLULU-NRFANRHFSA-N 337.419 4.344 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1OC)CC2=O 587467279 RYQCXCHHHUOGSD-KRWDZBQOSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCOCc1ccccc1)CC2=O 587483354 QEGALJJVOFLSGB-INIZCTEOSA-N 340.419 4.285 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccccc1)CC2=O 587484889 OJVQZCREJQOOOS-IBGZPJMESA-N 348.402 4.441 0 1 EIAF CCc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587518484 JIYWXCKMZDGVQH-IBGZPJMESA-N 346.430 4.482 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 587787102 URFVOJANBKYFNA-GJZGRUSLSA-N 349.434 4.199 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826918 GULVVFLBAQONGZ-FVMDXXJSSA-N 338.220 4.422 0 1 EIAF CCCC[n+]1cn(CCOc2ccccc2OCC)c2ccccc21 653858784 XRAPWLGGGIBBPS-UHFFFAOYSA-N 339.459 4.207 0 1 EIAF COc1cc(C=CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1O 2356601262 PKAIECBWQZFYRP-CFLQYTFWSA-N 330.424 4.172 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC1=CCOC1=O 2356611325 SIFADWAWFOYYKC-GYPMPWGGSA-N 346.467 4.202 0 1 EIAF O=C(CCCN1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 1640506 JHBXOLKUKNLCRS-UHFFFAOYSA-N 336.410 4.328 0 1 EIAF Cc1ccc2c(c1)CN(C(=O)c1c(F)cccc1Cl)C[C@@H](C)O2 12052195 TYOAIGMTJSNNJX-GFCCVEGCSA-N 333.790 4.211 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27418838 ZDXVLUHOOVYRHN-CBEHDNJFSA-N 342.479 4.410 0 1 EIAF Cc1ccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)nc1 28713275 XQJOSZVQAYLJSI-ZSWVUIPGSA-N 328.481 4.012 0 1 EIAF Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2c(O)cccc12 45253712 MTXTYSSGWFCQIM-UHFFFAOYSA-N 344.370 4.157 0 1 EIAF CN1C(=O)[C@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 66098108 UMSBAILLSWNXRO-FQEVSTJZSA-N 340.426 4.112 0 1 EIAF c1nc(N2CCCCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66123953 DBIXSVRNUIWUDQ-UHFFFAOYSA-N 333.391 4.016 0 1 EIAF CCCCN1C(=O)C2(CCCCC2)N(c2ccc(C)cc2)C1=S 95872978 NWEATKPFKUSQEM-UHFFFAOYSA-N 330.497 4.432 0 1 EIAF O=c1sc2c(Cl)nc(-c3ccccc3)nc2n1-c1ccccc1 98083956 BUWKICITBLHVHG-UHFFFAOYSA-N 339.807 4.163 0 1 EIAF CC(=O)N(C(C)=O)c1cccnc1SC12CC3CC(CC(C3)C1)C2 103266079 HJPUSWLSCIPSGT-UHFFFAOYSA-N 344.480 4.042 0 1 EIAF CC[C@H](C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 116230684 LTZGWNSNJBIENC-ZDUSSCGKSA-N 335.407 4.230 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(C)cc2[nH]1 586962873 ILWODEHVGJHKND-CQSZACIVSA-N 328.441 4.227 0 1 EIAF CCc1ccc(-c2nc3ccc(CO)cc3[nH]2)cc1Br 586976170 DRQSFFSOKLTBAO-UHFFFAOYSA-N 331.213 4.047 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(F)cnc(Cl)c3[nH]2)s1 587014759 PZAVASLYBSJRMA-ZETCQYMHSA-N 340.811 4.280 0 1 EIAF Clc1ccnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587021820 PKKBVBJYRHEMPS-UHFFFAOYSA-N 326.812 4.326 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587067522 FGZMWCZLBDIOHF-SNVBAGLBSA-N 330.771 4.363 0 1 EIAF COC(=O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587081475 XEIUNSLNZLVFMJ-UHFFFAOYSA-N 339.782 4.006 0 1 EIAF COc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587135800 FITVAXJNCJPEOL-UHFFFAOYSA-N 329.375 4.137 0 1 EIAF Ic1cccc(/C=C\c2nc3ccccc3[nH]2)c1 587185116 XGVLHCIJBAEQBY-HJWRWDBZSA-N 346.171 4.338 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(C(C)C)cccc31)O2 587412318 MZVOGAWJRJBAOR-OAQYLSRUSA-N 337.419 4.344 0 1 EIAF O=C1C[C@@H](c2cc(O)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 587501595 CIHFPIQRGBPVKI-KRWDZBQOSA-N 330.330 4.256 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587768967 FJLOHCOQRAGFLS-DYZYQPBXSA-N 349.247 4.169 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC(C)C 587862365 LRFWNUYBOYCROZ-UHFFFAOYSA-N 326.318 4.264 0 1 EIAF COc1ccc(CCCc2nc3ccc(F)c(F)c3[nH]2)cc1OC 587925907 SVDDYKKDHXGMAK-UHFFFAOYSA-N 332.350 4.034 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1c[nH]nc1-c1cc(F)cc(F)c1)NCC2 962299622 OZFHNDSJLLRHRI-LJQANCHMSA-N 343.352 4.038 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@@H]12)C(=O)c1occc1CC3 1573483 HBYGDSOCXWYJLK-TYCQWZJGSA-N 342.435 4.485 0 1 EIAF biogenic O=C(OCC(Cl)(Cl)Cl)N1CC[C@H](C2CCCCC2)C1 1859827 GZKGPCKVFMKVNB-NSHDSACASA-N 328.667 4.395 0 1 EIAF Clc1ccc(CNc2cc(-c3ccccc3)nc3nncn23)cc1 6743016 NSPDFCVIWMUHRC-UHFFFAOYSA-N 335.798 4.057 0 1 EIAF CCCN(CCc1cccs1)C1Cc2cc(OC)c(OC)cc2C1 13471417 ZWNDDIIOXZXGCK-UHFFFAOYSA-N 345.508 4.187 0 1 EIAF CC(C)(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961316 ZDAGVFUZAHXRQK-UHFFFAOYSA-N 336.370 4.488 0 1 EIAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(F)c(Cl)c3)c12 20330151 QZPYVUOQDVIZHU-UHFFFAOYSA-N 349.749 4.244 0 1 EIAF Clc1ccc(/C(=C/n2cnnn2)OCc2ccccc2)c(Cl)c1 26279505 ABVXVPZILYLGMQ-SXGWCWSVSA-N 347.205 4.152 0 1 EIAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2OCc2ncccc21 40405157 MJIZBKQZRFWJJL-UHFFFAOYSA-N 338.313 4.227 0 1 EIAF Cc1cccc(C)c1NC(=O)CSC[C@@H]1CCCN2CCCC[C@H]12 53313486 XGKOVLQCDRSZNO-ZWKOTPCHSA-N 346.540 4.240 0 1 EIAF Oc1ccc(Cl)cc1-c1n[cH-]c[n+]1-c1ccc(C(F)(F)F)cc1 53685252 SUHHBZVHXILLQP-UHFFFAOYSA-N 338.716 4.122 0 1 EIAF CCCn1ccc2cc(OCc3cccnc3)cc(Cl)c2c1=O 66075841 UTAIQGDGWVABPF-UHFFFAOYSA-N 328.799 4.039 0 1 EIAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C(C)C)nc2n1 73390206 VYVPDPXTAPGXSK-UHFFFAOYSA-N 335.333 4.319 0 1 EIAF COc1ccc2c(c1)CCC[C@H]2c1cc(OC)c(OC)c(OC)c1 84618082 BIRNQUXNYNNHGC-INIZCTEOSA-N 328.408 4.189 0 1 EIAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CO 84619347 RTJKVGVMDMKVEQ-UHFFFAOYSA-N 344.720 4.495 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@]2(C)CCCC=C12 253703354 OVURERDJMLXMHG-RMOLCFGFSA-N 330.468 4.450 0 1 EIAF O[C@H]1C[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 586904466 UHOBSYSLSLDSJX-WFASDCNBSA-N 334.297 4.031 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(C)c2[nH]1 586964418 ZBEKRIASQBZZSW-LBPRGKRZSA-N 332.404 4.058 0 1 EIAF O=C1c2ccccc2-c2c(CC(F)(F)F)cnc3ccc(O)c1c23 586986912 QXKUYQQXZIGUCB-UHFFFAOYSA-N 329.277 4.257 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cncnc2[nH]1 587011319 FXLPLVNAIBUXPK-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF C[C@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2C1 587033159 FVEDOWAULMFPID-JTQLQIEISA-N 326.421 4.187 0 1 EIAF Oc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)c1 587053266 AULGZDJVWDDNDV-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF Fc1cc2[nH]c(CNc3ccccc3Cl)nc2cc1-n1cccn1 587061890 KVJNSLPOZSNGLB-UHFFFAOYSA-N 341.777 4.153 0 1 EIAF COc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587087246 JVDUAYWZUSIEKE-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF CCOc1ccccc1[C@](N)(c1nc2cccc(C)c2[nH]1)C(F)(F)F 587093605 VTNJALKQQAQCKA-KRWDZBQOSA-N 349.356 4.035 0 1 EIAF COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1C 587198147 UTNCFYIVDHAZOZ-MRXNPFEDSA-N 347.459 4.444 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O)c(Cl)c1)O2 587374125 GTKFIHASQIXJPI-AWEZNQCLSA-N 338.190 4.296 0 1 EIAF COc1cc2c3c(c1)O[C@H](CCc1c(F)cccc1Cl)[C@@H](C2)C3=O 587423487 KUTHRXPMBYKVGC-CZUORRHYSA-N 346.785 4.237 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(F)c1Cl)[C@@H](C2)C3=O 587424859 WMERKRVMFKWVHO-HUTHGQBESA-N 336.721 4.116 0 1 EIAF CN(C)/C=C/[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513230 RDHCVVFECWRWHN-JNCYCUAHSA-N 327.468 4.391 0 1 EIAF COc1ccc(C=O)c(-c2nc3c(C(C)(C)C)cccc3[nH]2)c1OC 587786641 MXDREXHACWGPOV-UHFFFAOYSA-N 338.407 4.357 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(F)cc1 587870701 PPHFHVZZLIJACO-UHFFFAOYSA-N 342.345 4.110 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccs1 587872114 HTVQYLRHCFZWCI-UHFFFAOYSA-N 330.384 4.032 0 1 EIAF Cc1ccccc1-c1cc(O)n(-c2ccnc(Br)c2)c1O 587941613 WRWRNJLFZSRCKY-UHFFFAOYSA-N 345.196 4.021 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 1857581274 WYLVHBJTPIXZSO-AUYGFBLUSA-N 332.484 4.243 0 1 EIAF COc1cc(-c2cc(-c3cc(C)c(O)c(C)c3)cnc2N)ccc1O 1857594387 LCAZEHDGRWQJHA-UHFFFAOYSA-N 336.391 4.034 0 1 EIAF CN1C[C@](O)(c2ccc(/C=C/c3ccccc3)cc2)O[C@H]2CCCC[C@@H]21 1857645045 ZVTVLKMLXPPMKV-ZNWBGWDYSA-N 349.474 4.275 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@@H](O)[C@H]2C1 2356506280 HTJLAOAUYDTOJA-YTRSDULBSA-N 332.440 4.108 0 1 EIAF COc1cccc([C@H](C)N(C)Cc2nc(-c3ccoc3)oc2C)c1 12029863 OKXJTZDKUALSNI-ZDUSSCGKSA-N 326.396 4.445 0 3 EIAF COc1ccc(-c2n[nH]cc2CN[C@@H](C)Cc2ccsc2)c(F)c1 13637181 WITLBTVNKYAQBD-LBPRGKRZSA-N 345.443 4.007 0 3 EIAF COc1cccc(Cn2cc(-c3cccc(C(F)(F)F)c3)nn2)c1 15935309 HUYVLXPODZQLEN-UHFFFAOYSA-N 333.313 4.021 0 3 EIAF C[C@]1(Cc2ccc(F)cc2)C(=O)Nc2ccc(-c3cccnc3)cc21 61903729 IOHDDCHUSKABRS-OAQYLSRUSA-N 332.378 4.340 0 3 EIAF COCc1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 61926129 YXRHBMUVDNFJHU-QGZVFWFLSA-N 347.386 4.316 0 3 EIAF Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1-c1ccccc1 5891327 JOFCFELBJMWFCA-UHFFFAOYSA-N 330.387 4.277 0 1 EIAF O=C1c2cc3c(cc2C[C@]12Cc1ccc4c(c1C2=O)CCC4)CCCC3 6513291 ZHIALTHOBMPSQK-XMMPIXPASA-N 342.438 4.218 0 1 EIAF Cc1ccc(C)c(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)c1 8673273 SRTWFBXMWCLLOD-UHFFFAOYSA-N 345.406 4.218 0 1 EIAF Cn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2 13532034 CYWSKAGHMPTBMS-UHFFFAOYSA-N 341.208 4.102 0 1 EIAF CN(Cc1ccccc1)C[C@H](O)[C@@H](c1ccccc1)c1ccc(F)cc1 39245437 FKZDTLIZCQLJNS-GOTSBHOMSA-N 349.449 4.451 0 1 EIAF COc1c([C@@H]2COc3cc(O)ccc3C2)ccc2c1C=CC(C)(C)O2 59729501 CSEWDTXNCZLZIW-AWEZNQCLSA-N 338.403 4.304 0 1 EIAF in-vitro C[C@H]1[C@H](NCc2coc(-c3ccc(O)cc3)n2)C[C@@H]2C[C@H]1C2(C)C 72181705 XTODPSLMGDNQAE-KBEZCGTCSA-N 326.440 4.208 0 1 EIAF O=c1ccoc2ccc(OCCc3ccc(Br)cc3)cc12 73196993 IQTMSSCFUSAPSM-UHFFFAOYSA-N 345.192 4.177 0 1 EIAF NC1(c2ccc(-c3nn4ccnc4cc3-c3ccccc3)cc2)CCC1 84708953 GRIWUEMXZJIXMP-UHFFFAOYSA-N 340.430 4.401 0 1 EIAF COc1ccc([C@@H]2O[C@H](C)[C@H](c3ccc(OC)cc3)O[C@H]2C)cc1 85980898 TWEGIGPRPZZEHS-RYMBOPBQSA-N 328.408 4.310 0 1 EIAF endogenous,in-man COc1cccc2c1CCc1cc(Nc3ccccc3N)ccc1C2=O 95579999 BYHKKYDYZBJRRB-UHFFFAOYSA-N 344.414 4.351 0 1 EIAF CC(C)Oc1cccc(-c2ccc(C(F)(F)P(=O)(O)O)cc2)c1 96285002 BJFIQOYJFJCJAS-UHFFFAOYSA-N 342.278 4.368 0 1 EIAF CC(C)NC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143933129 DFNSETCSVKRRDB-LBPRGKRZSA-N 345.370 4.178 0 1 EIAF CC(C)(C)[C@]1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1 144354509 YMJVEUCXLZNFQU-NRFANRHFSA-N 334.419 4.243 0 1 EIAF O[C@H](CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 145163485 KYIDZQMQKAIPPZ-HSZRJFAPSA-N 346.474 4.086 0 1 EIAF COC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1c1cccs1)N2Cc1ccccc1 169335631 CZZOEULDQDWSJA-NTDBWNAOSA-N 341.476 4.058 0 1 EIAF CCc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340307 YZIAGKVBNGLJFM-UHFFFAOYSA-N 336.420 4.263 0 1 EIAF Oc1ccc(-c2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 586899403 VSRPFFJKDYNUMH-UHFFFAOYSA-N 326.359 4.479 0 1 EIAF CC(C)Oc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587034464 GEXNFOAWYCGJQE-MRXNPFEDSA-N 328.437 4.268 0 1 EIAF Fc1c(Br)ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587090436 QLRIPJQOQOEXAI-QMMMGPOBSA-N 349.484 4.388 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)[nH]c1CC3 587106968 PMMAGLPSVFFHBH-UHFFFAOYSA-N 338.366 4.246 0 1 EIAF Cc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120971 LLCWEQAPBJGLFK-UHFFFAOYSA-N 334.223 4.299 0 1 EIAF Fc1cc(CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc(F)c1F 587138613 NEOUWPFUKHNBRD-UHFFFAOYSA-N 330.231 4.183 0 1 EIAF O=C(Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)NC1CC1 587212056 BCDZHJIHHCBHTQ-UHFFFAOYSA-N 329.403 4.284 0 1 EIAF OCc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241916 DYTJBRYTZLCDCJ-UHFFFAOYSA-N 331.375 4.171 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Cl)ccc3n1C)O2 587380251 RSXZEZKYBKCZRN-GOSISDBHSA-N 340.810 4.429 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(F)ccc4o1)[C@@H](C2)C3=O 587427008 FZJLHMQICBDNPJ-VBKZILBWSA-N 338.334 4.243 0 1 EIAF CCCCn1ccnc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587469815 GGLHORKVGSPYAV-KRWDZBQOSA-N 328.412 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)([C@H](CC)C(=O)OC)CC2=O 587483398 WRUHPTOQMRJBCW-QRWLVFNGSA-N 348.439 4.048 0 1 EIAF O=C1C[C@@H](c2cc(C(F)(F)F)n[nH]2)Oc2c1ccc1c2CCCC1 587506452 JSFHOSITSQEDPZ-AWEZNQCLSA-N 336.313 4.014 0 1 EIAF O=C1C[C@@H](c2c(F)c[nH]c3nccc2-3)Oc2c1ccc1c2CCCC1 587510848 XJKNMGNZKLZICT-KRWDZBQOSA-N 336.366 4.239 0 1 EIAF Cc1cc(C)cc(OCc2nc3cc(Br)c(C)nc3[nH]2)c1 587564053 GEOYHXWEARUNPB-UHFFFAOYSA-N 346.228 4.225 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(F)(F)F)N1 587709551 NMQLFFUHVOAFAS-JVXZTZIISA-N 340.158 4.290 0 1 EIAF CCOc1ccccc1OCc1nc2cccc(Br)c2[nH]1 587779925 JTYWKURHCFGLIA-UHFFFAOYSA-N 347.212 4.303 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587937599 PUUPFTLHCBFOPG-DYZYQPBXSA-N 346.814 4.071 0 1 EIAF COc1cc(OC)cc(-c2cn3c(-c4cccs4)cnc3cn2)c1 653671229 QBVXGVHVFLVSFQ-UHFFFAOYSA-N 337.404 4.142 0 1 EIAF Cc1cc2c(cc1F)[C@]1(CCOc3c(Cl)ccc(C)c31)NCC2 962297818 LHSQQFIZLISJCY-IBGZPJMESA-N 331.818 4.268 0 1 EIAF C[C@@]1(c2ccc3nc[nH]c3c2)NCCc2c(Cl)cc(Cl)cc21 963121488 LPOCNLKPXSEKLY-KRWDZBQOSA-N 332.234 4.279 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(C(C)(F)F)cc1 963612133 RYYSZYROGNKWMV-CWTRNNRKSA-N 347.405 4.439 0 1 EIAF O=C(O)CCc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1 1772592185 AWYLQRYFNVSRHJ-UHFFFAOYSA-N 343.386 4.105 0 1 EIAF CCCCC[C@H](O)[C@@H](O)C[C@@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356388992 CDZGNGSWCSIISG-UFYCRDLUSA-N 348.483 4.164 0 1 EIAF Cc1csc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 4960821 BNHFQVSRERZCEQ-KRWDZBQOSA-N 335.432 4.218 0 1 EIAF Clc1ccc(CCN2CCC[C@H](N3CCCC3)C2)cc1Cl 22935722 XZHUMOZFKIRLFW-HNNXBMFYSA-N 327.299 4.096 0 1 EIAF O=C(O)C[C@@H]1CCN(CCC=C(c2ccccc2)c2ccccc2)C1 27721205 HRUMHKUKZIRPBA-SFHVURJKSA-N 335.447 4.305 0 1 EIAF C=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21 27892892 PRRVUGWDILXJOU-UHFFFAOYSA-N 336.866 4.460 0 1 EIAF Cc1cc2ncn(CC(=O)Nc3ncc(C4CCC4)s3)c2cc1C 28393669 BBSYDDJGTACDNC-UHFFFAOYSA-N 340.452 4.016 0 1 EIAF COc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl 28897857 WXZGZVKTKDRMPL-UHFFFAOYSA-N 334.206 4.309 0 1 EIAF CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2 31847797 RDUITQOWSJHMOL-UHFFFAOYSA-N 339.435 4.017 0 1 EIAF CN(C)CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289133 XVEDKZVZEARJTI-LADGPHEKSA-N 346.518 4.326 0 1 EIAF COc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn12 66066422 APNSZRZOHZSHII-UHFFFAOYSA-N 337.404 4.183 0 1 EIAF CN1C(=O)[C@@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 66136338 UMSBAILLSWNXRO-HXUWFJFHSA-N 340.426 4.112 0 1 EIAF Cc1ccccc1Nc1nnc([C@H](O)c2ccc(F)c(Cl)c2)s1 82078369 NWLSIMZDWXPGPR-CQSZACIVSA-N 349.818 4.464 0 1 EIAF Cc1cc(NC(=O)NC(=O)c2ccc(Cl)cc2)c(C(C)C)cc1O 84671858 TYKCWRWIQSSUPE-UHFFFAOYSA-N 346.814 4.439 0 1 EIAF CO[C@@H]1OC2=CC3=CCC[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)C2=C1C 85691271 HGVIISJALNTGLG-YYTAETEZSA-N 332.440 4.134 0 1 EIAF O=C([C@@H]1CCCc2c1c1ccccc1n2CC[18F])N1CCCCCC1 102896195 RFWUQGQUOTWOHA-VFPPCTTKSA-N 341.461 4.433 0 1 EIAF CCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 169327789 CXJOQMWNIQGRAP-UHFFFAOYSA-N 332.359 4.103 0 1 EIAF Cn1c(-c2ccccc2Cl)cs/c1=N\C(=O)c1ccccc1 207453099 XSAGEOYIADIVDX-ZPHPHTNESA-N 328.824 4.148 0 1 EIAF O=C1c2ccccc2-c2cc(Cc3cccnc3)nc3ccc(O)c1c23 586988680 VRCYOYUBJCBQLM-UHFFFAOYSA-N 338.366 4.138 0 1 EIAF COC(=O)c1ccnc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc12 587053555 FJTCTNCBIVHETC-WAYWQWQTSA-N 348.189 4.222 0 1 EIAF Cc1cc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c(C)n1 587076252 SICLMAZOZWMIDV-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF COc1nccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158832 QQXNEVFTFHJDHK-UHFFFAOYSA-N 347.349 4.252 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 587172168 YEJZKDQLNJGORT-LLVKDONJSA-N 344.411 4.369 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587196316 SNHAHGXUYPHEBA-ZDUSSCGKSA-N 349.413 4.106 0 1 EIAF O=C(N[C@@H](c1ccccc1)c1nc2cccc(F)c2[nH]1)c1ccccc1 587221280 VEYWIABSTFEVNG-SFHVURJKSA-N 345.377 4.221 0 1 EIAF Cc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 587223532 CJWUJCABZDUOEY-AWEZNQCLSA-N 330.432 4.022 0 1 EIAF CCc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587232793 BDNJVMNLAIPVSG-UONOGXRCSA-N 329.444 4.286 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N)c(Cl)c1)CC2=O 587463148 UYQGKHIKSSTPTE-QGZVFWFLSA-N 331.799 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1OC)CC2=O 587467366 UEKTWVVCOSYIMD-MRXNPFEDSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(F)cc1F)CC2=O 587467823 UMNLZFAUSXAMRP-MRXNPFEDSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)C[C@@H](C)C1=O 587478724 HKELEOFVNYPOLE-ODXCJYRJSA-N 330.424 4.074 0 1 EIAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587508098 YRHDPHLJOZZENK-GOSISDBHSA-N 326.367 4.420 0 1 EIAF O=Cc1sc(F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510876 YPOMFSOOLOJVDQ-HNNXBMFYSA-N 330.380 4.285 0 1 EIAF O=C1C[C@]2(CCC[C@H]([C@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 587536881 XUWFXUQGBWWGBI-PNLZDCPESA-N 340.463 4.496 0 1 EIAF O=C1C[C@H](c2ccc3nsnc3c2)Oc2c1ccc1c2CCCC1 587537157 BGFNBTKHSLGFFI-GOSISDBHSA-N 336.416 4.277 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4c(C)ccnc4[nH]3)c2)c1 587933409 NKEDQPLRCZWWLB-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF COc1ccc2c(c1)[C@]1(CC[C@H](C(=O)O)C(C)(C)C1)N(C(C)C)CC2 962089730 HTBBSLRSJOHPEG-DYESRHJHSA-N 345.483 4.068 0 1 EIAF COc1ccc2c(c1)[C@](C)(COc1ccc(F)c(F)c1)N[C@H]1CC[C@@H]21 962997684 RYDZIYFHGKGPTN-YSSFQJQWSA-N 345.389 4.117 0 1 EIAF Clc1ccccc1CN=c1[nH]c(-c2ccc3c(c2)OCO3)cs1 1857644843 XGHNNUMVWZCEMG-UHFFFAOYSA-N 344.823 4.226 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]23CO[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]21)[C@@H]43 2356768533 QWUTUYGUGLFBMY-BLFORERHSA-N 344.451 4.460 0 1 EIAF CCCC=C[C@@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@@H]1OC 2356788650 CFSCKWTUQVLIEG-HNAYVOBHSA-N 346.423 4.189 0 1 EIAF N[C@H](CC(O)(c1ccccc1)c1ccccc1)c1ccccc1S 1641856 ZLBXUJKEJGQLHH-LJQANCHMSA-N 335.472 4.301 0 1 EIAF CCCCCC(=O)CCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460221 MHNBPSGXKPGDKQ-KRWDZBQOSA-N 348.439 4.279 0 1 EIAF biogenic COC(=O)C1=CC[C@H](C(C)=CCC=C(C)C)[C@@H]1[C@H]1C(=O)C=C[C@@H]1C 14620254 RQRBUFOWUWHSOT-FIYPYCPBSA-N 328.452 4.416 0 1 EIAF biogenic c1cncc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 19328105 UNYHVNRWJOVJSI-FCEUIQTBSA-N 344.462 4.029 0 1 EIAF FC(F)(F)c1cccc(Nc2ncccc2-c2nnc(S)o2)c1 27763240 XLDVKDDECYUBSO-UHFFFAOYSA-N 338.314 4.183 0 1 EIAF Cc1cccc([C@@H]2NC(C(C)(C)C)=N[C@@H]2c2ccc3nccnc3c2)n1 28656356 WWBGXAKQOUEKBM-MOPGFXCFSA-N 345.450 4.163 0 1 EIAF COc1ccc2sc(CCc3cc4c(cc3Cl)OCO4)nc2c1 40895396 POFRJLNLXBPFPR-UHFFFAOYSA-N 347.823 4.472 0 1 EIAF Brc1ccc2[nH]c3c[n+](Cc4ccccc4)ccc3c2c1 45393715 FCPOLBVZWVRCOC-UHFFFAOYSA-O 338.228 4.419 0 1 EIAF Cc1ccsc1C(=CCCN1CC(C(=O)O)C1)c1sccc1C 49808430 SVYQUPNWEALKTD-UHFFFAOYSA-N 347.505 4.265 0 1 EIAF CC(=O)N[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 72113846 IPHZKRRKEVFZLV-MRXNPFEDSA-N 336.218 4.444 0 1 EIAF C=CC1=C(C(=O)NC(C)(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 82158404 JIWSZCMXMZJQOI-OAHLLOKOSA-N 340.250 4.462 0 1 EIAF c1ccc(COC[C@@]23N[C@H](Cc4ccccc42)c2ccccc23)cc1 100660001 YPQFFHHHVNALDI-DHIUTWEWSA-N 327.427 4.347 0 1 EIAF Nc1nc(NC2CCCCC2)c2c(-c3ccc(F)cc3)c[nH]c2n1 222800950 QQJUCGSYNBAQMI-UHFFFAOYSA-N 325.391 4.091 0 1 EIAF in-vitro O=C1[C@@H]2[C@@H]([C@H]3C[C@@H]2[C@@H]2[C@H]4C=C[C@@H](C4)[C@H]32)[C@H]2[C@H]3C[C@@H]([C@H]4[C@H]5C=C[C@@H](C5)[C@@H]34)[C@@H]12 254134328 NCVGHTNYYDKVAM-XTTVAPPHSA-N 344.498 4.210 0 1 EIAF CCCc1cc([C@@H](O)[C@H]2C[C@H]3CCN2C[C@@H]3CC)c2ccccc2n1 299855045 CRRCFFHYTPMEMW-LGFFLQIISA-N 338.495 4.341 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586883718 LBOVBQQEVOPFOC-GFNBUGSDSA-N 344.842 4.471 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(F)cc(F)cc4[nH]3)oc12 586903807 OFDLPBSQIDXCDR-UHFFFAOYSA-N 328.274 4.075 0 1 EIAF Cc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1C 587040654 PZAHUKHNSMPOGJ-ZDUSSCGKSA-N 333.457 4.162 0 1 EIAF Cc1cnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 587077346 VHDCTQVPNREDJM-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF Fc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1Cl 587155554 NYVBAPHJDZKXKP-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF CSc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173804 JQBRVZMKHLHCBG-GOSISDBHSA-N 342.395 4.052 0 1 EIAF COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587249672 POVVGWLYTONFKB-UHFFFAOYSA-N 339.292 4.287 0 1 EIAF CCOc1ccc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587395331 PUUDBZYOURLVLX-HXUWFJFHSA-N 348.402 4.231 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4c(C)cccc14)[C@@H](C2)C3=O 587436872 BSXBVQMIXKMKNG-YCRPNKLZSA-N 333.387 4.148 0 1 EIAF O=C1C[C@H](c2cc(F)c(O)c(F)c2)Oc2c1ccc1c2CCCC1 587506445 NUAZPXSGYYYXHC-QGZVFWFLSA-N 330.330 4.256 0 1 EIAF CCCOc1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1 587567691 JBQPHQSRLDOVKI-UHFFFAOYSA-N 346.228 4.100 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 587787038 UFFJZKXROGDRLV-UONOGXRCSA-N 340.810 4.468 0 1 EIAF COc1ccc(/C=C/Cc2nc3ccc(F)c(C)c3[nH]2)c(OC)c1 587930286 SGFCURPMSSEFGQ-SNAWJCMRSA-N 326.371 4.284 0 1 EIAF COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CCCC2)c1 587933081 JOPRHGULSMJMTP-UHFFFAOYSA-N 336.391 4.160 0 1 EIAF CCN(CC)CCC[C@@H](C)N=c1c(F)c[nH]c2cc(Cl)ccc12 653700791 KTLSPOFRYVGDPZ-CYBMUJFWSA-N 337.870 4.372 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(O)c(F)c1 962373378 LHABCAWKCMEEAT-LJQANCHMSA-N 342.439 4.079 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(Cl)cs1 963054605 IKRWNUCDAQFRSJ-QGZVFWFLSA-N 330.840 4.193 0 1 EIAF COc1c(O)ccc(/C=C/c2cc(O)cc(O)c2)c1CC=C(C)C 1857654155 ACUJOEGBHPPBCF-AATRIKPKSA-N 326.392 4.491 0 1 EIAF Cc1nc2cc(NC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)ccc2n1C 471182 XJDLLAUVYPUPNQ-YWZLYKJASA-N 340.471 4.314 0 1 EIAF Oc1ccc(-c2nc3cc(O)cc(/C=C/Br)c3o2)cc1 13583701 LYKOIOVFPHLPCR-AATRIKPKSA-N 332.153 4.272 0 1 EIAF CN1CCc2cc(Cl)c3[nH]cnc3c2[C@H]2c3ccccc3CC[C@@H]21 13608520 KRBBQMCHAYPAIV-WMZOPIPTSA-N 337.854 4.151 0 1 EIAF COCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2ccccc21 28976024 QZVSWMWFYZNQHG-UHFFFAOYSA-N 344.418 4.488 0 1 EIAF CN1CCN(c2nc3ccccc3c3c2CC[C@@H]2CCCC[C@@H]32)CC1 29340067 AFZCODAIYOWGDR-DLBZAZTESA-N 335.495 4.207 0 1 EIAF CC(=O)Nc1sc2c(c1-c1csc3ccccc13)CCNC2 36382657 ZKVYIGYUDDBTED-UHFFFAOYSA-N 328.462 4.234 0 1 EIAF CN(C)CCc1cccc2[nH]c(-c3nc(CCC(C)(C)C)no3)cc12 40566123 FNXCZZBSKCIOJR-UHFFFAOYSA-N 340.471 4.301 0 1 EIAF COCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1 49072165 XZRKTYHOWNBSKM-UHFFFAOYSA-N 330.334 4.434 0 1 EIAF COc1cc(OC)cc(-n2c(-c3ccc(F)cc3)nc(C)c2C)c1 103222178 WXDUKAQCYIWWCD-UHFFFAOYSA-N 326.371 4.312 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@@H]3[C@@H]4C[C@](C)([C@]21O)[C@@]3(C)[C@@]12CCC[C@@H]1CC[C@@H]4C2 103575457 QJXRSIRLKXZTIH-YBLVMWOXSA-N 344.495 4.067 0 1 EIAF biogenic,in-vitro C[C@H](O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 140691081 YNZAQRSPHOQQKX-MMMWQVNKSA-N 347.543 4.093 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C 238772568 WPNXICJHRZQRMC-UDUCFELFSA-N 332.440 4.252 0 1 EIAF Cc1ccc2ccccc2c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586884709 XVZQSXBNMDOHCG-UHFFFAOYSA-N 329.359 4.022 0 1 EIAF Brc1ccnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 586887453 UJGHZTDRBSETSB-PXAZEXFGSA-N 340.224 4.092 0 1 EIAF CCOCc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)o1 586902182 CCCUVFIEOHOYEW-UHFFFAOYSA-N 339.164 4.261 0 1 EIAF Cc1ncsc1CCc1nc2cc(F)cc(Br)c2[nH]1 587027419 FDOKQICMDOXYLM-UHFFFAOYSA-N 340.221 4.015 0 1 EIAF NC(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076785 OIFHPQLTFMQUGA-UHFFFAOYSA-N 348.793 4.044 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Cl)ncc(F)c3[nH]2)n1 587078866 CSAOAXNAYJREJD-LURJTMIESA-N 328.178 4.238 0 1 EIAF Cc1cc(C)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 587080329 BXLUDMBSFRWVQT-UHFFFAOYSA-N 327.815 4.434 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4cncc(OC)c4[nH]3)c2)c1 587160473 TUEDNKSGKIBOAQ-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(F)(F)F)c1O)O2 587380282 CNAXDGKIEYPZKU-AWEZNQCLSA-N 337.297 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Cl)cc(F)cc31)O2 587385476 SSUCKTQDQVYAFN-SFHVURJKSA-N 331.774 4.177 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3cc1C=O)O2 587405387 LASXXEJESWNWEY-FQEVSTJZSA-N 331.371 4.249 0 1 EIAF C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603198 NRFOBRDPJFJBPA-NQIIRXRSSA-N 332.355 4.269 0 1 EIAF CC(C)(C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655718 PNPYSPLVYIWCGY-UHFFFAOYSA-N 342.345 4.028 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587769363 FXIKFPBZTCGPEA-DYZYQPBXSA-N 349.247 4.169 0 1 EIAF CC(C)SC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587842639 VFZJABILWUFKPR-YMTOWFKASA-N 332.282 4.305 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1[C@@H]1CCC[C@H]1O 587860485 VCVJVDPZLJGUJL-HUUCEWRRSA-N 341.238 4.342 0 1 EIAF COc1cccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c1 587930459 ILWRMDMBNNWCAQ-UHFFFAOYSA-N 331.213 4.233 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CC(=O)N1CCCCCC1 963236209 SSACJIDRGSASQZ-GCJKJVERSA-N 342.527 4.351 0 1 EIAF Cn1c2c(c3ccccc31)[C@@]1(CCC2)c2nc(Cl)cc3c2CCN1C3 963467720 GOHJAMGMGVBCJQ-NRFANRHFSA-N 349.865 4.178 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C[C@@H]3CN3)CC[C@@H]12 1857571438 KRFWHRJXDKUGAA-ZHYHQCPASA-N 329.528 4.288 0 1 EIAF CCC=CC[C@H](O)[C@H](O)CC=CCC=CCC=CCCCC(=O)O 2356345824 BLWCDFIELVFRJY-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356419207 KCXUKADVTVDPOM-ZDNYCOCVSA-N 329.528 4.240 0 1 EIAF OC(CCO[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)(C(F)(F)F)C(F)(F)F 2356454041 WZDOVQNCWWVIHL-CSYMLDBXSA-N 346.311 4.074 0 1 EIAF CC(=O)N1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1 13861070 BUXBWYJPEXONLX-UHFFFAOYSA-N 326.827 4.179 0 1 EIAF NC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1 13864403 KBOWMMZYYRZQQU-UHFFFAOYSA-N 338.310 4.206 0 1 EIAF O=C(Nc1ccccc1)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 26172675 NAZGKLDKOUUHJL-GOSISDBHSA-N 342.354 4.193 0 1 EIAF CCOP(=O)(Cc1ccc(-c2nc3ccccc3[nH]2)nc1)OCC 29319905 HOXHAFQWIRNXGS-UHFFFAOYSA-N 345.339 4.391 0 1 EIAF COc1ccc(-c2nc(/C=C/C(=O)O)cn2C2CCCCC2)cc1 35001682 QJVFARUNWXSAHW-FMIVXFBMSA-N 326.396 4.162 0 1 EIAF Clc1cccc(Cl)c1CO[C@H]1CCCC[C@@H]1N1CCOCC1 38894311 XENQVRODCYBGEK-IRXDYDNUSA-N 344.282 4.153 0 1 EIAF Cc1ccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccccc23)cc1 40874105 NSAUKFVGNKVMSE-QFIPXVFZSA-N 337.463 4.284 0 1 EIAF CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12 45497000 UDGHKGUJLNCLIE-UHFFFAOYSA-N 343.810 4.489 0 1 EIAF Oc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N1CCCC1)CC2 88261079 ZWYPYSDMZGMNEO-RTWAWAEBSA-N 325.427 4.268 0 1 EIAF CC[C@H](COc1ccccc1Cl)OC(=O)NCc1ccccc1 103192669 NIUNXXYMLCLITB-OAHLLOKOSA-N 333.815 4.424 0 1 EIAF CCC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 169324269 PNWNUTBAVRWRDZ-IEBWSBKVSA-N 325.408 4.208 0 1 EIAF C[C@H]1CCCN1c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 169708927 QGWYSTBAKRATDB-KPZWWZAWSA-N 333.353 4.454 0 1 EIAF COc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)C(C)=C2C)ccc1O 211236174 ACZGXHWMDDHKRQ-PMACEKPBSA-N 342.391 4.264 0 1 EIAF Oc1cc(Cn2cc(C3CC3)nn2)ccc1Oc1ccccc1Cl 231363182 IZROJXZTNQQASI-UHFFFAOYSA-N 341.798 4.355 0 1 EIAF in-vitro C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](N)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 255232152 MDZRHDNUSKCTSP-DEPFWLBZSA-N 328.544 4.207 0 1 EIAF Cc1cc(C)c2[nH]ccc2c1CN1CC[C@H](O)C[C@@H]1c1ccccc1 584636934 JTBTYGJFYMKDQG-GHTZIAJQSA-N 334.463 4.483 0 1 EIAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587024096 VMHIDPCUTDJEBE-HNNXBMFYSA-N 335.392 4.077 0 1 EIAF Fc1ccc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 587151454 ZSSFGQFJHDHUCJ-HWKANZROSA-N 340.308 4.336 0 1 EIAF Fc1cccc2c(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)n[nH]c12 587176291 JWWUTRKWNVTALL-UHFFFAOYSA-N 336.248 4.144 0 1 EIAF C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357867 WDOOBDHWRJGRDY-CCMJGWDWSA-N 326.367 4.449 0 1 EIAF COc1cc2c3c(c1)O[C@@H](CCc1c(F)cccc1Cl)[C@@H](C2)C3=O 587423483 KUTHRXPMBYKVGC-CJNGLKHVSA-N 346.785 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(F)c(F)c1)CC2=O 587467883 UDZIFKRJAVNSCJ-INIZCTEOSA-N 334.318 4.035 0 1 EIAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587521110 ANNGGPLSUSCQNG-LJQANCHMSA-N 338.403 4.289 0 1 EIAF COc1ccc2[nH]nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587527007 SOUHGXSTEUBHEG-LJQANCHMSA-N 348.402 4.157 0 1 EIAF O=C1C[C@@H](c2ccc3oc(=O)ccc3c2)Oc2c1ccc1c2CCCC1 587532846 PWRIWQVRQFBAMV-FQEVSTJZSA-N 346.382 4.378 0 1 EIAF O=C1C[C@]2(CC[C@H]3SCCS[C@@H]32)Oc2c1ccc1c2CCCC1 587537785 KBQGIZPQZNAKSM-NEWSRXKRSA-N 346.517 4.280 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587768965 FJLOHCOQRAGFLS-BMLIUANNSA-N 349.247 4.169 0 1 EIAF COc1ccc2c(c1)[C@]1(CCCCC[C@H](C(=O)O)C1)N(C(C)C)CC2 962089492 KASKVWXCHWWSAP-LAUBAEHRSA-N 345.483 4.212 0 1 EIAF Clc1nccc2[nH]c(CC3CCCCC3)c(CN3CCOCC3)c12 1772631905 IFCQVQGJMINXBU-UHFFFAOYSA-N 347.890 4.171 0 1 EIAF CC(C)C[C@H](N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61907417 GNTRUGPQWZSTCZ-JTQLQIEISA-N 330.379 4.346 0 3 EIAF O=C1O[C@H]2c3ccccc3C(=O)[C@@]2(c2ccccc2)N1c1ccccc1 1650535 QSWDLZWLBGEPJH-RBBKRZOGSA-N 341.366 4.476 0 1 EIAF CC(NC(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 3188951 LEMNXZTTXHRDKG-UHFFFAOYSA-N 334.647 4.345 0 1 EIAF biogenic CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12 14978486 UWOMAHASUCHMCR-UHFFFAOYSA-N 330.771 4.447 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(CO)[C@H](CC[C@H]12)C3 17140609 IURJXDRUVNGNGB-FNEKEKTMSA-N 332.484 4.101 0 1 EIAF CC(C)CN1C(=O)CS[C@@H]1c1ccncc1-c1ccc(F)cc1 28819657 FQUHICGRSBYGNH-GOSISDBHSA-N 330.428 4.118 0 1 EIAF CC(C)N(C(=O)c1ccc(C(=O)C(F)(F)F)cc1)c1ccccc1 28880292 NNBKKJJVVVRNIH-UHFFFAOYSA-N 335.325 4.487 0 1 EIAF COC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 29323442 KLHXLZIIYIORDF-UHFFFAOYSA-N 342.464 4.028 0 1 EIAF CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 34801220 ZTSSPWOMQLQKPF-IKQJIHETSA-N 329.484 4.134 0 1 EIAF Cc1c(NCc2c(F)cccc2F)nc(C2CC2)nc1NC1CC1 34802277 NTYZIRSXTSUBFT-UHFFFAOYSA-N 330.382 4.127 0 1 EIAF Cc1ccc(-n2nc(C)c(C(=O)c3ccc(Cl)cc3)c2O)cc1 40864077 JAEHFDSDOAJVGL-UHFFFAOYSA-N 326.783 4.079 0 1 EIAF C[C@H](Oc1ccnc2ccccc12)C(=O)Nc1ccc(Cl)cc1 43013614 QUECNCPJQOJAIV-LBPRGKRZSA-N 326.783 4.294 0 1 EIAF CCOc1ccccc1-c1cccc(-c2n[nH]c3[nH]c(=O)cc(C)c23)c1 63539478 SACRIVBWIXWZAH-UHFFFAOYSA-N 345.402 4.292 0 1 EIAF Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccsc2)nn1 95557680 UYQMNJPXCUTJKB-INIZCTEOSA-N 338.461 4.409 0 1 EIAF Cc1ccc(NC(=O)c2cc(-c3cnccn3)nc3ccccc23)cc1 95574750 WJJKGPKEJVYRNO-UHFFFAOYSA-N 340.386 4.253 0 1 EIAF O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1CN2CCC1CC2 95586596 GIVLVDCIMORORF-IBGZPJMESA-N 344.458 4.010 0 1 EIAF Cc1[nH]n([C@@H](C)C2CC2)c2nc(-c3cn(C)nc3-c3ccccc3)nc1-2 103590196 OGTUFZOTTJEYJP-ZDUSSCGKSA-N 346.438 4.058 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238760566 QJKGZNSDXBIUKZ-MLMMTZNQSA-N 332.440 4.108 0 1 EIAF CCCNc1nccc(NCc2sc(-c3ccccc3)nc2C)n1 299861902 MCUSLRKHFJDFNU-UHFFFAOYSA-N 339.468 4.343 0 1 EIAF COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1OC 325299823 VKAZAUCTTCYFKS-UHFFFAOYSA-N 336.313 4.190 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586894018 XLKNTZLTBSIBHC-PWJLMRLQSA-N 338.304 4.265 0 1 EIAF COC1(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCC1 586993729 ZSSUIODUIXFBBV-UHFFFAOYSA-N 345.398 4.263 0 1 EIAF CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587013150 IUCQHNTYEOBQAQ-UHFFFAOYSA-N 344.337 4.209 0 1 EIAF Cc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C 587077256 SRUZXGPNDZJSBW-QGZVFWFLSA-N 325.799 4.450 0 1 EIAF Cc1ccc2c(ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c32)n1 587087965 HBDAEHNRQRKEDC-LLVKDONJSA-N 328.366 4.169 0 1 EIAF CCc1nccnc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108073 XZGSLOLHGYJEOS-UHFFFAOYSA-N 337.382 4.466 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C(F)(F)F)c(C)s1)O2 587382241 KZAKECWRDKEMDF-LLVKDONJSA-N 342.342 4.067 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O 587426234 BIMFAQFACVJLFY-GQNMWPQZSA-N 338.378 4.288 0 1 EIAF CCOc1cc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587444494 ZJRPFFFIKUDUJR-IERDGZPVSA-N 338.403 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H](C)CC)CC2=O 587480403 JNLKOJXKPIFFEV-RBZFPXEDSA-N 348.439 4.048 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)o2)N1 587708511 YIDORZXUNSYOON-NXSYQRQQSA-N 344.611 4.458 0 1 EIAF COc1ccc(-c2cc(C3=N[C@H](c4ccccc4)CO3)co2)cc1OC 621431145 SAOHYVIUOVPPSL-KRWDZBQOSA-N 349.386 4.482 0 1 EIAF C[C@H](OCc1ccccc1)[C@@H]1c2c(F)cccc2C[C@H]2CCCN12 963095238 CNRSAITWKLQNJO-RRMPHLOHSA-N 325.427 4.493 0 1 EIAF COc1ccc(Br)cc1-c1ccn(-c2ccccc2)n1 1857545287 ITKXCDSZDOEVBK-UHFFFAOYSA-N 329.197 4.310 0 1 EIAF CCC(=O)c1cc(C)c2c(c1)C(=O)[C@](C)(C=C(C)[C@@H](O)[C@H](C)CC)O2 2356676379 RTTRWDZCXCRSLT-NWXLUKJOSA-N 344.451 4.275 0 1 EIAF CCCCCCC1=NOC[C@]1(C)C(=O)N[C@@H](C)c1ccc(F)cc1 4215713 ISMQQUCCARCXSO-LIRRHRJNSA-N 334.435 4.366 0 1 EIAF CC(C)NC1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 5175770 QVEMAJDWFCRHHM-BOPFTXTBSA-N 339.826 4.082 0 1 EIAF COc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 13587525 FVGVYAMTXQUAFY-UHFFFAOYSA-N 333.859 4.295 0 1 EIAF Clc1ccc([C@@]23CNC[C@@H]2[C@H]3COC2CCCC2)cc1Cl 45366519 ONSLZFSSJGOMSK-CPUCHLNUSA-N 326.267 4.040 0 1 EIAF COc1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)ccc1O 71329679 CDWNDXBGAJJHHI-UHFFFAOYSA-N 333.800 4.316 0 1 EIAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)c(C(F)(F)F)c1 73313868 HFMTXPZDYAOPOI-CQSZACIVSA-N 344.716 4.434 0 1 EIAF C[C@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 73314410 PNMNQMOHZGYGRA-KRWDZBQOSA-N 346.839 4.390 0 1 EIAF Fc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c(F)c1 96283010 ILRZDJBOXJLREG-UHFFFAOYSA-N 342.374 4.145 0 1 EIAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1O 96903612 NCDUCYPQLGABJF-UAFHBQARSA-N 342.391 4.214 0 1 EIAF COc1ccc(CCc2cc(O)cc(OCC=C(C)C)c2)cc1O 96910243 WYDIHDHENLWSPI-UHFFFAOYSA-N 328.408 4.237 0 1 EIAF CO[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CC[C@]1(C)O 169315754 UPAIMEGFTSSJTL-GFQBTELGSA-N 348.483 4.241 0 1 EIAF CCC(=O)[C@H]1C(=O)CC[C@@H](c2cccc(Oc3ccccc3)c2)C1=O 231261406 PEPODUYJUFJZLV-PXNSSMCTSA-N 336.387 4.090 0 1 EIAF CC[C@H]1CN(C)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12 238734643 MPRQXZAUJGRFNI-JKSUJKDBSA-N 340.467 4.184 0 1 EIAF O=C1[C@@H]2[C@@H]([C@H]3C[C@@H]2[C@H]2[C@H]4C=C[C@@H](C4)[C@@H]32)[C@H]2[C@H]3C[C@@H]([C@H]4[C@H]5C=C[C@@H](C5)[C@@H]34)[C@@H]12 254134325 NCVGHTNYYDKVAM-KQMGEECQSA-N 344.498 4.210 0 1 EIAF Oc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc2c1CCCC2 586898956 UAFKBNAHZQAVRA-UHFFFAOYSA-N 333.313 4.228 0 1 EIAF COc1cc(/C=C/c2nc3c(C)nccc3[nH]2)ccc1Br 586977130 NTXRUOGWLPKGCF-GQCTYLIASA-N 344.212 4.208 0 1 EIAF Cc1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c(C)n1 587006123 HWCPBYKOQJVDOO-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF COc1c(F)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587134501 HRPLQVPMLBUCOQ-UHFFFAOYSA-N 344.239 4.415 0 1 EIAF COc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c(F)c1 587148550 KBCLSGVOHVPRJJ-UHFFFAOYSA-N 340.276 4.200 0 1 EIAF COc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c(F)c1 587149525 UPKDJCGWGISRCP-UHFFFAOYSA-N 326.158 4.003 0 1 EIAF O=C1C[C@@H](c2nc(-c3ccccc3)no2)Oc2c1ccc1c2CCCC1 587525791 OAAJRBWSEQBNDZ-SFHVURJKSA-N 346.386 4.322 0 1 EIAF O=C(O)CC[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531338 YZDWTZSQVWBELT-YCRPNKLZSA-N 342.435 4.324 0 1 EIAF Cc1ccncc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774678 NTGKYDFIWJZFQO-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587938548 XDSMHHSCVVTVMO-FVMDXXJSSA-N 334.778 4.201 0 1 EIAF Cc1c(Br)cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1C 587962038 HTHIPGBFYLSMSK-QWRGUYRKSA-N 335.245 4.100 0 1 EIAF Cc1ccc(CC[C@@]2(C3CC3)NCCc3nc4ccccn4c32)cc1 962987248 KTWYNFIVOJIVOZ-QFIPXVFZSA-N 331.463 4.027 0 1 EIAF CCCC[C@@H](O)CCCCCC[C@H](C=CC(=O)O)Nc1ccc[nH]1 2356773161 SDJJYRRYCKOQMA-IAGOWNOFSA-N 336.476 4.328 0 1 EIAF COC(=O)c1cccc(-c2c(C)ncn2Nc2cccc(Cl)c2)c1 3641425 WQHLLWGLZJNLMV-UHFFFAOYSA-N 341.798 4.174 0 1 EIAF CC(=O)CCCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460254 AXMCVPFXFTXQER-KRWDZBQOSA-N 348.439 4.279 0 1 EIAF biogenic Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCCC2 13800368 JGDDWFWZGXUEBT-UHFFFAOYSA-N 325.355 4.459 0 1 EIAF CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(O)c1Cl 26022225 DMVTZNUWJSPYRS-UHFFFAOYSA-N 325.406 4.319 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26394143 YUEVEZWXYBGVTF-DQXIMYKQSA-N 345.527 4.301 0 1 EIAF CS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(O)cc2)cc1 26739388 LQGKOIBZDNJYFW-UHFFFAOYSA-N 330.430 4.191 0 1 EIAF Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3)n2)cc1 34317402 SODGCBNUEYHQNO-UHFFFAOYSA-N 333.729 4.290 0 1 EIAF CS[C@@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 40393119 MWAUZLNCUAEKNR-UIBBOPPKSA-N 340.897 4.313 0 1 EIAF COc1ccc2c(c1)[C@@H](CCNC(C)=O)[C@@H](Cc1ccccc1)CC2 40916747 JRFAYRRRAZMFGT-CTNGQTDRSA-N 337.463 4.110 0 1 EIAF CC(=O)Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)n1 66112740 QTALHLFNXHQOGA-UHFFFAOYSA-N 325.318 4.047 0 1 EIAF Fc1ccc(Cn2cncc2CNc2ccc(F)c(F)c2)c(F)c1 96940289 XCNDMVKGTWCNOB-UHFFFAOYSA-N 335.304 4.100 0 1 EIAF C[C@@H]1[C@@H]2Cc3ccc(N(C)C)cc3[C@]1(C)CCN2Cc1ccccc1 100719763 RWYOXWWPQFYBCZ-MQNAVGNWSA-N 334.507 4.477 0 1 EIAF COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2 210428283 IRECDGNNIQNOJK-KRWDZBQOSA-N 343.492 4.316 0 1 EIAF O=C(/C=C/C=C\CC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 263637041 KAYVDASZRFLFRZ-UZYYGLMPSA-N 339.435 4.334 0 1 EIAF O=C1c2ccccc2-c2c1n(Cc1ccccc1)c1ccccc1c2=O 473149888 KQSDCHWZPMZBPP-UHFFFAOYSA-N 337.378 4.261 0 1 EIAF CCOC(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587032259 GXYMQFRSYHOJIE-UHFFFAOYSA-N 338.388 4.327 0 1 EIAF Nc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc2c1 587251719 MBDJANAFBLOOSJ-UHFFFAOYSA-N 328.297 4.379 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(F)c1O)CC2=O 587466287 KNTYUZRIBSKQPX-OAHLLOKOSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)c(F)c1)CC2=O 587467177 OSQVYJUNCGEEJQ-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF C[C@]1(C[C@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587523473 JDKRKPPISKJUGA-VFNWGFHPSA-N 326.436 4.439 0 1 EIAF CC1(C)C[C@]2(C)O[C@H]2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536894 YAHYHOQEVMTUIQ-GIVPXCGWSA-N 326.436 4.247 0 1 EIAF CCC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587813003 MNFGTRLGLIPIRZ-PSLIRLAXSA-N 342.252 4.169 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2)N1 587818188 GNUFONSNTXPCGD-QGHHPUGFSA-N 348.215 4.024 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2)N1 587854629 RGEMNVTURWYWIH-RTHLEPHNSA-N 326.234 4.273 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccc(C2CC2)c1 963058533 PPJPHLNUWIMBLN-NRFANRHFSA-N 330.431 4.356 0 1 EIAF COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)cc1C 1857633552 FAJJUFIIPFKHQD-UHFFFAOYSA-N 335.329 4.349 0 1 EIAF O=C1NCCc2c(-c3ccc(C(F)(F)F)cc3)[nH]c3cccc1c23 13491949 JOHFOLVKACFYBO-UHFFFAOYSA-N 330.309 4.140 0 1 EIAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 13612050 DSNAAPPRGKMHCM-UHFFFAOYSA-N 329.359 4.121 0 1 EIAF CCc1cc2cc(C(=O)[C@@H]3COc4ccccc4O3)ccc2nc1C 13613066 DNGNUEBUEKGOGM-FQEVSTJZSA-N 333.387 4.128 0 1 EIAF CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1C)C2=O 13779814 QJRRNRZDGHBNBI-UHFFFAOYSA-N 349.409 4.085 0 1 EIAF Cc1noc(C)c1[C@@H](OC1CCNCC1)c1ccc(C(C)C)cc1 28249067 JSDXDXJQVGXFCS-FQEVSTJZSA-N 328.456 4.273 0 1 EIAF C[C@@H](NCCCCc1ccccc1)[C@@H](O)c1ccc2c(c1)SCC2 34778365 LOJKFYVLCQYUSW-IIBYNOLFSA-N 341.520 4.369 0 1 EIAF COc1ccc(Br)cc1-c1cc(=O)c2cc(C)ccc2[nH]1 40974545 HEEKBJKHVZYAEX-UHFFFAOYSA-N 344.208 4.275 0 1 EIAF CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)C1CCCC1 73274419 NANSQSUFSGYHTI-UHFFFAOYSA-N 337.876 4.086 0 1 EIAF Cc1ccc(CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 100705141 OGFKHQOCLLWKHQ-UHFFFAOYSA-N 335.432 4.379 0 1 EIAF C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 116229966 HEYDRRQYMSWMSI-AWEZNQCLSA-N 347.418 4.374 0 1 EIAF COc1ccc2c([C@@H]3CCc4ccc(Cl)cc43)ncnc2c1OC 221105967 MMLGZRFGZAYZTE-CYBMUJFWSA-N 340.810 4.379 0 1 EIAF Fc1c(F)c(F)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1F 586883695 DAMFSJIKJVKPDQ-MGNBDDOMSA-N 332.300 4.491 0 1 EIAF Cc1c(F)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002899 HVYMZHXZTSGPJG-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Fc1cc(F)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005383 GPDDTJSSSNIQCC-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 587011898 DWHXCESEUKOELS-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Oc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587018278 ZUFAUWLKFJJBTO-UHFFFAOYSA-N 328.784 4.107 0 1 EIAF Cc1nccc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 587076059 IAYGXRCDZDZJIC-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF COC(=O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106075 DPTKULHKLIALID-LBPRGKRZSA-N 343.382 4.039 0 1 EIAF COc1c(F)cc(-c2nc3ccc(Br)cc3[nH]2)cc1F 587135122 UAGJCAKHVWNGDX-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587170555 QFQMKYIDVCKRIX-VIFPVBQESA-N 348.374 4.435 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(CCCSC2)[C@@H]1c1ccc(F)cc1 587370366 APYHCJHKYLTVLJ-IEBWSBKVSA-N 344.407 4.156 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(F)c1)[C@@H](C2)C3=O 587427999 KZLSJTUQDMBEIX-HRAATJIYSA-N 349.361 4.114 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccn(Cc4ccccc4)c1)[C@@H](C2)C3=O 587431256 NFIFBDNWVBWFGX-PGRDOPGGSA-N 345.398 4.034 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1OC)CC2=O 587458450 BWNXDCDRJRPAPF-OAHLLOKOSA-N 347.798 4.108 0 1 EIAF O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587502204 CVAHRHDELKFULN-GOSISDBHSA-N 340.350 4.109 0 1 EIAF Cc1ccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2c1 587516552 YBRNDJJOCLYQBK-IBGZPJMESA-N 332.403 4.228 0 1 EIAF O=C1C[C@H](c2cn(-c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 587516745 VOMQGPYAIHQTHK-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587930 QRFAOEUJWAEXJK-NQIIRXRSSA-N 347.370 4.107 0 1 EIAF CCC(=O)C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587813957 RFINVWMVFSEUOI-QLJPJBMISA-N 342.252 4.097 0 1 EIAF C[C@H](O)CCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587826339 AIFBHLYGWOLUEO-COPLHBTASA-N 344.268 4.105 0 1 EIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587931795 SZWQXCJFQBZBPY-YPMLDQLKSA-N 332.325 4.434 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3c(C)cnc(Cl)c3[nH]1)CC2 587936515 DGNRCPQAAXZQEE-LBPRGKRZSA-N 327.815 4.201 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(O)c3[nH]2)cc1 587938390 WCTCSAXROPBYDT-IBGZPJMESA-N 330.387 4.457 0 1 EIAF N[C@H](N=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 957626648 BBPZKUGITDAPLX-CYBMUJFWSA-N 345.708 4.057 0 1 EIAF Nc1ncc(Cl)cc1[C@H]1c2ccsc2CCN1Cc1ccco1 962704144 ISQWOJXHHFPALA-MRXNPFEDSA-N 345.855 4.119 0 1 EIAF COC1(C[C@@]2(C)c3ccsc3CCN2Cc2cccnc2)CCC1 962995951 NTWIYHQIFYLUCU-IBGZPJMESA-N 342.508 4.376 0 1 EIAF Fc1cccn2cc([C@H]3NCCc4c(Cl)cc(Cl)cc43)nc12 963105442 JKDLKCURFGTELY-HNNXBMFYSA-N 336.197 4.015 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@@H]1C 2356675168 JMPCBBCNNVGUKM-NJURLCNJSA-N 330.424 4.028 0 1 EIAF O=C(O)CCCC(=O)OCc1c(-c2ccccc2)ncc2ccccc12 36388730 WGSJDJRBOUXFOE-UHFFFAOYSA-N 349.386 4.200 0 3 EIAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cccc(F)c2)cs1 61905292 QFFQWNDMWLEDPK-LJQANCHMSA-N 340.423 4.349 0 3 EIAF CSCC[C@H]1COC[C@@H](Cc2ccccc2)N1c1ccccc1 61947641 IGWBZRDAWRFMBV-VQTJNVASSA-N 327.493 4.256 0 3 EIAF Cc1cc(C)cc(NC(=O)N2CCC(N(C)CCC(C)C)CC2)c1 201473228 GVCSLZYSNJULKV-UHFFFAOYSA-N 331.504 4.278 0 3 EIAF CCCCCC(=O)CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460219 MHNBPSGXKPGDKQ-QGZVFWFLSA-N 348.439 4.279 0 1 EIAF biogenic CN(CCCCC(=O)c1ncc(-c2ccccn2)o1)Cc1ccccc1 14980050 KMWBCGYYQBQMCP-UHFFFAOYSA-N 349.434 4.222 0 1 EIAF S=C(NCCSCc1c[nH]c2ccccc12)Nc1ccccc1 26024373 SJEZUZAXYJPQLY-UHFFFAOYSA-N 341.505 4.388 0 1 EIAF CC(C)(C)n1nc2c3ccccc3n(Cc3cccs3)cc-2c1=O 26638189 NRHYEDJAXFBQLY-UHFFFAOYSA-N 337.448 4.168 0 1 EIAF CCN1C(=S)N(c2cc(Cl)ccc2C)C(=O)[C@@H]1c1ccccc1 27747357 FUSVBFNKYHZTMZ-INIZCTEOSA-N 344.867 4.343 0 1 EIAF Clc1cccc(Cl)c1C[C@H](c1ccccc1)N1CCNCC1 36093211 QYPSCQLKEMPYGY-GOSISDBHSA-N 335.278 4.182 0 1 EIAF O=Cc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1 66139425 KTAHSEWYUNMMSZ-UHFFFAOYSA-N 335.388 4.376 0 1 EIAF c1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1 95560533 IYYLEPUUSDIAOB-UHFFFAOYSA-N 325.437 4.470 0 1 EIAF COc1ccc2c(c1)oc1c(Nc3ccc(N(C)C)cc3)ncnc12 95596259 BTFOLWQYXZLKLZ-UHFFFAOYSA-N 334.379 4.194 0 1 EIAF COc1ccc(C2=NN=C(c3ccco3)Nc3ccc(F)cc32)cc1 101585938 USPNCSHYDYZLRI-UHFFFAOYSA-N 335.338 4.052 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169335215 HQWPPVLSHLFTDY-GQDVPIKJSA-N 329.484 4.180 0 1 EIAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(=O)O)ccc12 203424002 POZMFUCEDVKJET-UHFFFAOYSA-N 349.217 4.327 0 1 EIAF CC(C)(C)c1cc(-c2cn3c(n2)[S@](=O)C=C3)cc2c1OCC2(C)C 253752343 KXCBCUHXSKISHX-XMMPIXPASA-N 342.464 4.067 0 1 EIAF COc1cc(C(c2ccc(O)c(OC)c2)[C@H](CF)C(C)C)ccc1O 299831529 QMRSDXQPZGKFRG-OAHLLOKOSA-N 348.414 4.489 0 1 EIAF CCC(C)(C)c1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 586881552 NGKSEFFMQDRYCU-UHFFFAOYSA-N 342.464 4.321 0 1 EIAF Fc1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1-n1cccn1 586886672 GLSXTFZXTFKFJU-YCRPNKLZSA-N 344.393 4.259 0 1 EIAF CCOC(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907390 LSIOOBUBUFVZIT-UHFFFAOYSA-N 334.375 4.271 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)ccc(C)c2[nH]1 586964085 UMQIUWQHMUXQEP-LBPRGKRZSA-N 328.441 4.227 0 1 EIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587069284 HSNGMCOSJNVLNS-HNNXBMFYSA-N 339.870 4.380 0 1 EIAF COc1c(F)cc(-c2nc3cccc(Br)c3[nH]2)cc1F 587135095 SXYYIMGRJJSWFL-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF O=C(/C=C\c1nc2cc(Cl)cc(F)c2[nH]1)Nc1ccc(F)cc1 587166790 JADYEKNDMAUFQW-WAYWQWQTSA-N 333.725 4.146 0 1 EIAF CCOc1c(C)cc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439782 DCRJFFFHGMOYRZ-VFNWGFHPSA-N 338.403 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC)CC2=O 587468226 CKLYXIVZDPDROJ-HXUWFJFHSA-N 325.408 4.267 0 1 EIAF COc1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502333 VDNZWVUABRPDMV-INIZCTEOSA-N 343.810 4.329 0 1 EIAF O=C1C[C@](c2ccccc2)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587535429 JWZHHWZAQOUDDI-JPYJTQIMSA-N 348.442 4.463 0 1 EIAF COC(C)(C)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793340 NPGKUOISBRMRJS-HWPZZCPQSA-N 344.268 4.153 0 1 EIAF CCCCC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813863 QEQQFYSMWFDNJW-HWPZZCPQSA-N 342.252 4.097 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C5=C(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 653856230 JUBOZLAQBINONA-VMRCMBGLSA-N 328.452 4.387 0 1 EIAF COc1cc(F)cc(OC)c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963114502 VLFIPQCUDXOFDA-YWZLYKJASA-N 345.389 4.092 0 1 EIAF COC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1 1857606385 DOWBWDFYBJXHFI-UHFFFAOYSA-N 328.371 4.455 0 1 EIAF COC(=O)[C@H](C)CCC[C@@H]1C(C)(C)[C@H]2C=C3C[C@H](C)[C@@H](O)[C@]31CC2 2356439229 JGSCGGSHKGLIOT-ZGTZEGHKSA-N 334.500 4.345 0 1 EIAF O=C(C=Cc1c[nH]c2ccccc12)NC=Cc1c[nH]c2ccccc12 2356463244 UEIGNTNIVBVSQQ-UHFFFAOYSA-N 327.387 4.450 0 1 EIAF C=C=CCOc1ccc(COc2ccc(C=CC(=O)OC)cc2)cc1 2356719758 HLKPORZRDZAWMC-UHFFFAOYSA-N 336.387 4.172 0 1 EIAF COc1c(C)cc([C@@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1C 61908269 ZPNSHELTSLVFJD-QGZVFWFLSA-N 342.826 4.437 0 3 EIAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]12 13818620 FMPNFDSPHNUFOS-BWFBZZGWSA-N 345.527 4.419 0 1 EIAF CC[C@H](C)Sc1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 13863479 QIUAPKYBHDKVCU-VHSXEESVSA-N 338.423 4.399 0 1 EIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)([C@@H]3C(=O)OC[C@H]3CC(=O)OC)[C@@H]12 14923041 DLIVTIVVWVJJOU-SRWXMBJJSA-N 348.483 4.138 0 1 EIAF biogenic CCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 22924809 YRPZVHQLIQXJIE-UHFFFAOYSA-N 329.315 4.344 0 1 EIAF COc1cc2ccnc(C(=O)c3cccc(Cl)c3)c2cc1OC 26666292 ZIURPSWVKOMAGI-UHFFFAOYSA-N 327.767 4.136 0 1 EIAF Cc1ccc(C(=O)c2cc(C(=O)c3ccccc3)cc(C)c2O)cc1 28383242 BSBBUGPBWHAZQB-UHFFFAOYSA-N 330.383 4.471 0 1 EIAF COc1ccc(C2=C(c3ccsc3)C(=O)N3CCC[C@@H]3C2)cc1 40413116 FEXTXYPDVXZTPD-OAHLLOKOSA-N 325.433 4.062 0 1 EIAF COc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1 84740306 LAGGOAWCUXRRDH-UHFFFAOYSA-N 330.391 4.232 0 1 EIAF Clc1ccc(-n2ccc(NCCN3CCCCC3)n2)cc1Cl 95556995 YAVDCIMEFGGWAD-UHFFFAOYSA-N 339.270 4.077 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 169309318 WGPZAVZHAGYUOL-JEOUVKQFSA-N 331.500 4.055 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1 586880867 UADCIJAMBDWDCP-VMPITWQZSA-N 332.281 4.450 0 1 EIAF Brc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 586883376 BOSMPWCKCONRQR-YVEFUNNKSA-N 340.224 4.092 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 586895363 XYJRRBNXUIFBES-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Cc1nc(Br)sc1-c1nc2ccc(F)c(C)c2[nH]1 587011131 LBMVTZHATRZRTG-UHFFFAOYSA-N 326.194 4.205 0 1 EIAF Cc1ncsc1CCc1nc2cccc(OC(F)(F)F)c2[nH]1 587026426 FEGFDVSTRXLKKU-UHFFFAOYSA-N 327.331 4.012 0 1 EIAF Oc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075931 KZPSEUFEKQBJTN-QGZVFWFLSA-N 327.815 4.259 0 1 EIAF COC(=O)[C@H](C)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107109 PFOLZWRVWQUCEG-LLVKDONJSA-N 331.371 4.031 0 1 EIAF O=C1c2ccc(O)cc2OC(C2CC2)(C2CC2)[C@@H]1c1ccc(F)cc1 587357130 SXACYIXCDUVVTQ-LJQANCHMSA-N 338.378 4.449 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](CC)C(=O)OC)CC2=O 587483394 WRUHPTOQMRJBCW-MGPUTAFESA-N 348.439 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C(C)C)CC2=O 587491497 TZZVRQQWPCDXIF-FQEVSTJZSA-N 325.408 4.256 0 1 EIAF O=C1C[C@H](c2cnc3cccnc3c2)Oc2c1ccc1c2CCCC1 587526294 PFLVXPNSGPEDBX-HXUWFJFHSA-N 330.387 4.215 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587964001 XNDAYJGOFCOUSW-YUMQZZPRSA-N 330.737 4.393 0 1 EIAF Cc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)cc2C)C(=O)N3)cn1 653749350 KJDCUYSKZIOISP-ZDLGFXPLSA-N 329.403 4.495 0 1 EIAF O=C(NCCc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1 653844305 MXHZNXLWLCIYBL-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF COc1cc(C[C@@H](O)C2=C(C)CCCC2(C)C)cc(OC)c1OC 1857631319 VCMZZEUPAGMRKI-OAHLLOKOSA-N 334.456 4.142 0 1 EIAF N#CC(=N)[C@H](C#N)NCc1ccccc1Sc1ccc(Cl)cc1 125771 IJGHXNIBPJAUJS-INIZCTEOSA-N 340.839 4.016 0 1 EIAF CN(C)C(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 13559822 YNTRUANMLCUDBZ-UHFFFAOYSA-N 325.343 4.011 0 1 EIAF COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC=C(C)C 15115158 CUVVBEWXVFROAW-UHFFFAOYSA-N 328.408 4.106 0 1 EIAF biogenic,in-vitro COc1cccc(CNc2nc(C)c3nc(-c4ccccc4)oc3n2)c1 15732106 PFOKGABAQDMERR-UHFFFAOYSA-N 346.390 4.214 0 1 EIAF CCC[C@H](CC1(c2nnc(Cc3ccccc3)o2)CCCC1)C(=O)O 34803362 CKKKRJHYWGUIIV-MRXNPFEDSA-N 342.439 4.363 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 36289421 OVURERDJMLXMHG-VPGRVVOQSA-N 330.468 4.450 0 1 EIAF Cc1ccc(/C(=C\N2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 75284531 VPXXYNFHHSCZMB-HMMYKYKNSA-N 341.476 4.172 0 1 EIAF CCc1c(C(=O)O)ccc2c1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 238747965 VZKBBWPWZMINDQ-DBVUQKKJSA-N 330.424 4.042 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)c(C)cc2[nH]1 586916382 LWSZXRPWBGINHJ-HRAATJIYSA-N 334.419 4.396 0 1 EIAF CCOC(=O)[C@H](F)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995388 JNMGWEOEJWIZOC-GOSISDBHSA-N 349.361 4.328 0 1 EIAF COc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1OC 587028313 QMSRHZNSPRONBS-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF FC(F)(F)c1ccn(CCc2nc3cccc(C(F)(F)F)c3[nH]2)n1 587118321 LPXAPDRXDNMPOC-UHFFFAOYSA-N 348.250 4.040 0 1 EIAF Cc1c(Cl)ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 587130471 KNXJYGPACHJBRV-UHFFFAOYSA-N 342.773 4.143 0 1 EIAF N[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1F 587150542 MHFLCDYBHYAJNS-LBPRGKRZSA-N 345.246 4.047 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O 587424149 XQMMBFNOKONTHQ-UGSOOPFHSA-N 346.329 4.094 0 1 EIAF O=C1C[C@]2(C=COc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587531644 KKXMRAWYEKWTPE-NRFANRHFSA-N 334.371 4.038 0 1 EIAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587586850 KHVLCBBUBIIGNM-NQIIRXRSSA-N 347.370 4.053 0 1 EIAF CNc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746013 YKXROHHZLBWLDI-QGHHPUGFSA-N 349.247 4.254 0 1 EIAF CCn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587759235 ZSHWYDFRKUZVBS-HWPZZCPQSA-N 337.236 4.033 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2)N1 587815886 QWWZFYIJUGRRLF-PIGZYNQJSA-N 334.232 4.386 0 1 EIAF COc1ccc2c(c1)[C@@H](c1ccc(Cl)nc1OC)N(C(C)C)CC2 962090746 MSLHCESBIMTZTC-GOSISDBHSA-N 346.858 4.108 0 1 EIAF COC(=O)[C@@H]1CCCC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962663190 GAPBLTLPFRZFQO-UNMCSNQZSA-N 335.447 4.058 0 1 EIAF C[C@H](CCCC(=CCO)CO)CCC[C@@H](C)CCCC(C)(C)O 2356445406 AKXRSPSASWQOHJ-ZWKOTPCHSA-N 328.537 4.451 0 1 EIAF CCCCC[C@H](O)C=CC1=CCC(=O)[C@@H]1CCCCCCC(=O)O 2356572133 PUIBPGHAXSCVRF-ZWKOTPCHSA-N 336.472 4.424 0 1 EIAF NC(=O)N(O)Cc1sc2ccccc2c1Sc1ccccc1 13762743 UWWPQRNJDGCIHJ-UHFFFAOYSA-N 330.434 4.322 0 1 EIAF CCOc1cc(OCC)cc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 13913029 JMBMBPHJMMOLQL-GFCCVEGCSA-N 332.371 4.478 0 1 EIAF CC[C@]12CCCn3c(C(=O)O)cc(c31)-c1ccccc1NC(=O)CC2 26267732 NUBZLSRRKKYDFW-HXUWFJFHSA-N 338.407 4.027 0 1 EIAF CC(C)CC(=O)NCCCCNc1ccnc2cc(Cl)ccc12 35190662 LOAAACRENJUPRQ-UHFFFAOYSA-N 333.863 4.243 0 1 EIAF C[C@@H](Oc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl 72124814 FOPXVPTXHFPBSK-LLVKDONJSA-N 329.762 4.471 0 1 EIAF CSCSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101616796 WWCOUQDEXRRTEL-UOILHKSSSA-N 330.515 4.035 0 1 EIAF Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@@H](C)C2)sn1 169302118 KXKZCELYSNODQC-FTRWYGJKSA-N 343.540 4.347 0 1 EIAF CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccccc2c1 169313901 AUASRRWSKHUBGZ-HKHMFXFXSA-N 347.458 4.269 0 1 EIAF COc1ccc(C(=O)[C@@H](c2ccccc2)c2ccccn2)cc1OC 169333196 RCWMXDIHZVSBNH-FQEVSTJZSA-N 333.387 4.114 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCN3C)cc12 226054498 HLLHPNZRPHCXPJ-KRWDZBQOSA-N 325.387 4.144 0 1 EIAF Cc1cc(OCCCN2C[C@@H](C)C[C@@H](C)C2)nc(-c2ccccc2)n1 299831182 IYMJEFOSJKFKDF-CALCHBBNSA-N 339.483 4.199 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@]4(C)O 523042171 MQXZRJIHBYXBLW-FGKHCZQVSA-N 334.500 4.466 0 1 EIAF biogenic Cc1onc(-c2nc3ccncc3[nH]2)c1COc1ccc(Cl)cc1 587074916 AKXWFGGZHFUJLZ-UHFFFAOYSA-N 340.770 4.154 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)[C@H](O)C4)-c1ccccc1C2=O 587101786 QHBXUQMVLQNZHH-GOSISDBHSA-N 343.426 4.240 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(F)c(C)c3n1C)O2 587385832 QNQCAICBVGEKOS-SFHVURJKSA-N 338.382 4.223 0 1 EIAF CCOc1ccc([C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399059 HNHFOPKWUZZAFI-OAQYLSRUSA-N 337.419 4.247 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1nccs1)O2 587412126 HFCCNNBVHXBWAH-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF CC(C)(C)OC(=O)NCc1[nH]c2cc(F)ccc2c1-c1ccncc1 587636065 YRYGLHJFEAIHOQ-UHFFFAOYSA-N 341.386 4.394 0 1 EIAF CCc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587774744 XGDLJQPJKJZSPQ-QGHHPUGFSA-N 349.247 4.169 0 1 EIAF O=C(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)OCc1ccccc1 587782894 ZUESJNYLMFYQCP-UHFFFAOYSA-N 335.190 4.156 0 1 EIAF Cc1cc(OC(C)(C)C)n(-c2c(N)cccc2Br)c1O 587937032 MMENMEKXILBMJY-UHFFFAOYSA-N 339.233 4.013 0 1 EIAF O=c1cc(NCc2ccccc2)nc2scc(-c3ccccc3)n12 621431185 AESJYFMCIMZMKW-UHFFFAOYSA-N 333.416 4.035 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCCCCC(=O)O)N1 962950454 NFUAVQJWIUTXQE-VLIAUNLRSA-N 328.456 4.343 0 1 EIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1ccoc1 962957206 NXNCQOOCFCGAPO-MRXNPFEDSA-N 337.341 4.039 0 1 EIAF Fc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21 1857546193 QYWJFFFOUJVFOI-KNTRCKAVSA-N 335.422 4.486 0 1 EIAF Clc1cccc(-c2cc3[nH]c(=NCc4ccccc4)[nH]c3cn2)c1 1857549760 XNKXGZCZXCEXSI-UHFFFAOYSA-N 334.810 4.312 0 1 EIAF Cc1cc(OC2CCCCC2)cc(C(=O)Nc2nc(C)cs2)n1 1857564789 MKDGMAIPYNTPKD-UHFFFAOYSA-N 331.441 4.119 0 1 EIAF CC(C)C[C@@H](N)c1csc(NC(=O)c2ccc(F)c(Cl)c2)n1 1857593745 JUPKKFUHCXWBBC-GFCCVEGCSA-N 341.839 4.234 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@H]12 2356543709 RXSCXEUVYFNQRS-SGJCYKPQSA-N 330.424 4.078 0 1 EIAF c1ccc(Cc2ccc(OCCn3cnc4cccnc43)cc2)cc1 13488414 NWOUKUYIHNVVRG-UHFFFAOYSA-N 329.403 4.101 0 1 EIAF Cc1nccc2c1[nH]c1cc(OCCOC(=O)c3ccccc3)ccc12 13587095 ZHYNRDYFXZWBGU-UHFFFAOYSA-N 346.386 4.260 0 1 EIAF CCCCC[C@@H](O)/C=C/C=C/[C@@H](CCCCCCC(=O)O)OC 33820458 FPDXRJMUHIDIMS-FCBJGECASA-N 326.477 4.480 0 1 EIAF C=CC1=C(C(=O)NCCC)[C@H](c2ccc(Cl)c(Cl)c2)OC1 73224475 DZQGHRZQSYPKGW-HNNXBMFYSA-N 326.223 4.074 0 1 EIAF COc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1O 84671768 FZFIXLKTUQBZIV-UHFFFAOYSA-N 345.704 4.325 0 1 EIAF COc1ccc(CN(CCc2ccccc2)c2cccnc2)cc1O 103280501 ACBYKBLKNNVSIB-UHFFFAOYSA-N 334.419 4.045 0 1 EIAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccncc1 104027602 RIYRUWPKIUAYMY-HXUWFJFHSA-N 333.391 4.258 0 1 EIAF Clc1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)ccc2c1 149947630 XMLBYWQJCMZIQJ-GOSISDBHSA-N 339.826 4.293 0 1 EIAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 168920760 BWKAZVUUZYDEKI-SNVBAGLBSA-N 339.782 4.008 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 202973020 YWDPQXQHYYMNDR-YJMBLLCNSA-N 349.474 4.475 0 1 EIAF CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]34COC(=O)C3=CCC[C@@H]42)CO1 238751268 AHCLMOYDFNPXEO-BFKXUOHNSA-N 348.483 4.091 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)cccc4[nH]3)oc12 586902685 BTOZNBDNOPPTHT-UHFFFAOYSA-N 326.739 4.451 0 1 EIAF COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1C 586979593 RCCNUHNLWDRMRH-UHFFFAOYSA-N 346.228 4.321 0 1 EIAF Nc1c(O)cccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102910 BGWOORBBLBKUSD-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1C)O2 587375016 BCUNHHGLHFLMEW-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1F)(C(C)C)O2 587384682 HVPFSNNUUWDLMJ-IBGZPJMESA-N 331.362 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@H]1c1ccc(F)cc1)O2 587385096 RCSKKJIYYHOZRR-YYFZDKIDSA-N 325.383 4.244 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(Cl)cc4[nH]1)[C@@H](C2)C3=O 587423051 SWEAITSXTSSGAC-ORAYPTAESA-N 339.778 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4cc1OC)[C@@H](C2)C3=O 587444257 SUQNQWHYAOVYJA-JTSKRJEESA-N 346.382 4.346 0 1 EIAF CC(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587574515 BIWNMQNOACIDSE-RXVVDRJESA-N 349.386 4.478 0 1 EIAF CC[C@]1(Cc2nc3c(Cl)ccnc3[nH]2)CC(=O)c2ccccc2C1 587959830 IBIVXJWBVILJPU-LJQANCHMSA-N 339.826 4.379 0 1 EIAF COc1nc2ccccc2cc1/C=C/c1noc(Cc2ccccc2)n1 653798273 ZWUHKAXLCCUHRD-VAWYXSNFSA-N 343.386 4.388 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc2c(cnn2C)c1 963227411 JGLDMRXNYCIVSC-OPAMFIHVSA-N 333.479 4.493 0 1 EIAF Cc1ccccc1CN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1203708721 OGLOJRITCZTZKO-WBADGQHESA-N 336.523 4.390 0 1 EIAF CCc1ccc([C@@H]2C=CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 1857606915 XDNJQWJWTYQJPA-FQEVSTJZSA-N 341.476 4.249 0 1 EIAF c1ccc2c(c1)Oc1ncccc1[C@@H]2SCCN1CCCCC1 25970133 GYMSBKPBWHXIRA-GOSISDBHSA-N 326.465 4.496 0 1 EIAF CCCNC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc[nH]1 28653556 OYZOABKCEIYFIO-INIZCTEOSA-N 346.887 4.104 0 1 EIAF COc1ccc([C@H]2CC[C@@H](OC/C=C/c3cccnc3)O2)cc1OC 29313642 CSFAXQWSXQRRAJ-DFUPXEOGSA-N 341.407 4.006 0 1 EIAF c1ccc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)nc1 31829941 VZXICYSIGYOTKX-KSEOMHKRSA-N 344.462 4.029 0 1 EIAF C1=C(c2c[nH]c3ccccc23)CCN(C[C@@H]2CNc3ccccc3O2)C1 53267999 VSXPSCOXEGOPID-KRWDZBQOSA-N 345.446 4.130 0 1 EIAF CCCN1CN(CCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 58640600 SYPMKHCNHPDZJM-NHCUHLMSSA-N 340.467 4.275 0 1 EIAF CCCCC/C=C\C[C@H]1O[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 59206433 SGTUOBURCVMACZ-WHKAPZRYSA-N 336.472 4.399 0 1 EIAF in-vitro O=C(c1ccc(F)cc1)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1 64504045 WKBXFNRSYOSWEK-UHFFFAOYSA-N 334.272 4.466 0 1 EIAF CCc1cc(=O)c2ccc(Sc3cccc(Cl)[n+]3[O-])c(C)c2o1 73198177 ZXRJQVLXPWVCCZ-UHFFFAOYSA-N 347.823 4.102 0 1 EIAF CCc1cccc2ccn(C[C@@H](O)CSc3ccccc3O)c12 84706234 FSVMIJISLPBDLA-MRXNPFEDSA-N 327.449 4.063 0 1 EIAF Nc1ncc(C2=CCNCC2)c2cc(-c3csc4cnccc34)oc12 96282208 WMVBAGJBDHQPMK-UHFFFAOYSA-N 348.431 4.063 0 1 EIAF C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccccc1)N1CCN(c2ccccc2)CC1 101511244 GSIAQBZHBGRNHL-DMLMQYFOSA-N 332.491 4.380 0 1 EIAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N(c1ccccc1)CC2 146554386 CZQPNAAIRYFCKG-UHFFFAOYSA-N 341.461 4.063 0 1 EIAF CCCN(CCC)C(=O)c1cccc(-c2ccc3c(c2)OCO3)c1 169349619 YXQRBTXPXHYYSR-UHFFFAOYSA-N 325.408 4.345 0 1 EIAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 169367190 BZEWSQBMUDXXBU-CRWXNKLISA-N 331.765 4.038 0 1 EIAF O=C(/C=C/c1cccc(Br)c1)OCCc1ccccc1 214971404 RJAPTIYVAZHBLF-MDZDMXLPSA-N 331.209 4.248 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCNC4)cc3)cc12 216008811 DNDVBPXZTTXHLB-CYBMUJFWSA-N 340.810 4.263 0 1 EIAF C[C@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)c1ccncc1 253698701 RJLWFRLLAXAHSU-JQVVWYNYSA-N 338.495 4.361 0 1 EIAF C[C@@H]1CC[C@@H](C)N1CCCC[C@](O)(c1ccccc1)c1ccccn1 253699278 TVMSYESYJXBYTC-KNKQGSTJSA-N 338.495 4.361 0 1 EIAF CCOCc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)o1 586903944 VYTROMRGEJBXGJ-UHFFFAOYSA-N 348.406 4.191 0 1 EIAF Fc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F 587005849 WHGJSMUNCONUTI-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF COc1cc(OC)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587085571 UWTOXRLZGSOAMH-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(C(C)C)nc1C)O2 587411614 DXRINCOMKZSHAD-GOSISDBHSA-N 330.453 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(OC)ccc4ccccc14)[C@@H](C2)C3=O 587443517 QYKLLHIJORWSER-AOMKIAJQSA-N 346.382 4.346 0 1 EIAF CC[C@@]1(c2cc(C)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443921 QTHBUVLANGGBLZ-IERDGZPVSA-N 338.403 4.065 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cnc(C4CCCC4)s1)[C@@H](C2)C3=O 587453994 UDSSDYCLEYVEMR-UGSOOPFHSA-N 341.432 4.298 0 1 EIAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 587513512 AXCGSMCNYGHOHX-LJQANCHMSA-N 332.403 4.159 0 1 EIAF CCOC(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521008 CGAGOSFMIHVITD-UTKZUKDTSA-N 342.435 4.023 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587775369 ZMYFSFRFMJTEKF-APPDUMDISA-N 349.247 4.089 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)c(F)cc2[nH]1 587926875 LWNLKPWSQZMDLP-LLVKDONJSA-N 332.350 4.400 0 1 EIAF FC(F)(F)Oc1cc(Br)cc2nc(CC3CC3)[nH]c12 587958673 FKBMUNKTLJRESG-UHFFFAOYSA-N 335.123 4.177 0 1 EIAF Clc1ncnc2sc(Nc3cccc(Br)c3)nc12 653831420 ZHQDCGTZBYXLJT-UHFFFAOYSA-N 341.621 4.246 0 1 EIAF CCOC(=O)C[C@H]1CCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963126246 VTFJDZBAYXPQOK-PIGZYNQJSA-N 342.266 4.088 0 1 EIAF O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 13802712 JOVPNINDYCHWAC-UHFFFAOYSA-N 341.499 4.327 0 1 EIAF O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 13864650 LTEBBLMZCSMKFF-UHFFFAOYSA-N 328.371 4.450 0 1 EIAF CCCCC[C@@H](O)/C=C/C1=CCC(=O)[C@H]1CCCCCCC(=O)O 14680654 PUIBPGHAXSCVRF-PLUODVSUSA-N 336.472 4.424 0 1 EIAF in-vitro CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)nn2)CC1 28474368 OOELBZHBLRSVMM-UHFFFAOYSA-N 348.425 4.154 0 1 EIAF CCCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1 29135112 OVYHEQOJVOYIGX-SFHVURJKSA-N 343.492 4.266 0 1 EIAF CC1(C)C(=O)Nc2cc3[nH]c(-c4ccc(-n5ccnc5)cc4)cc3cc21 29310049 CVJJQWIXABPZBI-UHFFFAOYSA-N 342.402 4.250 0 1 EIAF CC/C(=C\c1ccc(OCCCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 39202448 UVGYHIYZGDLXQU-CSKARUKUSA-N 348.182 4.265 0 1 EIAF CCOC(=O)c1cc(Cc2ccc(C)cc2)c(=O)[nH]c1-c1ccccc1 84671912 HWGNVNSEUFKGDW-UHFFFAOYSA-N 347.414 4.118 0 1 EIAF COc1ccc(-c2ccnc(N(C)C)c2)cc1OCc1ccccc1 96937576 PGMUXFWUGRTJIL-UHFFFAOYSA-N 334.419 4.402 0 1 EIAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21 143338744 XALMKMTYEDCCFB-ZDUSSCGKSA-N 329.115 4.228 0 1 EIAF CC(=O)Nc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1 203681068 GAAPWVDCWFBJJR-UHFFFAOYSA-N 334.404 4.052 0 1 EIAF COC(=O)c1cc(O)c2[nH]c3ccc(O)c(CC=C(C)C)c3c2c1 207898424 XYOGEVAARAVQHR-UHFFFAOYSA-N 325.364 4.028 0 1 EIAF Cc1c(O)cc2c3c1[C@H](C)[C@@H](C)O[C@@H]3C[C@H](c1ccc(O)cc1)O2 473081295 BXIIDDHHSRQLLO-PQNMDKLMSA-N 326.392 4.493 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586886097 ZRTFOONIKHHUDD-KVFJLYFUSA-N 346.272 4.497 0 1 EIAF FC1(F)Oc2cc3nc(CCc4cc5ccccc5o4)[nH]c3cc2O1 586904518 WCMGTTRTSQWMDU-UHFFFAOYSA-N 342.301 4.416 0 1 EIAF CC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587075558 DZPJWCMBHYDYGB-QGZVFWFLSA-N 339.782 4.036 0 1 EIAF Cc1cc(F)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 587116549 HBURSCLMTOZXGE-UHFFFAOYSA-N 332.688 4.083 0 1 EIAF N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C1 587246692 LLJBUEHFTAJESL-POYBYMJQSA-N 337.267 4.195 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)(c3ccc(F)cc3)C1)O2 587383392 BFMHITRKJQBAIO-UHFFFAOYSA-N 325.383 4.172 0 1 EIAF CC[C@@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383408 ZXEAVKCDIZVZPX-SFHVURJKSA-N 335.325 4.265 0 1 EIAF CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420768 JACALUGSJCMEGT-BEFAXECRSA-N 328.795 4.402 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C2CC2)N1 587758989 ZEEYBIWDIXJMSA-DYZYQPBXSA-N 349.247 4.348 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCSC2)N1 587858292 PVDKMCCRZZBTBH-HFBDOXOYSA-N 344.293 4.307 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(Cc3cncc(Br)c3)n1)O2 587871828 CRNHLFQYMLWWMM-UHFFFAOYSA-N 346.159 4.001 0 1 EIAF CC(C)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857611743 ZEZLNBFUXKHPBA-UHFFFAOYSA-N 328.379 4.055 0 1 EIAF CC(C=Cc1oc(=O)c2c(c1C)O[C@H](C)C2(C)C)=Cc1ccc[nH]1 2356702605 MBCKESWYYQOLQM-CQSZACIVSA-N 325.408 4.452 0 1 EIAF CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1cccc(OC)c1 95554979 BWXLEAFOTTVRLB-GOSISDBHSA-N 338.451 4.428 0 3 EIAF O=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1 3814235 YGOWOKNKZNIBEE-UHFFFAOYSA-N 349.478 4.336 0 1 EIAF C[C@]12CC[C@]34COC(=O)C3=CCC[C@@H]4[C@]1(C)C[C@H](c1ccoc1)O2 13454973 SUHBSVHVWQDUEA-CJGGRQNCSA-N 328.408 4.179 0 1 EIAF biogenic COC(=O)[C@@H](C)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 14588291 YWRLUOURIMRHED-YEJXKQKISA-N 344.451 4.491 0 1 EIAF biogenic Cc1ccc2c(c1)[C@@H](N1CCNC(C)(C)C1)C[C@H]2c1ccc(F)cc1 22938058 YGBDHZJMOPGGDK-FPOVZHCZSA-N 338.470 4.395 0 1 EIAF COc1ccc2[nH]cc(Sc3cc(O)c(OC)c(OC)c3)c2c1 45257116 NHYBGBUDNDHDBU-UHFFFAOYSA-N 331.393 4.051 0 1 EIAF Cc1ccc(NC(=O)c2cccnc2SCc2ccncc2)cc1 64573380 GUFURZPDMNWEBT-UHFFFAOYSA-N 335.432 4.330 0 1 EIAF CN1[C@H]2CC[C@H]1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2 100897430 SETREJOKOHORIS-SFTDATJTSA-N 346.474 4.075 0 1 EIAF COc1cc2sc(-c3c(-c4ccccc4)n[nH]c3N)nc2cc1F 114398543 SWYXGMQXRBABPD-UHFFFAOYSA-N 340.383 4.083 0 1 EIAF C/C=C\C(=S)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238785686 HHPQBRSGRYPIDJ-TUZMDKERSA-N 334.481 4.363 0 1 EIAF CN(CCCN1CCc2c([nH]c3ccccc23)C1)CCc1ccccc1 299826061 YKXWZQXJSLUKEV-UHFFFAOYSA-N 347.506 4.091 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899185 XSODVSACUQVWRO-IBGZPJMESA-N 344.374 4.326 0 1 EIAF Cc1cc(Cc2nc3ccc(Cl)nc3[nH]2)ccc1Br 586976340 IJUPLERGDKBLSR-UHFFFAOYSA-N 336.620 4.273 0 1 EIAF COC(=O)c1cc(Cl)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 587034655 XAYDHOCXCHLNGJ-UHFFFAOYSA-N 332.812 4.220 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(CCc3ccccc3Cl)nc2c1 587057661 CRYHKIQYDYVZOB-UHFFFAOYSA-N 349.217 4.442 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2nc(Cl)c(Cl)cc2[nH]1 587072243 PMFQWIHVYVGMOX-UHFFFAOYSA-N 340.597 4.344 0 1 EIAF Fc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1Br 587090053 LEIHOAMDBZQQHJ-QMMMGPOBSA-N 349.484 4.388 0 1 EIAF Cc1cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587137549 BFOMFPYLMLSLMX-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Fc1ccccc1CCc1nc2cc(Br)cc(F)c2[nH]1 587150483 RSLLHIIXCXCTAW-UHFFFAOYSA-N 337.167 4.389 0 1 EIAF COc1ccc(-c2nc3cccc4c3c(c2[C@@H](C)C(=O)O)CC4)cc1 587213706 KJPNVDMROYMFHQ-GFCCVEGCSA-N 333.387 4.197 0 1 EIAF O=C(c1coc2ccc(Cl)cc12)C1(Br)CCOCC1 587276772 VMAFPORWOIPRAX-UHFFFAOYSA-N 343.604 4.213 0 1 EIAF COc1cccc(-c2cc(C(=O)N(C)C)nc3c2oc2ccccc23)c1 587361027 UUTZYOMGYQAQAY-UHFFFAOYSA-N 346.386 4.358 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(F)cc1F)[C@@H](C2)C3=O 587423000 HPMSZEQXYWZCED-BTDLBPIBSA-N 336.721 4.116 0 1 EIAF CCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428330 MHWMBDLIINSZOD-OXQOHEQNSA-N 326.367 4.277 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C(C)C)c1)CC2=O 587475625 MYBKFMICZRGNTK-LJQANCHMSA-N 328.412 4.003 0 1 EIAF CC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513650 SYNOZGQOJMKPLI-JOCHJYFZSA-N 349.430 4.404 0 1 EIAF CCO/C=C(\C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794263 GMNIDYPEOPFWRZ-FHYAELHMSA-N 328.225 4.104 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2)N1 587854628 RGEMNVTURWYWIH-RMLUDKJBSA-N 326.234 4.273 0 1 EIAF Cc1cc2c(cc1F)[C@](C)(c1sc(NC(C)C)nc1C)NCC2 962089065 FSYRBNWHFPSLQR-GOSISDBHSA-N 333.476 4.129 0 1 EIAF COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF 1772627726 NRULTKKENGDLNR-WBVHZDCISA-N 347.405 4.076 0 1 EIAF Oc1ccc(Br)cc1-c1ccn(Cc2ccccc2)n1 1857618742 ILTCUDLNSKXAHS-UHFFFAOYSA-N 329.197 4.067 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@@H](C(=O)O)[C@@]21C 2356625068 YOHUCVRCSMMGNP-WBFDFMGXSA-N 346.423 4.202 0 1 EIAF Cc1ccccc1-n1ccc2c(NCCO)nc3c(C)cccc3c21 13454974 IMMCZYBKRMEERB-UHFFFAOYSA-N 331.419 4.200 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1OCC2=O 26988934 COHCBZXNSQMOML-KRXUUXHPSA-N 340.463 4.422 0 1 EIAF C[C@@](O)(c1cccc(Cl)c1)[C@H](c1ccc(O)cc1)c1ccccn1 33605042 AFGHHQYPGGUUDY-WOJBJXKFSA-N 339.822 4.480 0 1 EIAF c1ccc(C(NC[C@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 73351326 BUTSHKRIRGZUNO-JOCHJYFZSA-N 329.443 4.357 0 1 EIAF CC(=O)Nc1cccc(Oc2cncc(NCC3CCCCC3)n2)c1 82068629 ADJZFECBQIPQHZ-UHFFFAOYSA-N 340.427 4.220 0 1 EIAF CCCCCn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 82177925 UIIIOZHHLPOFBG-UHFFFAOYSA-N 338.459 4.146 0 1 EIAF CCN(C(=O)c1ccccc1Cc1ccccc1)[C@@H]1CCC[C@H](N)C1 96940003 HEXWTAWXFGXPSE-VQTJNVASSA-N 336.479 4.009 0 1 EIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(F)cccc3CC[C@H]21 117627093 ZOAXBNRBMBWPOC-HNAYVOBHSA-N 349.409 4.037 0 1 EIAF CC(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 261170034 SSTFAQARXUDMNY-IRJFHVNHSA-N 344.499 4.128 0 1 EIAF Cc1cc(C)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 586997249 PJXDYGGIBXBQEP-OAHLLOKOSA-N 331.213 4.024 0 1 EIAF N=C(N)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048337 HFYMYDNPCJKMGW-UWVGGRQHSA-N 345.233 4.425 0 1 EIAF CCc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587125316 RPUWENICTJSVSM-OTYXRUKQSA-N 349.360 4.296 0 1 EIAF COc1nccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587146005 ZOUZBBPYHOEEMG-UHFFFAOYSA-N 333.366 4.363 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587241467 CXSVKNWMWNNAQI-UHFFFAOYSA-N 329.350 4.493 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(Cl)cc3[nH]1)O2 587378920 FQKNTYYTBLCWEH-KRWDZBQOSA-N 326.783 4.418 0 1 EIAF Cc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587519157 VMVYRXVLRHEWBY-LJQANCHMSA-N 332.403 4.228 0 1 EIAF COc1nccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587524635 LDFBMDCUGGGEMU-GOSISDBHSA-N 348.402 4.157 0 1 EIAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530876 WHLKGZBMPRSOQE-WQTXXOFMSA-N 338.447 4.295 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587785926 POYCZFNHHJRFNR-HOTGVXAUSA-N 343.386 4.055 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2)N1 587815884 QWWZFYIJUGRRLF-DIFFPNOSSA-N 334.232 4.386 0 1 EIAF Cc1cc(C)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962719329 VQEDNGLKSCTHGX-QRWLVFNGSA-N 342.483 4.291 0 1 EIAF CC[C@@H](C)c1ccc(-n2cccc2[C@@H]2c3c(cnn3C)CCN2C)cc1 963955138 NXUGXQWZYKHKOF-OPAMFIHVSA-N 348.494 4.302 0 1 EIAF CCC(CC)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)O)c12 1857620777 CRTIOMKZYDEYOT-UHFFFAOYSA-N 341.386 4.470 0 1 EIAF Clc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 17818 QKBNARIQGVGSGH-UHFFFAOYSA-N 335.798 4.081 0 1 EIAF COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CC[C@H]2N 3982035 JHFAAJOOTIXXGZ-QGZVFWFLSA-N 338.451 4.191 0 1 EIAF C[C@H]1CCC[C@@H](NC(=O)CCn2c(=S)oc3ccccc32)[C@@H]1C 4686778 PMBRAFYKURLEHX-BFHYXJOUSA-N 332.469 4.295 0 1 EIAF Cc1ccccc1NC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 4920672 DTPNDIPXTUBAEM-UHFFFAOYSA-N 342.782 4.009 0 1 EIAF COc1ccc(-c2csc(Nc3cccc(C)n3)n2)c(OC)c1 13141376 ITJCKGQKTKSRQN-UHFFFAOYSA-N 327.409 4.274 0 1 EIAF CSc1ccc(-c2c(-c3ccncc3)nc3n2CCS3)cc1 27851159 WOQVAQMSGVQBFV-UHFFFAOYSA-N 325.462 4.440 0 1 EIAF Clc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3 29482955 QJXNUSOKENDUGP-UHFFFAOYSA-N 325.843 4.207 0 1 EIAF CCc1nn(CCO)c(CC)c1Oc1ccc(Cl)c(Cl)c1 34005541 YEVODJYHJDIACX-UHFFFAOYSA-N 329.227 4.099 0 1 EIAF O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12 34820158 ATBIFOIEJPMDBU-UHFFFAOYSA-N 339.370 4.281 0 1 EIAF c1nc(NCc2ccoc2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 36382608 KRPDWHZTPZNLAZ-UHFFFAOYSA-N 345.358 4.231 0 1 EIAF CC1=C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)([C@H]1CC(=O)c1ccoc1)[C@@H]23 38305187 PHCHZWZHTDPULA-UZKILMIQSA-N 328.408 4.167 0 1 EIAF CCNc1cc(-c2cccc(OC)c2)nc(Nc2ccc(F)cc2)n1 45168127 JBEVYOCOEUHBOU-UHFFFAOYSA-N 338.386 4.467 0 1 EIAF Cc1cc2ncn(-c3nccc(NCc4ccc(F)cc4)n3)c2cc1C 45334718 JXACSAKBTDSKDG-UHFFFAOYSA-N 347.397 4.184 0 1 EIAF COc1ccc(-c2cccnc2)c2cc(C(=O)Nc3ccncc3)oc12 49034631 JVZASSQZJOEBDU-UHFFFAOYSA-N 345.358 4.151 0 1 EIAF O[C@@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc(F)cc1F 84758430 CTGKEWQPUSZCPT-NRFANRHFSA-N 343.417 4.263 0 1 EIAF OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccoc4)N=N[C@H]23)CC1 87612926 QWEFREUFKAXZEP-BPZDKFOGSA-N 349.434 4.147 0 1 EIAF CC(C)(C)OC(=O)NCc1ccc(OC(=O)Oc2ccccc2)cc1 220514303 WTPHRCPESRNMIN-UHFFFAOYSA-N 343.379 4.289 0 1 EIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 586908658 SUVIMZAJWJTQDI-QMMMGPOBSA-N 335.190 4.451 0 1 EIAF c1ccc2oc(CCc3nc4cc5c(cc4[nH]3)OCCCO5)cc2c1 586909261 XLNBKQXEEJSWNJ-UHFFFAOYSA-N 334.375 4.256 0 1 EIAF Cc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029686 SCEVWKUPAOAZDJ-UHFFFAOYSA-N 345.431 4.393 0 1 EIAF CCOc1cc(/C=C\c2nc3cccc(O)c3[nH]2)ccc1OC(F)F 587131347 YBRIPFKXJZJMHC-CLFYSBASSA-N 346.333 4.439 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587169201 XAPGANYQJJKEEW-UHFFFAOYSA-N 347.397 4.444 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccccn1)O2 587394066 QBQFXPYUTWWFBE-QFIPXVFZSA-N 344.414 4.076 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccnc4)cc1)[C@@H](C2)C3=O 587434980 APOWBRHONZNHPM-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(O)cc(C(C)(C)C)c1)[C@@H](C2)C3=O 587452359 SWNAFNVMGYEMQO-OXJNMPFZSA-N 338.403 4.187 0 1 EIAF C[C@@]1(c2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527658 USXCELYKJJEJLJ-NRFANRHFSA-N 332.403 4.322 0 1 EIAF CC(C)COc1cccc(OCc2nc3ccc(F)c(F)c3[nH]2)c1 587566104 VHMSNYBTDTUBPT-UHFFFAOYSA-N 332.350 4.455 0 1 EIAF Cc1cccc(-n2ncc3c(N[C@H]4C[C@H]4c4ccccc4)ncnc32)c1 621477844 PNPSBMPJCCVVSA-HKUYNNGSSA-N 341.418 4.092 0 1 EIAF Cc1cc(C(=O)NCc2ccc(F)cc2Cl)ccc1-c1cn[nH]c1 1772623250 CWKUJWGURSJFTK-UHFFFAOYSA-N 343.789 4.108 0 1 EIAF O=C(Nc1ccc2ccccc2n1)c1cnn(-c2ccccc2)c1Cl 1857539433 KLVZYMURCNQYOG-UHFFFAOYSA-N 348.793 4.326 0 1 EIAF O=c1c(OCCCCCO)coc2cccc(CC3CCCCC3)c12 1857744426 VNDKCGPTXXVPGE-UHFFFAOYSA-N 344.451 4.457 0 1 EIAF C[C@H]1[C@H]2C[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](C2)[C@H]2CCCCN12 263590651 FZRILUPTJULLHL-WTGZGRDKSA-N 332.419 4.026 0 3 EIAF NC(=O)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3)nc2c1 13612068 IZONSFLMWOQSAW-UHFFFAOYSA-N 329.359 4.121 0 1 EIAF COc1ccc2c(c1)C=C(CCN1CCN(c3ccccc3)CC1)CC2 13760540 HMRKDGYERNRWGG-UHFFFAOYSA-N 348.490 4.237 0 1 EIAF O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@@H]1CCCCN1 27524208 OAKOEIPZSOOLIY-SWLSCSKDSA-N 344.764 4.083 0 1 EIAF NCCCN(Cc1ccccc1)Cc1ccc(Cc2ccncc2)cc1 27716306 SYNQXFDABSCEFD-UHFFFAOYSA-N 345.490 4.023 0 1 EIAF C[C@@H](Sc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)cc1 32232088 INNLLOVXPZWYDT-SECBINFHSA-N 330.844 4.301 0 1 EIAF CCOC(=O)c1cnc2cc(N3CCCC3)c(Cl)cc2c1OCC 45302348 LTWSRLHXJNIHJK-UHFFFAOYSA-N 348.830 4.064 0 1 EIAF CCCCCN1C(=O)[C@]2(CCc3cc4c(cc32)OCO4)c2ccccc21 71341201 SKMITBUYSAXHIH-JOCHJYFZSA-N 349.430 4.184 0 1 EIAF CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1 100996140 FEMYXLZHLZHXFH-PPUGGXLSSA-N 338.451 4.005 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586885923 DNESZFHBHBAEPZ-LKFCYVNXSA-N 336.222 4.410 0 1 EIAF Fc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006768 RRBXJJZJTJCNIX-UHFFFAOYSA-N 330.160 4.384 0 1 EIAF Clc1cccc(C2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CC2)n1 587084806 TXKNTQQGQRNHBV-UHFFFAOYSA-N 339.613 4.393 0 1 EIAF N[C@H](N=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131528 MEXFYCQKWIGGHP-GOVJDZJHSA-N 342.349 4.168 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Br)nc3[nH]2)c1 587160367 BTFKLHDCOAYTLA-MNOVXSKESA-N 332.176 4.131 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCNc3ccc(Cl)cc31)O2 587380535 WBYZUUNZDPQLDF-IBGZPJMESA-N 342.826 4.297 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1F)O2 587381452 JDWMMIJZBTVCGU-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF CCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC 587401379 WJWYKAICABAWRO-GOSISDBHSA-N 341.407 4.081 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(C(C)C)nc1C)O2 587411615 DXRINCOMKZSHAD-SFHVURJKSA-N 330.453 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc(F)c1F)CC2=O 587465986 INJKHRWKQIJLPI-OAHLLOKOSA-N 334.318 4.035 0 1 EIAF COC(C)(C)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793343 NPGKUOISBRMRJS-QLJPJBMISA-N 344.268 4.153 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3ccc(F)c(C)c3[nH]2)cc1OC 587926215 LAJRYCALJTWPGN-LLVKDONJSA-N 328.387 4.374 0 1 EIAF Fc1ccc(-c2ccc3nnc(-c4cscn4)n3c2)cc1Cl 653756240 UMLFROLQMJJQHU-UHFFFAOYSA-N 330.775 4.312 0 1 EIAF CC(=O)c1cccc(Nc2cc3c(cn2)ncn3Cc2ccco2)c1 74388299 CNWORDLIHMDEDP-UHFFFAOYSA-N 332.363 4.019 0 3 EIAF CC(C)c1cc(O)c2c(c1O)[C@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1 1607891 MCMQSPNBTJWIEO-JZKQVHKSSA-N 330.424 4.287 0 1 EIAF biogenic Cc1coc2c1C[C@]1(C)[C@H](CC[C@@H](OC(=O)CC(C)C)[C@H]1C)C2=O 5648084 QSECTAGZNRNMBK-CQNRTFJUSA-N 332.440 4.337 0 1 EIAF biogenic NC1=Nc2cc(C(F)(F)F)ccc2Sc2nc3ccccc3n21 17255520 MDBMSKHVSJETMQ-UHFFFAOYSA-N 334.326 4.014 0 1 EIAF CCCCC[C@@H](O)/C=C/C[C@@H]1CCc2c(cccc2OCC(=O)O)C1 26010548 HTOCRZZCAFEVBG-JUCJDPDUSA-N 346.467 4.142 0 1 EIAF CC(C)C(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)C 28237310 UEYJURIORREEAK-HZPDHXFCSA-N 343.298 4.465 0 1 EIAF Clc1ccc(CCCCN2CCC(Cc3c[nH]cn3)CC2)cc1 28563834 QVDDYWBQAKTMIO-UHFFFAOYSA-N 331.891 4.341 0 1 EIAF O=c1c2ccccc2c(-c2ccc(F)cc2F)nn1-c1ccccc1 33675088 GLVXBXLNXWKFGW-UHFFFAOYSA-N 334.325 4.331 0 1 EIAF COc1ccc([C@H]2C[C@@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 45298377 VPKCLHWPSFNHSU-CABCVRRESA-N 342.826 4.224 0 1 EIAF CCO[P@](=O)(NC(C)C)Oc1ccc(C)cc1Br 72124379 JCIKRWGYQWMBEZ-GOSISDBHSA-N 336.166 4.279 0 1 EIAF C[C@@]1(c2cccc(OCCCc3ccccc3)c2)CCSC(N)=N1 96174360 YJLHAJGUJSJUTR-FQEVSTJZSA-N 340.492 4.365 0 1 EIAF O=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCCCC2)cc1 96914952 HMLJEMLPQCBDEX-UHFFFAOYSA-N 348.446 4.302 0 1 EIAF CC(C)(C)c1cc(O)nc(SCC(=O)c2ccc(Cl)cc2)n1 100898393 BHGPTMBVUATDML-UHFFFAOYSA-N 336.844 4.108 0 1 EIAF Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 169718556 SDYADZMWEXRUPW-ZDEQEGDKSA-N 333.309 4.294 0 1 EIAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(Oc3ccccc3)cc2)C1=O 169720228 ZRNQPLQZPDKUGI-YJYMSZOUSA-N 326.417 4.259 0 1 EIAF O=C(NC1Cc2ccccc2C1)c1cc2c(Cl)cc(Cl)cc2[nH]1 219466990 HVEGQCXFHXQSRH-UHFFFAOYSA-N 345.229 4.372 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cncn1 261087787 CWWOHKJKERHVSH-FJEWGBTGSA-N 339.483 4.053 0 1 EIAF Cc1cccc(Cn2cc(-c3ccc(-c4cccnc4)cc3)cn2)n1 299832129 RVTQQEQESQUGDI-UHFFFAOYSA-N 326.403 4.364 0 1 EIAF Cc1ccc2c3c(cc(-c4csc(=N)[nH]4)nc13)-c1ccccc1C2=O 587101129 DJRUFCXSZTXBFC-UHFFFAOYSA-N 343.411 4.291 0 1 EIAF CN(C)c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)nc1 587194532 IFSBMQYKDWCUAJ-UHFFFAOYSA-N 338.358 4.303 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 587353774 OWVPNIZRFLVZGT-FJQKHHLYSA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C(F)(F)F)c(C)s1)O2 587382242 KZAKECWRDKEMDF-NSHDSACASA-N 342.342 4.067 0 1 EIAF O=C1C[C@@H](c2[nH]c3nccc-3cc2F)Oc2c1ccc1c2CCCC1 587507272 VJXQZTGBFSKDOS-KRWDZBQOSA-N 336.366 4.239 0 1 EIAF CN(C)CC1([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 587507741 RZIGEDHFUQIPQN-LJQANCHMSA-N 327.468 4.021 0 1 EIAF O=C1C[C@]2(CCN(c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587512535 DYIBGRWHFRKUAK-QFIPXVFZSA-N 333.431 4.180 0 1 EIAF COC(=O)c1c(Cc2ccccc2F)[nH]c2cc(Cl)c(F)cc12 587629040 DBONWBBDHFJOJP-UHFFFAOYSA-N 335.737 4.477 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCc1ccccn1 587863263 WMJMGXRNQFSTTI-UHFFFAOYSA-N 347.340 4.215 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)ccc1OC 587871489 IYDRPNXQNJDBOJ-UHFFFAOYSA-N 326.371 4.394 0 1 EIAF O[C@@H]1/C(=C/c2ccc(-c3ccccc3)cc2)[C@H](O)Oc2ccccc21 1911571640 LANYTQSWWGHIRV-MFMLGWBHSA-N 330.383 4.181 0 1 EIAF C[C@H](NCc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356299887 PWYLGVHIGCRYQH-LBPRGKRZSA-N 340.354 4.030 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@H]2CC[C@@H]34)C1 2356599872 PHZBMHANCWAUSO-CWAYHHJTSA-N 328.544 4.127 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253778365 HQWPPVLSHLFTDY-CIJYDTQTSA-N 329.484 4.180 0 3 EIAF Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3cccc(Cl)c3)CC2)cc1 13814490 QQKKMLCPOLDCOH-OXQOHEQNSA-N 344.861 4.405 0 1 EIAF CCCCCc1ccc([C@@H](c2ccns2)N2CCN(C)CC2)cc1 28250032 VZYNRRAIIQXQBP-FQEVSTJZSA-N 343.540 4.213 0 1 EIAF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1N 28710726 QFRLEIGUZSIUTP-UHFFFAOYSA-N 331.375 4.254 0 1 EIAF CCC(=O)Nc1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1 40915794 LOMWKXCERLJDPO-UHFFFAOYSA-N 336.435 4.150 0 1 EIAF O[C@H](CNC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 45303005 HBFZRYCJHBPJDA-RBXDXQPVSA-N 339.401 4.297 0 1 EIAF NC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 49419321 YHMHQHRONZAHMG-UHFFFAOYSA-N 329.812 4.306 0 1 EIAF CC(C)Cc1ccc([C@H](C)C(=O)Oc2ccc(CCO)cc2)cc1 73297688 YNCFJJJQCGMSHY-INIZCTEOSA-N 326.436 4.129 0 1 EIAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@H]3CC[C@@]21C 73351224 QULFQPVZXZYVKS-FDLPIURMSA-N 343.467 4.493 0 1 EIAF O=C(O)CC1=C/C(=C\c2ccc3cccnc3n2)c2ccc(F)cc21 84670099 GVPDSSVGRYMTFR-UKTHLTGXSA-N 332.334 4.181 0 1 EIAF COc1ccc(/C=C/C=C/c2ccc(OC)c(OC)c2)cc1OC 96940219 QUXHYEYBMSKSMJ-KQQUZDAGSA-N 326.392 4.448 0 1 EIAF COc1ccccc1CN[C@H]1[C@H]2CCN[C@@]1(c1ccccc1)CC=C2C 101500983 HMCACXWESDLLOQ-ACIOBRDBSA-N 348.490 4.008 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 169340186 JTVHQWNUCRXUJU-IDRWLXGUSA-N 336.472 4.414 0 1 EIAF O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCCc2ncsc21 220875206 ZTOQMMKQYQIRNO-SNVBAGLBSA-N 341.263 4.186 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C 238731714 WXXUTDJJIXJPLZ-DHGOMEPGSA-N 330.424 4.316 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@H]1OCC2=O 253849555 COHCBZXNSQMOML-UGESXGAOSA-N 340.463 4.422 0 1 EIAF Cc1cc(NCc2nccs2)n2nc(C)c(-c3ccccc3)c2n1 473155216 QIJOEDRLRMBCIQ-UHFFFAOYSA-N 335.436 4.082 0 1 EIAF Cc1ccc2c(ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c32)n1 586880304 PFWYCEWBGVPWCX-XFFZJAGNSA-N 329.359 4.184 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586880828 SYHQPVBCASVEGB-CMDGGOBGSA-N 348.280 4.226 0 1 EIAF CCOC(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586895930 DTKISICFPRYQNS-UHFFFAOYSA-N 338.407 4.011 0 1 EIAF CCc1oc2ccccc2c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586904024 PNXMOOWNPMTYRD-UHFFFAOYSA-N 333.391 4.240 0 1 EIAF O[C@H](c1ccc(Br)cc1)c1nc2cccc(Cl)c2[nH]1 586997346 PXZSPBFKNIWRRZ-CYBMUJFWSA-N 337.604 4.061 0 1 EIAF N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl 587058638 YDKZVJWCHLJXBE-QMMMGPOBSA-N 343.711 4.015 0 1 EIAF Fc1c(Br)cc2nc(-c3ncccc3Cl)[nH]c2c1F 587065037 JYPLEGLYSFPQPF-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(C)cc2[nH]1 587065206 MKAWMDACUKIIME-UHFFFAOYSA-N 344.798 4.233 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 587070024 ORGCUNARQUTLPQ-SNVBAGLBSA-N 342.782 4.291 0 1 EIAF Cc1c(-c2nccn2C)nc2cccc3c2c1-c1ccccc1C3=O 587105170 RDDSAEIVBKXWPC-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF COC(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106496 HTFCVWHVEHOGPJ-INIZCTEOSA-N 343.382 4.039 0 1 EIAF COc1ccc(Cc2nc3cc(Br)cc(C)c3[nH]2)c(F)c1 587149549 UZJZQZJXTOANPZ-UHFFFAOYSA-N 349.203 4.372 0 1 EIAF C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345410 IZHRIWPRTCSWDI-FPOVZHCZSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC(F)F)c1)O2 587382243 KZLZIOFTXWHVQP-AWEZNQCLSA-N 337.297 4.024 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](Oc3ccccc3)C1(C)C)O2 587404606 YHCPSSNQRSUWGG-GHTZIAJQSA-N 337.419 4.159 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccco3)s1)O2 587413872 QOHIVRASPIBNDE-AWEZNQCLSA-N 326.377 4.000 0 1 EIAF COc1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587506420 SILKYTUQHYPQKE-LJQANCHMSA-N 326.367 4.420 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587772607 OOJWNSAUBVTKPV-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF Cc1cccnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774517 WCRGXEIPOQMWIN-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587829320 QEHYWMJMQAOZHB-FVMDXXJSSA-N 338.220 4.367 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccs2)N1 587853751 RIILWTAIYCOUAR-XLKFXECMSA-N 326.234 4.273 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCSCC2)N1 587857726 MUOKYOJRKODQDV-VFZGTOFNSA-N 344.293 4.307 0 1 EIAF COc1ccc(/C=C\Cc2nc3c(F)cnc(Cl)c3[nH]2)c(OC)c1 587928572 DRKKBMWQEBKPCI-ARJAWSKDSA-N 347.777 4.024 0 1 EIAF Cc1nc(-c2ccc(-c3ccoc3)cc2)sc1-c1ccnc(N)n1 653840602 HGGMDRLXJYHKOI-UHFFFAOYSA-N 334.404 4.418 0 1 EIAF O=C(O)CCC[C@@H](O)C=CC=CCC=CCC=CCCCCCO 2356343121 IWYJGYZCHKEPCK-IBGZPJMESA-N 336.472 4.160 0 1 EIAF Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccccc3F)c2)c1 1006585 FIHPIIJMZIMDQR-UHFFFAOYSA-N 349.365 4.034 0 3 EIAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC 2483404 NUXFBQYWVFFNBQ-UHFFFAOYSA-N 330.428 4.178 0 1 EIAF CCCCC[C@H]1O[C@@H]1/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 12496417 WLMZMBKVRPUYIG-YBNIRDONSA-N 336.472 4.399 0 1 EIAF endogenous,in-man Cc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(Cl)cc1)CC3 13764626 MCJPCWOSNLXXLG-UHFFFAOYSA-N 339.822 4.313 0 1 EIAF O=C1Nc2cccc3c2[C@]1(CCCN1CCc2ccccc2C1)CCC3 13817839 QEGJKPGHYKWFRG-HSZRJFAPSA-N 346.474 4.051 0 1 EIAF O=C(CCC(=O)c1cccc(C(F)(F)F)c1)NC1CCCCC1 26847779 ZOPBIJHCHIOAKF-UHFFFAOYSA-N 327.346 4.117 0 1 EIAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)/C(=C(/O)OCC)[C@@H]1C 26943415 QRTJANVHDPJJEX-LAVFMPCWSA-N 343.423 4.268 0 1 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1nccs1 28712602 DKAOMRCHWZCVNF-NSHDSACASA-N 331.249 4.229 0 1 EIAF O=C1c2ccc(O)cc2CC[C@H]1Cc1ccc(Br)cc1 34053380 MPBTZIZBXTZBIR-ZDUSSCGKSA-N 331.209 4.143 0 1 EIAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(F)c1 40422864 CDUMSMGLCGECCE-UHFFFAOYSA-N 348.337 4.001 0 1 EIAF C[C@@]12CC[C@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@@H]1OCC2=O 40698227 COHCBZXNSQMOML-LGGPRVQUSA-N 340.463 4.422 0 1 EIAF Cc1cccc(-c2nc(Cn3cc(CCN)c4ccccc43)co2)c1 72141135 JXGUURNLLGKBOC-UHFFFAOYSA-N 331.419 4.154 0 1 EIAF NC(=O)c1nc(-c2ccc(Oc3ccccc3)cc2)c2ccccc2n1 115760165 XVZXLAOBCLSLPN-UHFFFAOYSA-N 341.370 4.188 0 1 EIAF CCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148196899 HXTDKYHYDDZJBS-UHFFFAOYSA-N 348.406 4.152 0 1 EIAF COc1cc(-c2ccc(O)cc2)c(O)c(OC)c1-c1ccc(O)cc1 238758837 OECHAPVPQZVLGG-UHFFFAOYSA-N 338.359 4.155 0 1 EIAF O=C1C=CC[C@H](/C=C/c2ccccc2)N1C(=O)/C=C/c1ccccc1 299835782 LQMHJLWIRIKRNV-WRELFPITSA-N 329.399 4.097 0 1 EIAF Cn1cnc2ccc(-c3noc(-c4ccc5ccccc5c4)n3)cc21 473134082 DSZINBKOPIVIFK-UHFFFAOYSA-N 326.359 4.444 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586886706 GOXPOSMEFSOUJJ-YMTOWFKASA-N 336.222 4.410 0 1 EIAF CC1(C)COc2c(-c3nc4cncc(Br)c4[nH]3)cccc21 586912515 VBKJWXYEASQQPM-UHFFFAOYSA-N 344.212 4.057 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(C)cnc(Cl)c3[nH]2)s1 587014053 GRIBWXUFSOIICB-VIFPVBQESA-N 336.848 4.449 0 1 EIAF c1ccc(C[C@@H]2N[C@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 587040224 GMADFWARHKZNDI-ZWKOTPCHSA-N 346.459 4.057 0 1 EIAF Cc1nn(C)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104219 FGCRPLBBUPJABE-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1sc(F)cc1C=O)CC2=O 587471324 KXOMOGDXBVYQAL-AWEZNQCLSA-N 334.368 4.064 0 1 EIAF COc1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504376 IWFNMVOGBSOGKB-IBGZPJMESA-N 326.367 4.420 0 1 EIAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506031 NTWYWUSRGFCCNY-FQEVSTJZSA-N 339.410 4.477 0 1 EIAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CC(F)F 587507293 PRQAPTKXGZAGGY-QGZVFWFLSA-N 346.377 4.042 0 1 EIAF CC1(C)Cc2n[nH]cc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521272 BGADHAGQUQJDMS-NRFANRHFSA-N 336.435 4.122 0 1 EIAF CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587522501 IHMOHEKCHPFEPA-WIYYLYMNSA-N 326.436 4.249 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(F)c(F)c2[nH]1 587925988 FCFXPWOKYZFYPA-LLVKDONJSA-N 332.350 4.400 0 1 EIAF COc1ccc2c(c1)[C@@]1(CC[C@@H](C(=O)O)C(C)(C)C1)N(C(C)C)CC2 962089741 HTBBSLRSJOHPEG-UWJYYQICSA-N 345.483 4.068 0 1 EIAF Cc1ccc(CC[C@]2(C3CC3)NCCc3nc4ccccn4c32)cc1 962987245 KTWYNFIVOJIVOZ-JOCHJYFZSA-N 331.463 4.027 0 1 EIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](C2CCCCCCC2)N1 963228820 JIRQOIKWIFMRNP-PMACEKPBSA-N 338.451 4.235 0 1 EIAF CCc1nc(N)cc(C)c1-c1cc(F)cc2c(C)c(CCOC)[nH]c12 1772641023 PBJLHJAMFQIIOG-UHFFFAOYSA-N 341.430 4.319 0 1 EIAF COC(=O)c1cn(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1 1857766570 SDXBUYRGPZYTLQ-JTCWOHKRSA-N 331.460 4.484 0 1 EIAF CCCC=C[C@@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 2356788651 CFSCKWTUQVLIEG-KXBFYZLASA-N 346.423 4.189 0 1 EIAF Cc1nc2c(ccc3nc(NC(=O)Cc4ccccc4)sc32)s1 4173995 PNEXVEIQNSGDMV-UHFFFAOYSA-N 339.445 4.396 0 3 EIAF CC(=O)c1ccccc1N[C@H](C(=O)NC(C)(C)CC(C)(C)C)C1CC1 206051252 JOFCARYWYMUODT-SFHVURJKSA-N 344.499 4.411 0 3 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@H]3CC[C@@]12C 254103700 WVBCLXPZFRTXNR-TWBMURNFSA-N 334.431 4.152 0 3 EIAF C[C@@H]1C[C@]2(C)C(=O)N(c3ccccc3)C(=N)[C@@H]2N(C)c2ccccc21 5550900 SIOFKKGTXABFIO-IBZMOEQTSA-N 333.435 4.029 0 1 EIAF COC(=O)Cc1ccccc1Oc1c(N)cc(Cl)cc1Cl 26403731 LHSZYOZREKTHGS-UHFFFAOYSA-N 326.179 4.083 0 1 EIAF COc1c(-c2ccc(C(C)C)cc2)oc2ccc(C(=O)O)cc2c1=O 26993896 MPRCFZJQAKUULA-UHFFFAOYSA-N 338.359 4.290 0 1 EIAF Clc1cccc(Cl)c1Cn1cnc2c(-c3ccco3)ncnc21 28475578 AFQIEIQHKSKWCO-UHFFFAOYSA-N 345.189 4.441 0 1 EIAF CC[C@@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 28524149 TWCNVEUVIYSIGS-LLVKDONJSA-N 331.466 4.050 0 1 EIAF COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccc(Cl)cc1)CC2 28826636 ONQIFMMBBXPCOG-CYBMUJFWSA-N 345.826 4.416 0 1 EIAF C[C@@]1(c2cccs2)CC(c2cccs2)=Cc2ncnc(N)c21 29046019 IEZRGAHPDGFKIG-KRWDZBQOSA-N 325.462 4.432 0 1 EIAF O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1cccc(Cl)c1 40422652 JUYYJLRJRVONMH-KRWDZBQOSA-N 336.774 4.454 0 1 EIAF O=C([C@@H]1CCCc2c1c1ccccc1n2CCF)N1CCCCCC1 82150766 RFWUQGQUOTWOHA-QGZVFWFLSA-N 342.458 4.433 0 1 EIAF COc1c(C2=NO[C@H](c3ccccn3)C2)ccc2c1C=CC(C)(C)O2 96142516 INEYUUJBBZUMOQ-SFHVURJKSA-N 336.391 4.140 0 1 EIAF Cc1ccsc1C1=NO[C@](C)(COCc2c(F)cccc2F)C1 98084792 OPEJGICLTMWFNQ-KRWDZBQOSA-N 337.391 4.435 0 1 EIAF CCCOc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 103243483 LDTGRZIMMWIAHU-UHFFFAOYSA-N 328.339 4.300 0 1 EIAF COc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCC2)c1 169304257 XEIBWMNIHZTHAS-UHFFFAOYSA-N 338.407 4.076 0 1 EIAF CCC(=O)N(c1ccccc1)[C@H]1CCN2CCc3ccccc3[C@H]2C1 253683908 INISVGFBGYOYGS-PZJWPPBQSA-N 334.463 4.191 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]([C@H]3CCN3)CC[C@H]12 253688725 KDUCRLNKTPIPLA-YNRUBXLXSA-N 329.528 4.288 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)cc2[nH]1 586881672 HUWLRGDJBHSMAL-VMPITWQZSA-N 343.180 4.194 0 1 EIAF OCCCCCCCCCCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 586894619 PBNVWHDLYIXZJZ-UHFFFAOYSA-N 344.459 4.191 0 1 EIAF O=C1c2ccccc2-c2cc(CC3(C(=O)O)CCC3)nc3cccc1c23 587207926 ZFQJJWCKTGQKNR-UHFFFAOYSA-N 343.382 4.244 0 1 EIAF Cc1c(Br)ccc2nc(/C=C/c3ccc(N)cc3)[nH]c12 587252319 XZSWRHTUTLCKKM-RUDMXATFSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(CC(C)C)c1Cl)O2 587380344 SUTXAOWJOCACGN-OAHLLOKOSA-N 347.846 4.098 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)s1)(C(C)C)[C@@H](C2)C3=O 587449853 DOTFRAWXFSWLKF-LIRRHRJNSA-N 328.433 4.364 0 1 EIAF O=C1C[C@H](c2c(F)cc(O)cc2F)Oc2c1ccc1c2CCCC1 587509083 WDSSDGYKIPBXDV-QGZVFWFLSA-N 330.330 4.256 0 1 EIAF COC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523510 JPBWIVUKGDLQLU-QVKFZJNVSA-N 342.435 4.023 0 1 EIAF CCOC(=O)c1ccc([C@@H]2NCCc3cc(C)c(F)cc32)c(Cl)c1 962147782 QJRMOSBHJKMFPY-SFHVURJKSA-N 347.817 4.199 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(C(C)(F)F)cc1 963612135 RYYSZYROGNKWMV-HXPMCKFVSA-N 347.405 4.439 0 1 EIAF CCc1ccccc1-c1cccc2cc(CNCC(=O)O)sc12 1772604520 ZQBNOKVAXDOHIF-UHFFFAOYSA-N 325.433 4.305 0 1 EIAF CCn1cc(-c2csc(-c3cncc(NC(=O)C4CC4)c3)c2)cn1 1857766281 LYZIEZMQCUJZQB-UHFFFAOYSA-N 338.436 4.042 0 1 EIAF Cn1c(NCc2ccccc2)nc2cc(-c3ccccc3)sc2c1=O 61907405 UJJNDPAETVBTIR-UHFFFAOYSA-N 347.443 4.274 0 3 EIAF CCN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3C[C@@H]12 15424 TXJSVDRPBGRIFY-CTNGQTDRSA-N 336.435 4.206 0 1 EIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)cc1 776278 JRNXIJLGZKBLAU-UHFFFAOYSA-N 344.455 4.424 0 1 EIAF CN(CCCN1CCCCC1)c1c2c(nc3ccccc13)CCCC2 13472657 OPIYSQMEONMIPR-UHFFFAOYSA-N 337.511 4.426 0 1 EIAF CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1 13684091 WPJVKYVAARSXKN-UHFFFAOYSA-N 336.262 4.320 0 1 EIAF CC1(C)C=CC(=O)[C@](C)([C@@H]2CC[C@@](C)(Cl)[C@@H](Br)C2)O1 14918934 PXPRNVNJRBIVSF-BVIHXZOGSA-N 349.696 4.240 0 1 EIAF biogenic COc1cc(O)ccc1C(C)(C)C(C)(C)c1ccc(O)cc1OC 28756165 WUYRTOISDVXTHU-UHFFFAOYSA-N 330.424 4.370 0 1 EIAF COc1cc2c(cc1Br)CC[C@@H]1[C@H]2[C@@H]1c1ccncc1 36289336 BKRNEVWSNKCMMT-JCURWCKSSA-N 330.225 4.296 0 1 EIAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1 45319882 GTJXDICXFBBDIR-NRFANRHFSA-N 347.414 4.373 0 1 EIAF O=C(O)[C@H]1CC[C@H]2C[C@H](C(c3ccccc3)c3ccccc3)CCN2C1 58558987 RUPOWHOOSCMNSP-HKBOAZHASA-N 349.474 4.394 0 1 EIAF COc1cc2ncnc(Oc3ccc(F)c(Cl)c3)c2cc1OC 64448384 FRTNWIZUWYFSFX-UHFFFAOYSA-N 334.734 4.232 0 1 EIAF CCCCCn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 82185770 SOHNXLDPGVYETE-UHFFFAOYSA-N 329.492 4.427 0 1 EIAF NC1(c2ccc(-c3c(-c4ccccc4)ccn4ncnc34)cc2)CCC1 84705477 SVMKTIMVFDYDLB-UHFFFAOYSA-N 340.430 4.401 0 1 EIAF Nc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 96905868 DQVMCKAWDPWSMS-DHDCSXOGSA-N 344.823 4.159 0 1 EIAF Cc1nc2c(c(N(C)c3cccc(Br)c3)n1)C[C@H](C)C2 96934245 RLAJJTQZDWIKNS-JTQLQIEISA-N 332.245 4.050 0 1 EIAF COc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1 96938731 CKPNFEDSKIITEK-UHFFFAOYSA-N 334.375 4.116 0 1 EIAF Cc1ccccc1N1CCN(c2nc3ccccc3n2CC2CC2)CC1 169304260 IVQVSICGEXJWRU-UHFFFAOYSA-N 346.478 4.081 0 1 EIAF Oc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)n1 169726264 UXZJVRXEHFRETN-MRXNPFEDSA-N 339.395 4.344 0 1 EIAF CCCNc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1O2 473090680 OWSAJFVYRYUNEE-NRFANRHFSA-N 347.418 4.079 0 1 EIAF CCc1ccc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 586964280 WUIAPOLRXXRHHM-AWEZNQCLSA-N 328.441 4.173 0 1 EIAF CSc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586995336 KLJPTQFQYRBMRX-CQSZACIVSA-N 349.253 4.129 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587062020 NNOZMHJLZDTVJR-ZBFHGGJFSA-N 344.802 4.470 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1C1CCOCC1)O2 587411821 KQNZMSYHEIUIKF-FQEVSTJZSA-N 337.419 4.178 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)OC1(C)C)O2 587414966 WWSIPTGZDNURGL-GHTZIAJQSA-N 337.419 4.221 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)c(Cl)cc(C)c1O)[C@@H](C2)C3=O 587420838 JEIMRFSENCPKAN-HXPMCKFVSA-N 344.794 4.160 0 1 EIAF O=C1C[C@H](c2cnc3ccc(F)cn23)Oc2c1ccc1c2CCCC1 587510202 VLTBLQLSTMGIGO-GOSISDBHSA-N 336.366 4.059 0 1 EIAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc2c(c1)OCO2 587627264 RDODGBQJGHYRSX-UHFFFAOYSA-N 342.782 4.419 0 1 EIAF Oc1cc(-c2ccccc2)nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587876014 YEQMCVHAGMXPCN-UHFFFAOYSA-N 346.321 3.947 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1cc(C(F)(F)F)cnc1Cl)NCC2 962090020 IDKAAFPHQPUQTR-CQSZACIVSA-N 344.739 4.436 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@@H](C)c1ccccc1 963037964 RGTNORYSQVEWQU-OYHNWAKOSA-N 332.447 4.408 0 1 EIAF Cc1cc(OCCCN2CCN(c3ccccc3)CC2)ccc1Cl 1857538067 NCKUXAJTZOKPEP-UHFFFAOYSA-N 344.886 4.240 0 1 EIAF COc1cc(-c2n[nH]cc2-c2ccc(C)c(F)c2)cc(OC)c1OC 1857599977 OGNLEYJDYHTVOF-UHFFFAOYSA-N 342.370 4.217 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)c3c(C)coc3C[C@@H]12 2356607907 WEHPANHORJZTCX-GFYLYECJSA-N 332.440 4.108 0 1 EIAF CC(=CCCC(C)=CC(=O)O)CC=C[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356747585 GNUKGZCDYOYXSD-XLIONFOSSA-N 336.472 4.399 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 13443778 FMPNFDSPHNUFOS-IKYUPOPPSA-N 345.527 4.419 0 1 EIAF Clc1cc2c(c(-c3ccccc3Cl)c1)N1CCNCC[C@H]1C2 13535496 PJATZGLSONELKB-AWEZNQCLSA-N 333.262 4.385 0 1 EIAF CCn1nc(-c2ccc(F)cc2)c2c1CCN(Cc1ccccc1)C2 28012690 UNXPSKLHDBNCTL-UHFFFAOYSA-N 335.426 4.267 0 1 EIAF Cc1ncccc1Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cn1 40896508 OPUPDKNBTJWYDR-UHFFFAOYSA-N 344.374 4.311 0 1 EIAF CCOC(=O)c1c(C)nc(Nc2ccccc2O)nc1-c1ccccc1 71281844 QURPTODHNXZFSQ-UHFFFAOYSA-N 349.390 4.078 0 1 EIAF COc1ccc(OC)c(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c1 82167833 IJTOBMGFPGYHNK-GOSISDBHSA-N 347.418 4.260 0 1 EIAF CCOC(=O)c1cc2c3cc(OCc4ccccc4)ccc3nc-2c[nH]1 100652884 UKGVLKDJTMUFNB-UHFFFAOYSA-N 346.386 4.423 0 1 EIAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccccc4c1)CN32 100808764 AUASRRWSKHUBGZ-GPRSZCNVSA-N 347.458 4.269 0 1 EIAF CC(C)c1c(O)ccc2c1C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 146171951 WDDXJPVDQFRGNC-YSGRDPCXSA-N 330.424 4.251 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 238753640 VVCXPQBVJROEEN-HJWRDXIDSA-N 332.440 4.047 0 1 EIAF Cc1cc(O)ccc1[C@H]1CC[C@H](NC(=O)CCc2ccccc2)CC1 253656648 WHIWOTLPHYDESG-WGSAOQKQSA-N 337.463 4.476 0 1 EIAF CC/C=C/CCOC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253693831 AEUZMXBITBLKGU-MQSSFBOBSA-N 336.472 4.354 0 1 EIAF Cc1cc(-c2nc3ccncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880550 QRAOWVPDAIISMM-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586887838 ADIOOAWBBLRYFX-ZDUSSCGKSA-N 342.704 4.022 0 1 EIAF O[C@H]1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586904283 SOWUIKFAEWVEIL-RISCZKNCSA-N 336.288 4.290 0 1 EIAF c1coc(-c2nc(Cc3nc4cnc5ccccc5c4[nH]3)cs2)c1 587018272 XSKAOEMVDASJGE-UHFFFAOYSA-N 332.388 4.418 0 1 EIAF CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587052659 ZYFKKJYVCLDCPR-CQSZACIVSA-N 343.858 4.462 0 1 EIAF Cc1ccnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587076970 OJTSQJSRIHAQBR-HNNXBMFYSA-N 326.831 4.257 0 1 EIAF Cc1c(F)ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 587082342 OQZPIUDHZKENLZ-UHFFFAOYSA-N 331.778 4.264 0 1 EIAF N=c1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c[nH]1 587095291 UVXNHAMMESVGJK-UHFFFAOYSA-N 346.234 4.075 0 1 EIAF C[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1C(F)(F)F 587096984 FXJSAPRPPGFQNA-SECBINFHSA-N 334.297 4.462 0 1 EIAF Cc1c(Cl)ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587173121 WKCFZEXCBOCTQV-SFHVURJKSA-N 344.773 4.292 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CNCC3)c1 587362091 DJNCTPOIQUCIIX-UHFFFAOYSA-N 330.387 4.302 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccnc3)cc1)O2 587394117 COTRSORMABEXJC-HXUWFJFHSA-N 346.386 4.471 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O 587442389 JFNGISXGCPEVMM-PGRDOPGGSA-N 349.430 4.174 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1cccc(O)c1)CC2=O 587478373 ASZYNQWRERWKFA-FQEVSTJZSA-N 326.392 4.321 0 1 EIAF Cc1cc(C)c([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962719321 VQEDNGLKSCTHGX-MGPUTAFESA-N 342.483 4.291 0 1 EIAF Cc1nc(N2CCCCC2)sc1[C@@H]1NCCc2c1sc(C)c2C 963014964 WIWSYURNWHTXEK-HNNXBMFYSA-N 347.553 4.355 0 1 EIAF Cc1cccc(-c2cc(NC(=O)c3ccc(C)cc3O)cnc2O)c1 1857631830 PSXORUOLWXZNGE-UHFFFAOYSA-N 334.375 4.029 0 1 EIAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1c(O)nn2ccccc12 1857644517 BOURAKVVPNVQQX-UHFFFAOYSA-N 345.358 4.085 0 1 EIAF CN(Cc1nnc(-c2ccco2)s1)Cc1c(F)cccc1Cl 1857756638 KATTVJBIPZLJCL-UHFFFAOYSA-N 337.807 4.223 0 1 EIAF COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC 1545857 ZQSHUGGLESWJFP-UHFFFAOYSA-N 341.363 4.062 0 1 EIAF in-vivo CCCCC/C=C\C[C@@H]1O[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O 12496405 SGTUOBURCVMACZ-NGSXCRDOSA-N 336.472 4.399 0 1 EIAF endogenous,in-man C[C@@H](Cc1ccccc1)NC(=O)Oc1cccc([C@H](C)N(C)C)c1 13981936 HKJROXHSAHRDAO-HOTGVXAUSA-N 326.440 4.029 0 1 EIAF Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCCCCC1 28818481 ZRPGGNHMOAWEPI-UHFFFAOYSA-N 328.504 4.423 0 1 EIAF C[C@@H]1CC[C@@]23CO[C@@H](C=C2C(=O)O)C[C@@H]3[C@@]1(C)CCc1ccoc1 38321699 YNNJQADRYQOWDM-SYOYXXOUSA-N 330.424 4.065 0 1 EIAF biogenic,in-vitro CC1(C)[C@H]2CC[C@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@@H]1C2 72114618 ONBSSNHALHDLOT-VWYCJHECSA-N 326.362 4.298 0 1 EIAF CCOc1cccc(-c2cc(NCCc3cccc(OC)c3)ncn2)c1 82162058 MJOWPHIOSDJMMR-UHFFFAOYSA-N 349.434 4.206 0 1 EIAF Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccsc2)nn1 95557679 UYQMNJPXCUTJKB-MRXNPFEDSA-N 338.461 4.409 0 1 EIAF Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c12 95592055 HYNWOJWHDVBYOE-UHFFFAOYSA-N 327.750 4.229 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42O3 100862924 JTVHQWNUCRXUJU-CNRZMOCLSA-N 336.472 4.414 0 1 EIAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 168920849 BWKAZVUUZYDEKI-JTQLQIEISA-N 339.782 4.008 0 1 EIAF COc1cc(-c2cccc(OCc3ccccc3)c2)cc(C=O)c1O 169699589 JNYUABSWGYULMD-UHFFFAOYSA-N 334.371 4.459 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586887176 ICJXWEDXUJNXAA-MGPLVRAMSA-N 346.333 4.030 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586912819 PIHDDEDXWSKJAD-OIBJUYFYSA-N 345.187 4.276 0 1 EIAF COc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587024009 ZBQYQQZNLYYZIC-UHFFFAOYSA-N 346.412 4.042 0 1 EIAF Cc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587077217 RWPIWIZHSICEGW-UHFFFAOYSA-N 338.798 4.360 0 1 EIAF Fc1cccc(C2(F)CC(c3nc4cc5c(cc4[nH]3)OCCO5)C2)c1 587131801 UIOMFOHCFTYWTA-UHFFFAOYSA-N 342.345 4.216 0 1 EIAF COc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133714 AJXSSEHNEXJYJN-HYXAFXHYSA-N 340.251 4.437 0 1 EIAF CN(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587214188 XAQYRFOAPPSNIY-LJQANCHMSA-N 342.442 4.047 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 587353776 OWVPNIZRFLVZGT-PJKJAJBBSA-N 338.378 4.449 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4cccc(Cl)c41)[C@@H](C2)C3=O 587423042 SREKMUVUYTYREK-VBKZILBWSA-N 340.806 4.328 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O 587424877 WVPTTYKFWJSQLK-DYZYQPBXSA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(COCc1ccccc1)CC2=O 587479211 MCBUHFXCROMJOD-OAQYLSRUSA-N 340.419 4.285 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2)N1 587731911 MAGYRFXTDTWVCG-ABKXIKBNSA-N 338.195 4.351 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 587784769 JBJGPDAWQXXEPM-KBPBESRZSA-N 340.810 4.468 0 1 EIAF CCCC[C@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587813791 PUQLQCWBYRPYBA-QLJPJBMISA-N 342.252 4.097 0 1 EIAF Fc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)c(F)c1 587874387 YKXYLNZXCPVOBR-UHFFFAOYSA-N 347.321 4.318 0 1 EIAF COc1ccc(CCCc2nc3cccc(Cl)c3[nH]2)cc1OC 587927728 XEWTVJAAEZXXCN-UHFFFAOYSA-N 330.815 4.409 0 1 EIAF C[C@H](CCc1nc2ccc(OCc3ccccc3)cc2[nH]1)CC(=O)O 587963556 ZIDKVWFILMTTGH-CQSZACIVSA-N 338.407 4.185 0 1 EIAF CC(C)C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1857535940 LDBTZICVDXWKTR-NRFANRHFSA-N 347.462 4.395 0 1 EIAF Cc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1 1857556207 OAHJKXSYPKSFRP-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF NC(=S)c1cccc(-c2cn(C3CCC3)c3cc(CO)ccc23)c1 1857611496 JZJYBYULSUQEDV-UHFFFAOYSA-N 336.460 4.160 0 1 EIAF CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)COC3=O)cc1 1857647159 AQVCFBUQGMNYDI-CQSZACIVSA-N 337.419 4.298 0 1 EIAF COc1cc(C=CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1O 2356601263 PKAIECBWQZFYRP-WIBUTAKZSA-N 330.424 4.172 0 1 EIAF COC[C@@H](CC=Cc1ccc(O)cc1)[C@@H](OC)c1ccc(O)cc1 2356681321 PYPQUQKGAGXEHZ-XLIONFOSSA-N 328.408 4.151 0 1 EIAF CC[C@@H]1C[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@H]4CCN(C2)[C@@H]13 2356787473 UYDUJNIYABBEKZ-FXUUAMGJSA-N 340.467 4.014 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(CC)[C@@H]1C2 3804236 XWDNADYVTFQMOY-PKOBYXMFSA-N 330.472 4.089 0 1 EIAF CCCCNC(=O)OCCCCCCCCOC(=O)NCCCC 28365523 OHCUGEXUDAEKQB-UHFFFAOYSA-N 344.496 4.380 0 1 EIAF O=C(COc1ccccc1)N1CCS[C@H]1c1ccc(C2CC2)cc1 40764245 ABJBWPXOBRDJNU-FQEVSTJZSA-N 339.460 4.217 0 1 EIAF COc1ccc(CCCCC(=O)C(F)(F)C(F)(F)F)c(OC)c1 96915460 XFXSRFOZIZVDNU-UHFFFAOYSA-N 340.288 4.183 0 1 EIAF O=C(Nc1ccc(C(=O)O)cc1)Nc1nc2ccc(Cl)cc2s1 321131191 KYFDIOOCZMQBNF-UHFFFAOYSA-N 347.783 4.292 0 1 EIAF O=C1c2ccccc2-c2c(C3CCOCC3)cnc3ccc(O)c1c23 586990144 DEQMGRNFBKOBNG-UHFFFAOYSA-N 331.371 4.046 0 1 EIAF Clc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006608 JKQJHSOBXORWNK-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF Clc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)nc1Cl 587085124 YNPXRAARNMUVTG-UHFFFAOYSA-N 336.178 4.093 0 1 EIAF CCOC(=O)Cc1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253759 OWSMDGJNZSDKMK-UHFFFAOYSA-N 345.402 4.071 0 1 EIAF COC(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361911 FJGBVTCCPJHEAC-UHFFFAOYSA-N 333.343 4.443 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(-c3ccccc3)c1)O2 587395840 UUZGXPSJHWPUBC-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OC(C)C)O2 587402023 VJBZNFHWTATMJL-HXUWFJFHSA-N 325.408 4.245 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccs3)n1)O2 587413870 QLSHDTWBEGHLSU-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O 587421431 LXNLPDHIXYABFI-LIRRHRJNSA-N 328.795 4.320 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)n[nH]1)CC2=O 587487965 WVGVESNUUFXWSD-MRXNPFEDSA-N 328.412 4.072 0 1 EIAF Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccco1 587516437 STPJMMIBJFKICI-HXUWFJFHSA-N 348.402 4.265 0 1 EIAF CSC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCC1 587614680 UJFBAVRRTKLTOI-QAPCUYQASA-N 342.416 4.008 0 1 EIAF Cc1cc(C)cc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873759 LRKCLNSVBDHBMI-UHFFFAOYSA-N 338.338 4.131 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Cl)nc2[nH]1 587934691 MKNRQFIXUQOJDQ-UHFFFAOYSA-N 325.799 4.192 0 1 EIAF COc1ccccc1C(=O)Nc1cccc(Oc2cccc(O)c2)c1 1857760204 XUMQXMGQQHFADT-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF COc1ccc(C2=C(C)[C@@H](C)Cc3cc4c(cc32)OCO4)cc1OC 2356645901 IIJAVQSUNJGRAT-LBPRGKRZSA-N 338.403 4.447 0 1 EIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3C=C[C@@H]4C[C@@]3(CC[C@H]12)C[C@]4(C)O 2356650966 YAEBBOYLVMTKML-CJJLBDBPSA-N 346.511 4.489 0 1 EIAF COc1cccc([C@@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 61907857 KQKQOERQZXAHFJ-MRXNPFEDSA-N 333.359 4.179 0 3 EIAF O=C1c2cccc3cccc(c23)[C@H](c2nc3ccccc3[nH]2)N1C1CC1 95600236 RJKAPDWAFRLNKP-HXUWFJFHSA-N 339.398 4.424 0 3 EIAF COc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673142 YUXRXBDDQDZQBQ-HRQPNYTOSA-N 341.451 4.107 0 1 EIAF C[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Cl)c(Cl)c1 29415014 WITAKKXFGJUOGA-RAQOOLMWSA-N 342.266 4.265 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 38883701 JTVHQWNUCRXUJU-BONJLBFOSA-N 336.472 4.414 0 1 EIAF Nc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1 84616412 WLSKJZMVTZTKPL-UHFFFAOYSA-N 330.313 4.488 0 1 EIAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cn3)[nH]c2c1 113982088 QICZIPSVADBEQO-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF CN1CCC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 169300638 DLLCKSSZJVZCNE-KBFCKHRLSA-N 334.507 4.352 0 1 EIAF O=C1O[C@H](c2ccncc2)CC(O)=C1Sc1ccccc1Cl 299828054 GRSASSVFGHPRSD-ZDUSSCGKSA-N 333.796 4.285 0 1 EIAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCCO 299837291 PVUSQZQVEAPKRE-FDFHNCONSA-N 329.528 4.402 0 1 EIAF Cc1c(Br)cc2[nH]c(-c3ccc(CO)cc3)nc2c1C 586895425 GNFYEFITGUMNSO-UHFFFAOYSA-N 331.213 4.102 0 1 EIAF COc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1C 587016804 DRYOAAPFVNRVGB-UHFFFAOYSA-N 325.393 4.187 0 1 EIAF Cc1c(F)ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587091217 GWHDWMLCPUFJBA-UHFFFAOYSA-N 325.265 4.014 0 1 EIAF Cc1c(F)ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 587116535 GMNRDUUNSPOUJU-UHFFFAOYSA-N 332.688 4.083 0 1 EIAF CC(C)(C)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2n1 587157519 NTJSCCXHTJYVPI-UHFFFAOYSA-N 349.207 4.219 0 1 EIAF C[C@@]1(c2nc3cc(Cl)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587158901 YWYKVRTVEJYKJN-KRWDZBQOSA-N 347.752 4.286 0 1 EIAF COc1cc2c3c(c1)O[C@@H]([C@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587417895 FOZLDNIWRJIQPE-XAILHKCVSA-N 328.795 4.268 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3c[nH]cc31)CC2=O 587481763 IAHSSSJRDPPJQJ-FQEVSTJZSA-N 325.408 4.260 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587610750 RJVZDCKBUODVHD-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc([C@H](C)CC)cc2c1C 587641084 FDANSRYYJADQRS-KAECEXQPSA-N 328.456 4.455 0 1 EIAF FC(F)(F)c1ccc(/C=C/CNCC2=CO[C@@H]3C=CC=C[C@@H]23)cc1 1772579582 GYXZAGMMDDXFGS-UYLIBMQOSA-N 333.353 4.333 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]12O 2356665776 NLCYQGGPCKLRKG-FCXXMXSZSA-N 346.467 4.122 0 1 EIAF CN(C)c1ccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)cc1 61906791 CRHVUSLUWJYYQI-QGZVFWFLSA-N 346.402 4.236 0 3 EIAF CCONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 12354806 SCEARXJMPJORDY-UHFFFAOYSA-N 346.239 4.114 0 1 EIAF O=c1c(-c2ccccc2)cccn1[C@H](CN1CCCC1)c1ccccc1 13436585 CMEOQHOBYZAUEU-JOCHJYFZSA-N 344.458 4.201 0 1 EIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1Cc1ccccc1 27524650 LCRRHVAUJKMFPH-FQEVSTJZSA-N 326.399 4.087 0 1 EIAF CN(C)CC(=O)N(C)c1ccc(Sc2ccc(Cl)cc2)cc1 27990746 WLSDDBYLSUWDJD-UHFFFAOYSA-N 334.872 4.016 0 1 EIAF CN1CCN([C@@H]2CC[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28013933 CCLCNKBKEJUGFP-WIYYLYMNSA-N 342.433 4.179 0 1 EIAF CN(C)CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29128321 XVEDKZVZEARJTI-UPVQGACJSA-N 346.518 4.326 0 1 EIAF CC(C)(C)c1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 33993918 QGCKNIAMHUUUDI-LBPRGKRZSA-N 334.721 4.429 0 1 EIAF in-vitro Cc1ccc(CNc2ncnc3ccc(-c4ccc([C@@H](C)O)o4)cc23)o1 66138653 SNEZLLCISLAWLJ-CYBMUJFWSA-N 349.390 4.457 0 1 EIAF Cc1ccccc1NC(=S)Nn1ccnc1-c1ccc(Cl)cc1 98085662 ZKALLVWXRXYOHG-UHFFFAOYSA-N 342.855 4.452 0 1 EIAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 102141347 WITAKKXFGJUOGA-WXHSDQCUSA-N 342.266 4.265 0 1 EIAF CCCSc1nc([C@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 169352536 KCDBCMCJBNMCPN-LLVKDONJSA-N 338.423 4.401 0 1 EIAF Brc1cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586882784 BWVCGOUITBLSCB-XQDRIVNHSA-N 332.245 4.188 0 1 EIAF CCCCOC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990454 XYOMTKYHRBHFDY-UHFFFAOYSA-N 347.370 4.109 0 1 EIAF Cc1nc(COc2cccc(-c3nc4cccc(O)c4[nH]3)c2)cs1 587020210 HPDWILUIWPAIAN-UHFFFAOYSA-N 337.404 4.279 0 1 EIAF Cc1c(Cl)ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042665 VNOMAROLCMJMES-CVEARBPZSA-N 343.883 4.471 0 1 EIAF CCOC(=O)/C(=C/c1ccccc1)c1cc2c3c(cccc3n1)CC2 587211148 CSFTVGJAAQVACB-QGOAFFKASA-N 329.399 4.437 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587419611 DBGZPSOEDPQDPZ-SUMWQHHRSA-N 334.293 4.203 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1N(C)C)CC2=O 587469761 PFEGQDHPZYAODK-OAQYLSRUSA-N 339.435 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ccccc1)CC2=O 587474028 CBPFELVFVYUOCG-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3cccc(C)n13)CC2=O 587488008 GESVDQZCYMVHQP-SFHVURJKSA-N 336.391 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1sc(C(=O)O)cc1C)CC2=O 587493097 QOZVJWOLFGAASS-CQSZACIVSA-N 346.404 4.119 0 1 EIAF C[C@@]1(c2cc[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 587523891 IQXWNYRPMVTLGZ-NRFANRHFSA-N 332.403 4.274 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 587784771 JBJGPDAWQXXEPM-UONOGXRCSA-N 340.810 4.468 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4nc(Cl)c[nH]c-4n3)ccc2c1 587933954 BHALYGOFCMVGKI-SNVBAGLBSA-N 338.798 4.272 0 1 EIAF COc1ccc(CCCC[C@@H](O)CCc2ccc(OC)cc2)cc1 685935571 ZPRCWTMOJIUUMV-LJQANCHMSA-N 328.452 4.410 0 1 EIAF biogenic,in-vitro CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)[C@@H](C)CNC2 1857597554 ASKCOVHCHYQPID-VIFPVBQESA-N 343.477 4.190 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@H](C[C@@H]32)[C@]5(CO)C4)C1(C)C 2356432213 UBTQUINDRHFXPQ-LFNLMKIUSA-N 346.511 4.179 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)OC3=C[C@@H]12 2356543708 RXSCXEUVYFNQRS-NZNSQFJMSA-N 330.424 4.078 0 1 EIAF Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c(F)c1 3948885 UPOFEOMEMGQTJA-UHFFFAOYSA-N 338.317 4.207 0 1 EIAF O=C(CNc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 4201845 LCIKUTZTIYJOAS-UHFFFAOYSA-N 335.791 4.139 0 1 EIAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(SCC(C)C)[nH]c1=O 5891065 GLWPSKKKOOCOLI-JTQLQIEISA-N 338.423 4.256 0 1 EIAF CCC(=O)NCCc1c2n(c3ccccc13)CCCc1ccccc1-2 13494177 SZPRDSDTKCPKRF-UHFFFAOYSA-N 332.447 4.323 0 1 EIAF C[C@H](O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671468 PZBUGHMAFKALLO-QGPZQBBGSA-N 348.527 4.364 0 1 EIAF O=C(O)CCCc1ccc(NC(=O)CCCCc2ccccc2)cc1 26575617 ISQFDUATZLKJKG-UHFFFAOYSA-N 339.435 4.445 0 1 EIAF O=C(Nc1ccc2ccc(=O)[nH]c2c1)c1ccc(-c2ccccc2)cc1 40567161 HFBCLXXDFHEWNK-UHFFFAOYSA-N 340.382 4.447 0 1 EIAF NC(=S)Nc1cccc(OCCCCCOc2ccc(F)cc2)c1 40954873 LIFMAXCTWAYGLN-UHFFFAOYSA-N 348.443 4.109 0 1 EIAF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccccc2F)oc1C 82175406 AWCPIRFTFZDPOS-UHFFFAOYSA-N 338.386 4.376 0 1 EIAF CC[C@@H]1CNC(=O)c2cc(-c3cccc4ccc(Cl)nc34)[nH]c21 222328518 BWVXJRCNKNGHQO-SNVBAGLBSA-N 325.799 4.120 0 1 EIAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cn1 299870585 WMTWJJUHRRATNH-UHFFFAOYSA-N 349.321 4.436 0 1 EIAF Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F 587007266 XMCBMSYQNFQZIR-UHFFFAOYSA-N 345.175 4.088 0 1 EIAF N=c1[nH]ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095017 MQEKIFMVUHORGB-UHFFFAOYSA-N 346.234 4.075 0 1 EIAF COc1ccc(Cc2nc3cccc(Br)c3[nH]2)c(F)c1 587148533 JSGWVMYPAHFQAJ-UHFFFAOYSA-N 335.176 4.064 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cccc(F)c3o1)O2 587385681 FWCMBLBGVMXUNS-IBGZPJMESA-N 325.339 4.343 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccccn1)O2 587394065 QBQFXPYUTWWFBE-JOCHJYFZSA-N 344.414 4.076 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3)nc1)O2 587394302 TVJQTHIEYUTQIC-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587420174 GNRJLQGZHLZUDP-APPDUMDISA-N 335.186 4.491 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)cc1OC)CC2=O 587466547 OMDRTSGJPRCSKW-SFHVURJKSA-N 348.345 4.338 0 1 EIAF CCOC(=O)C[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520974 BZJKYLUUOJUOJL-QVKFZJNVSA-N 342.435 4.023 0 1 EIAF CC(C)COc1cccc(OCc2nc3cc(Cl)ncc3[nH]2)c1 587565802 KQYXPAFXSANHNQ-UHFFFAOYSA-N 331.803 4.225 0 1 EIAF C[C@]1([C@@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600677 BRSWVCSJJUYLIX-OXVZUAPVSA-N 348.398 4.325 0 1 EIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587619787 ZFEDDHAWGVYHFP-YLJYHZDGSA-N 336.343 4.171 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(F)cc2[nH]1 587927760 UEZAHDNKDQGMTN-LBPRGKRZSA-N 344.386 4.270 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(SC)cc3[nH]2)cc1 587938543 WYFFMGKGYLNEHL-GTNSWQLSSA-N 328.437 4.131 0 1 EIAF COc1cc2c(cc1OC)[C@@H](c1cccc3ccncc13)N(C)[C@H](C)C2 962634478 UKTYDBWXUQUNIT-JLCFBVMHSA-N 348.446 4.218 0 1 EIAF CCCN1[C@H](c2cnn(-c3ccncc3)c2)c2ccccc2C[C@H]1C 963242479 QDIIKSDZKXIUSU-IIBYNOLFSA-N 332.451 4.013 0 1 EIAF COc1cc(/C=C/C(=O)OCCc2cccc3ccccc23)ccc1O 1772586351 UAGJVLTUKMMKIK-ZRDIBKRKSA-N 348.398 4.353 0 1 EIAF N[C@H]1C[C@@H]2CCCC[C@H]2[C@@H]1/C=C\C=C\[C@@H]1[C@H](N)C[C@@H]2CCCC[C@H]21 1857599544 UHRBQJCDCXMZHK-CNQZVSGOSA-N 328.544 4.406 0 1 EIAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc(F)cc3F)nc2c1 1911570563 NETWRZHGRNIPEM-HSZRJFAPSA-N 337.262 4.343 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@H](O)[C@@H]2C1 2356506278 HTJLAOAUYDTOJA-DNEZFVSUSA-N 332.440 4.108 0 1 EIAF Cc1cccc2c1Oc1ccccc1[C@@H]2SCCN1CCOCC1 25970359 BQPIPEJIURCYDO-FQEVSTJZSA-N 341.476 4.256 0 1 EIAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(F)c2)n1CC1CC1 28954320 LKWUTAFWSCGJST-UZYVYHOESA-N 346.471 4.446 0 1 EIAF Cc1cccc(C)c1C1=CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 40380641 CXRPNLXEOUCETI-OAQYLSRUSA-N 347.506 4.457 0 1 EIAF Cc1cc(Cc2ccc(Cl)c(Oc3ccccc3)c2)n[nH]c1=O 40847269 DCHOIDYLLIQULP-UHFFFAOYSA-N 326.783 4.115 0 1 EIAF COc1cc2c(=O)c(Cc3ccc(Cl)cc3)c(C)[nH]c2cc1F 45168655 IRKGBAZJLFFHIZ-UHFFFAOYSA-N 331.774 4.228 0 1 EIAF C=CC(=O)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1 96908537 YBZTVJNHVHJYOU-UHFFFAOYSA-N 346.839 4.195 0 1 EIAF Cc1ccccc1CSc1nc2c3ccccc3nc-2c(O)n1C 100705222 WRXVWUKYBLGXQH-UHFFFAOYSA-N 335.432 4.379 0 1 EIAF N=C1N[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H](CCc3ccccc3)N12 103262074 SFYHILHUWWMZML-XUVXKRRUSA-N 337.442 4.261 0 1 EIAF CC[C@@]1(C(=O)NCCc2ccccc2Cl)[C@H](C)C1(Cl)Cl 103296544 YRMDRJSPJRDRIM-HZMBPMFUSA-N 334.674 4.219 0 1 EIAF C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 120628222 NQIFHFSJVHGNMO-TWFSCSHKSA-N 332.528 4.245 0 1 EIAF COc1ccc([C@@H]2CCN(c3ccnc4ccccc34)C2)cc1OC 169340275 SWHLGEWNBOWLHP-MRXNPFEDSA-N 334.419 4.246 0 1 EIAF O=C1Nc2ccccc2[C@H](O)C1(Cc1ccccc1)Cc1ccccc1 169346066 IKGCNYQNFJATMF-NRFANRHFSA-N 343.426 4.144 0 1 EIAF CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)on1 473154968 NNPMOYPTWNAXBR-UHFFFAOYSA-N 345.487 4.156 0 1 EIAF CCc1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 586916930 PMQIDNCWLPELME-IIBYNOLFSA-N 334.419 4.342 0 1 EIAF Cc1c(C2CCOCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991438 NPIZRCTXNWFUMW-UHFFFAOYSA-N 345.398 4.354 0 1 EIAF O=C(N[C@H](c1ccccc1)c1nc2ccc(F)cc2[nH]1)c1ccccc1 587218155 GHEDSBRUMWIXGH-LJQANCHMSA-N 345.377 4.221 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(F)c1F)CC2=O 587466135 LZPXCGSHBVNKNP-HNNXBMFYSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)c(F)c1)CC2=O 587467909 UQGWFEOSBSRHNI-MRXNPFEDSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1OC)CC2=O 587481963 QJNLQMGRSHHDBK-LJQANCHMSA-N 326.392 4.368 0 1 EIAF CCOC1=C[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587799668 BSKDKAMTUPUQQC-QFYYESIMSA-N 340.236 4.032 0 1 EIAF CC[C@]1(CSC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845526 NDNJFXSYIQAYQI-LKFCYVNXSA-N 332.282 4.091 0 1 EIAF CCO[C@@H](C)n1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660240 HSDXDMFCZDHKIF-AOMKIAJQSA-N 347.462 4.340 0 1 EIAF CCc1sc2ncnc(O[C@H](C)C(=O)O)c2c1-c1ccccc1C 1857575194 MKMVRGIGRXKUGV-LLVKDONJSA-N 342.420 4.081 0 1 EIAF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773764 GMRVKWCFEKILBE-UHFFFAOYSA-N 330.384 4.347 0 1 EIAF COc1cc(Nc2nnc(-c3ccccc3)o2)ccc1-c1cnco1 13860201 REBGPBSIFIJHMK-UHFFFAOYSA-N 334.335 4.144 0 1 EIAF COc1ccc2c(c1)O[C@@H]1c3ccc4c(c3OC[C@H]21)C=CC(C)(C)O4 14708306 LQTXWAQTXRQFQG-OXQOHEQNSA-N 336.387 4.489 0 1 EIAF biogenic CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 15164992 JVIYPGBZCHMRSE-BTHPGYMESA-N 334.456 4.131 0 1 EIAF biogenic c1c[nH]c(Nc2ccc(Nc3ccc(Nc4ncc[nH]4)cc3)cc2)n1 26392682 JHMXUERQMCJRHG-UHFFFAOYSA-N 331.383 4.364 0 1 EIAF in-vivo O=C(O)c1ccc2ccc(/C=C/c3ccc(F)c(F)c3)nc2c1O 27523410 QMVWYWSCWDAVPG-ORCRQEGFSA-N 327.286 4.087 0 1 EIAF CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 28766111 DNNKEQQXHHYJON-OTGCGEFBSA-N 347.547 4.146 0 1 EIAF CCn1c(=S)sc2c(NC(=O)Nc3ccc(F)cc3)ncnc21 45287854 FRKJBIFPPTZXCL-UHFFFAOYSA-N 349.416 4.025 0 1 EIAF c1cncc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 82068259 GEWQCERTFFBHSD-UHFFFAOYSA-N 328.375 4.429 0 1 EIAF COc1cc(OC)c(-c2cc(=O)c3cc(Cl)ccc3o2)cc1OC 95592030 KSMGMPTYURHQBF-UHFFFAOYSA-N 346.766 4.139 0 1 EIAF O=C(Nc1ccccc1)n1cc(C2=CCNCC2)c2cc(F)ccc21 299829537 LNSUJHWAHBVTDL-UHFFFAOYSA-N 335.382 4.237 0 1 EIAF O=C1c2ccccc2-c2c(Cc3ccncc3)cnc3ccc(O)c1c23 586987980 JOBQUJPLQCWGHV-UHFFFAOYSA-N 338.366 4.138 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)c(C)c(F)c3)nc2c1 587132335 BHJDSNZGUBNXHJ-UHFFFAOYSA-N 336.725 4.257 0 1 EIAF c1ccc(CN2C[C@H]3c4nc5cccc6c5c(c4C[C@H]3C2)CC6)cc1 587211296 CNIBDNTXMMHBKV-FXAWDEMLSA-N 326.443 4.105 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1c(C)cc(C)cc31)O2 587395702 GHZXWSLBKNKKFR-QFIPXVFZSA-N 346.430 4.482 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(C)c(C)cc3c1=O)O2 587408679 NNIRJHLEBQPZSY-IBGZPJMESA-N 349.386 4.007 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(C)cc(C)cc31)O2 587414996 XKSHSAFCYHCJLG-NRFANRHFSA-N 337.419 4.227 0 1 EIAF O=C1C[C@H](c2nccn2-c2ccccc2)Oc2c1ccc1c2CCCC1 587514604 HJOGUFLECKUJQY-HXUWFJFHSA-N 344.414 4.458 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)[nH]1 587588437 KPPIHPAIIPOBSC-FXAWDEMLSA-N 335.359 4.040 0 1 EIAF CCOC(=O)Cc1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 587632565 JZTADZVVZRLDSV-UHFFFAOYSA-N 332.762 4.128 0 1 EIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C1CCCC1 587657472 XWWXCGVRLYUOFX-UHFFFAOYSA-N 326.346 4.457 0 1 EIAF Cc1cc(C(F)(F)F)nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587873524 CQLZNWAPZYMIRN-UHFFFAOYSA-N 336.248 3.901 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587956132 VNRZEIDVXFHYJA-UHFFFAOYSA-N 334.725 4.279 0 1 EIAF Cc1ccc(C)c([C@]2(CCC(=O)O)NCCc3c2sc(C)c3C)c1 963009237 KVHOOYKXJJJYDI-FQEVSTJZSA-N 343.492 4.236 0 1 EIAF Cc1cccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)c1 1772582635 ZRBDQQNEAAZMHB-UHFFFAOYSA-N 334.427 4.488 0 1 EIAF O=C(O)C[C@@H](c1cccc(-c2cccnc2Cl)c1)c1nccs1 1772657074 YCFLIYRBQOHABQ-AWEZNQCLSA-N 344.823 4.465 0 1 EIAF CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3)ccc21 1857544588 UQQHVIIRRONOHY-UHFFFAOYSA-N 346.430 4.175 0 1 EIAF CCCCCC=CCC=CC[C@H](O)[C@H](O)CC=CCCCC(=O)O 2356594552 DCJBINATHQHPKO-RBUKOAKNSA-N 338.488 4.382 0 1 EIAF COc1cc(C(=O)/C=C/c2ccc3[nH]ccc3c2)cc(OC)c1OC 3928559 YYBCBGKDMPSUIS-FNORWQNLSA-N 337.375 4.090 0 1 EIAF Cc1ccccc1C(=O)O[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684586 JQQYUOWDFUWBPW-SFHVURJKSA-N 331.843 4.498 0 1 EIAF O=c1c2ccnc(Cl)c2sn1-c1ccc(C(F)(F)F)cc1 13738553 LMYACGQTKIRFQA-UHFFFAOYSA-N 330.718 4.119 0 1 EIAF COc1ccc([C@@H]2c3cc4c(cc3C[C@H](C)[C@H]2C)OCO4)cc1OC 14726825 KLVQONDOFFKFBN-OSRJUQGESA-N 340.419 4.393 0 1 EIAF biogenic O=c1ccc2c(OCCCOc3ccccc3)c3ccoc3cc2o1 35789429 JTXGRXTXJLZYMG-UHFFFAOYSA-N 336.343 4.387 0 1 EIAF CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(O)c1 36221921 XXDJNJPGLULDCJ-UHFFFAOYSA-N 336.439 4.003 0 1 EIAF O=C1Nc2ccccc2/C1=C1\C(=O)N(c2ccccc2)c2ccccc21 45388591 RWFSNZUCSWELEO-FMQUCBEESA-N 338.366 4.228 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(F)cc1F 72101725 MXBQCLOKSYXOLR-SFHVURJKSA-N 331.749 4.297 0 1 EIAF Cn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1 96272721 ASSDAYRAIJUAKP-UHFFFAOYSA-N 339.402 4.033 0 1 EIAF O=C1O[C@]2(CCc3ccccc32)CC(O)=C1SCc1ccccc1 100364300 FMRGVWMOQUXSTP-HXUWFJFHSA-N 338.428 4.478 0 1 EIAF CCOC(=O)[C@@]12C[C@@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O 101406337 DVSDTEGCUCSBLW-MOPGFXCFSA-N 347.842 4.063 0 1 EIAF C[C@@H]1CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]3C1 169293347 LTWIOIIEIHAYGU-FJGOKHBRSA-N 325.496 4.497 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCN3C)cc12 226054489 HLLHPNZRPHCXPJ-QGZVFWFLSA-N 325.387 4.144 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(CCO)cc2[nH]1 587067496 CXXSCHFEJKYNJU-GFCCVEGCSA-N 330.815 4.200 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CCC[C@H]4C(=O)O)-c1ccccc1C2=O 587101170 KFTRBODUWKQGFQ-OAHLLOKOSA-N 343.382 4.259 0 1 EIAF COc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(F)c1 587148133 BHKYBOIFJHNNRO-UHFFFAOYSA-N 342.267 4.459 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccc(F)cc3s1)O2 587386429 YGLSYRAQYYOVBW-AWEZNQCLSA-N 328.368 4.033 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C)cc(C)c3nc1O)O2 587393867 AYSMCDXVWFSDBR-SFHVURJKSA-N 348.402 4.154 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1cccs1)O2 587411628 FBJFZZQOAHGSTC-GOSISDBHSA-N 338.432 4.195 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1C)CC2=O 587463284 VEVAUJVYQVESDL-KRWDZBQOSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(F)cc31)CC2=O 587471224 JTZPUZQAGKGRJK-HXUWFJFHSA-N 340.350 4.251 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccn(C(C)C)n1)CC2=O 587478923 WUXJGQXUMMHXAC-FQEVSTJZSA-N 342.439 4.089 0 1 EIAF Cc1cc(Cl)cc2c(N3C(=O)CCC3=O)c(-c3ccccc3)[nH]c12 587626715 HMKKWHWWOLYNLA-UHFFFAOYSA-N 338.794 4.450 0 1 EIAF COc1cccc(C)c1-c1nc2c(C)c(Br)cnc2[nH]1 587787429 SWRJWKAAPQZSNE-UHFFFAOYSA-N 332.201 4.013 0 1 EIAF Cc1cncc(-c2cccc3c2NC(=O)/C3=C\c2[nH]c(C)cc2C)c1 653677679 VVSASCIPXSQWSA-NVMNQCDNSA-N 329.403 4.495 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@H](C)c1ccccc1 963037952 RGTNORYSQVEWQU-IVZQSRNASA-N 332.447 4.408 0 1 EIAF COc1cc(CNc2ccc(C(=N)N)cc2)ccc1OCCC(C)C 1857563652 RNRSEOCVSAMSIV-UHFFFAOYSA-N 341.455 4.016 0 1 EIAF Fc1ccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)cc1 1857758388 KIQFLLDSKOZNIQ-UHFFFAOYSA-N 335.338 4.106 0 1 EIAF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1ccc(C)cc1 1857774290 MKUJJOCPKWDXPS-HNNXBMFYSA-N 335.344 4.162 0 1 EIAF CC1=CCC[C@@H]2[C@]1(C(=O)O)CC[C@H](C)[C@@]2(C)CCC1=CCOC1=O 2356517840 VZBIAQHLXQZJGZ-NCJOTSGUSA-N 332.440 4.113 0 1 EIAF CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)CN12 3987294 LPEVFFGZIOHILQ-HXUWFJFHSA-N 328.415 4.340 0 1 EIAF OC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCCC1 8536514 DKNOJZGVJQZILW-UHFFFAOYSA-N 337.398 4.430 0 1 EIAF CC(C)CC(=O)c1c(O)cc(O)c2c(-c3ccccc3)cc(=O)oc12 13335117 GKEWZBRIASMMCY-UHFFFAOYSA-N 338.359 4.100 0 1 EIAF biogenic,in-vivo O=C(NCc1ccc(F)cc1)c1cccnc1Oc1ccc(F)cc1 13860727 OBGJFEVKZBCMIZ-UHFFFAOYSA-N 340.329 4.082 0 1 EIAF CN(C)C1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2 27433768 MNYJMBBMDJGHRV-UHFFFAOYSA-N 330.255 4.067 0 1 EIAF COc1ccc2c(c1)[C@H](CCCNC(C)=O)C[C@H](c1ccccc1)C2 40917756 FWVARDNKSPQOSJ-QUCCMNQESA-N 337.463 4.425 0 1 EIAF COc1cc(O)c2c(c1)/C=C/CC[C@H](C)C(=O)CCC[C@H](C)OC2=O 40981167 TVXLYIUFQKJBSN-OQOLLCEYSA-N 346.423 4.129 0 1 EIAF CCC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)C(=O)CC(C)(C)O2 42922941 BNXAUOXBXAYHKN-UHFFFAOYSA-N 344.407 4.233 0 1 EIAF CCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C3CC3)cc2)nc1 66066642 ZQWSDPLPGQUARQ-OAHLLOKOSA-N 338.451 4.168 0 1 EIAF CCCCOCCOC(=O)c1csc(-c2ccccc2OCC)n1 82075155 DJNOLOWTWRFLSQ-UHFFFAOYSA-N 349.452 4.182 0 1 EIAF Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)cn2)n1 84759197 RSQBWZXGBNFFHL-UHFFFAOYSA-N 341.461 4.244 0 1 EIAF CC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)CC1 87612960 LWFNQPZJAHBCBC-UHFFFAOYSA-N 348.454 4.210 0 1 EIAF Cc1cc(Cl)ccc1NC(=O)c1cccc(F)c1C(=O)NC(C)C 103186478 QKOBHZWCTLQSJR-UHFFFAOYSA-N 348.805 4.178 0 1 EIAF c1ccc2nc3c(cc2c1)Sc1cc2ccccc2[n+]2c1N3CC2 137980683 NXDVUMOFTQSYKZ-UHFFFAOYSA-N 328.420 4.292 0 1 EIAF O=C(CCN1C[C@@]2(c3cccc(O)c3)CCC[C@H]1C2)c1ccccc1 169317677 YOKCOFQAEVMYAN-SIKLNZKXSA-N 335.447 4.161 0 1 EIAF CC(C)CC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321802 UYRHTVIKOGFBSP-YPAWHYETSA-N 343.511 4.312 0 1 EIAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(C(=N)N)cc2[nH]1 586878121 BWDQWXGENCLYHC-UHFFFAOYSA-N 326.403 4.489 0 1 EIAF Fc1cc(F)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587004964 GKPSGVYCEKXBDE-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Clc1cccnc1-c1nc(-c2nc3c(Cl)ccnc3[nH]2)cs1 587017327 JLOXGOKCIPOINH-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF Cc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043588 SGFRWBMBBKGQQF-HNNXBMFYSA-N 343.839 4.180 0 1 EIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)cc2[nH]1 587078971 DYLDTOLNNORTQY-CYBMUJFWSA-N 346.768 4.218 0 1 EIAF N=c1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c[nH]1 587095196 RRRKVNRIUXPGOG-UHFFFAOYSA-N 346.234 4.075 0 1 EIAF Nc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1F 587139801 XNJVXKYKDXUGAH-UHFFFAOYSA-N 346.234 4.000 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H]3C[C@H]32)[C@@H]1c1ccc(F)cc1 587356184 ZCTLFKFTHDSKLO-UEDNTWJCSA-N 338.378 4.449 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CO)C3)c1 587365965 LOIWRBRTUURVSJ-CYBMUJFWSA-N 331.371 4.289 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1C(F)(F)F)O2 587382738 RNLJSUPTRIAVQA-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1C(F)(F)F)O2 587382837 SXJOTVDCZJZZBR-AWEZNQCLSA-N 339.288 4.442 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(O)cc1F)CC2=O 587467219 RLTARNREPKHHRV-MRXNPFEDSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@]([C@@H](C)O)(C1(C)CCCCC1)CC2=O 587479746 CKSSJGGVVIYDQI-SPLOXXLWSA-N 346.467 4.400 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3ncoc13)CC2=O 587482856 KXXGSKUQTJQGBQ-FQEVSTJZSA-N 337.375 4.367 0 1 EIAF O=C1C[C@]2(CCc3ccc4c(c32)CCO4)Oc2c1ccc1c2CCCC1 587536226 SHIRSTZVGFVGFI-QHCPKHFHSA-N 346.426 4.307 0 1 EIAF COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1F 587629722 ZECYMTSXOFPCQI-UHFFFAOYSA-N 335.737 4.482 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587932261 RKYZBPZJUPNFKN-ZDUSSCGKSA-N 338.407 4.079 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587935338 IHYJKRQYVQNGPI-DIFFPNOSSA-N 330.815 4.370 0 1 EIAF COc1cc(OC)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587951484 WERCVCRJTCIGIM-UHFFFAOYSA-N 342.439 4.066 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccnc1Cl 962372790 JSLCKBJAKNYIMG-KRWDZBQOSA-N 343.883 4.283 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1ccccc1)C(=O)O 963232067 CJFLIZGGUWBTRE-HTAPYJJXSA-N 337.463 4.256 0 1 EIAF Cc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1-c1cn[nH]c1 1772641479 KUKQBSNMNWQADK-UHFFFAOYSA-N 343.789 4.108 0 1 EIAF O=[S@](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 1857561666 WGAYLKKCGZOQDP-HSZRJFAPSA-N 349.427 4.460 0 1 EIAF COc1c(O)cccc1[C@@H]1O[C@H](c2cccc3c2OCO3)[C@H](C)[C@H]1C 2356455270 MMWHIYBZMMYTSK-RHMWETHNSA-N 342.391 4.214 0 1 EIAF Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1 13487064 VEAWIGOJJIBQEQ-UHFFFAOYSA-N 327.388 4.159 0 1 EIAF Cc1cc(=O)c(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581195 KNZNJFBLNTYAEP-UHFFFAOYSA-N 346.448 4.066 0 1 EIAF C[C@]12CC[C@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@@H](c1ccoc1)O2 14969449 SUHBSVHVWQDUEA-NXHKRRBXSA-N 328.408 4.179 0 1 EIAF biogenic Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(Cl)cc1 28382512 RIRLWPVSGQEVRA-UHFFFAOYSA-N 335.812 4.326 0 1 EIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(CC3CC3)C[C@@H]2C1 29127893 SMDURVDNVKUIAT-GMAHTHKFSA-N 336.523 4.070 0 1 EIAF COc1cc(-c2ccc(C(=O)c3cccc(O)c3)s2)ccc1O 64447657 BLYWUYBVNWNGLQ-UHFFFAOYSA-N 326.373 4.066 0 1 EIAF O=C(Nc1ccccc1)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32 100814241 NAZGKLDKOUUHJL-SFHVURJKSA-N 342.354 4.193 0 1 EIAF O=C1c2ccccc2-c2cc([C@@H]3CCCOC3)nc3ccc(O)c1c23 586992251 SQDBOEJTMMWKJL-GFCCVEGCSA-N 331.371 4.046 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1 587113495 LDFKUAIBTMRLDQ-MRVPVSSYSA-N 340.736 4.323 0 1 EIAF O=C(/C=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1ccccc1 587244545 OYBPRKANEDTPCG-HJWRWDBZSA-N 347.296 4.113 0 1 EIAF COc1cc2c3c(c1)O[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587445881 PMIVXRFXONPBNY-QZTJIDSGSA-N 336.431 4.351 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1OC)CC2=O 587466212 MLSGCWMWVARYQA-KRWDZBQOSA-N 330.355 4.199 0 1 EIAF O=C1C[C@@H](c2cc(F)c(O)c(F)c2)Oc2c1ccc1c2CCCC1 587506441 NUAZPXSGYYYXHC-KRWDZBQOSA-N 330.330 4.256 0 1 EIAF Cc1c[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587790079 HATOUGAYFRKHRS-ABKXIKBNSA-N 337.236 4.157 0 1 EIAF O=C(O)CCCCCCCCCCCCc1nc2cncnc2[nH]1 587956834 BXVIQIQQICFNMG-UHFFFAOYSA-N 332.448 4.271 0 1 EIAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC3(CC2)OCCO3)c1 618012388 DMEMYGLBRVMSER-UHFFFAOYSA-N 334.419 4.178 0 1 EIAF O=C(NCCCCc1ccccc1)Nc1nc2ccccc2s1 1672379227 ODCAQMAHYZZSMI-UHFFFAOYSA-N 325.437 4.441 0 1 EIAF COc1cc(C(=O)n2ccc3c2CCCC3=O)cc(-c2ccccc2)c1 1772597069 DHHIDNYKMYQFES-UHFFFAOYSA-N 345.398 4.371 0 1 EIAF O=C1O[C@H](c2ccccc2)CN1Cc1cc(O)c(Cl)cc1Cl 1772607422 JRDMZVFOGVPJRO-HNNXBMFYSA-N 338.190 4.393 0 1 EIAF Clc1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1 1857580261 LZYBIRGHBPGPMO-UHFFFAOYSA-N 349.777 4.445 0 1 EIAF S=C(NCCc1c[nH]c2ccccc12)Nc1ccc2cc[nH]c2c1 1857751027 GLBFHHTWSTYGKA-UHFFFAOYSA-N 334.448 4.178 0 1 EIAF Cc1ccc(CN2CCC3(CC2)OCCc2sccc23)cc1C 1857766397 RSHRVTJQGJOKQQ-UHFFFAOYSA-N 327.493 4.429 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 2356558324 UVGNAGKHBDTENQ-HCKSERAJSA-N 330.424 4.257 0 1 EIAF CCn1cc(SCC(=O)Nc2ccc(OC)cc2)c2ccccc21 425876 ABMZEVRVZDENJP-UHFFFAOYSA-N 340.448 4.401 0 1 EIAF COc1ccc(NC(=O)N(C)CC2(O)CCC(C(C)(C)C)CC2)cc1 1661896 JYVLIIFYJWHLFP-UHFFFAOYSA-N 348.487 4.126 0 1 EIAF CCCN(CCC)[C@H]1CCc2cccc(C(=O)NC(C)C)c2[C@H]1C 13740183 DTWWPOHOAKPMBW-LPHOPBHVSA-N 330.516 4.365 0 1 EIAF C[C@@H]1CC[C@@]2(O)CC(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 14679512 WITLQTBCSVDMQX-SIKIZQCASA-N 332.440 4.191 0 1 EIAF CC1(C)CCN(CCOC(=O)[C@H](c2ccccc2)[C@@H]2C=CCCC2)C1 16889923 FVTFMKWTHZZTJA-WOJBJXKFSA-N 341.495 4.402 0 1 EIAF COc1cc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)ccc1O 29039212 ZTNZPWXCSNAVLW-JGRMJRGVSA-N 326.392 4.090 0 1 EIAF biogenic,in-vitro C[C@@H]1CCCC[C@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O 40849138 VYEYDYUNTJWMSG-HWPZZCPQSA-N 341.238 4.276 0 1 EIAF O=C(NCc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 43120598 GGYCPTSEUBSTMJ-UHFFFAOYSA-N 345.377 4.095 0 1 EIAF Fc1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 72128560 SXXACKFAUWMRBK-UHFFFAOYSA-N 344.459 4.288 0 1 EIAF C[C@@H](Nc1cc(-c2cccc(C(=O)O)c2)cnc1N)c1ccccc1 96284806 JMGOQTLTMHGRMH-CYBMUJFWSA-N 333.391 4.202 0 1 EIAF Clc1ccc([C@@H]2OCCc3c2noc3CO[C@@H]2CCCCO2)cc1 103188419 YHHJJXKJZHSDPB-AEFFLSMTSA-N 349.814 4.033 0 1 EIAF CC(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 150014209 UETIZBJDDPDWAQ-UHFFFAOYSA-N 335.384 4.318 0 1 EIAF Brc1cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586886186 ONQVCVMMUJNCKB-CXAGYDPISA-N 340.224 4.092 0 1 EIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(O)cc3[nH]2)c1 586914470 PZCIMXXUHXHQES-UHFFFAOYSA-N 346.342 4.037 0 1 EIAF CCc1cc(O)nc(SCc2nc3ccc(C(C)(C)C)cc3[nH]2)n1 586966870 PSWAHCLJVICDOQ-UHFFFAOYSA-N 342.468 4.211 0 1 EIAF CCOC(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587059674 TYRGTGMATBNPKY-UHFFFAOYSA-N 328.799 4.178 0 1 EIAF CC1(C)COC2(C[C@H]3Cc4nc5cccc6c5c(c4[C@@H]3C2)CC6)OC1 587215371 GUTOVXZWQVBXHX-GDBMZVCRSA-N 335.447 4.152 0 1 EIAF CCOc1cc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587444495 ZJRPFFFIKUDUJR-IIBYNOLFSA-N 338.403 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(COC)c1)CC2=O 587476355 CBVUUNRICGQUHW-LJQANCHMSA-N 326.392 4.198 0 1 EIAF CCCCOC(=O)CC[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587476859 BEWHLYGVYCEWNA-FQEVSTJZSA-N 348.439 4.192 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C 587574914 CRWCZQYUSZUJON-NQIIRXRSSA-N 349.386 4.050 0 1 EIAF Cc1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587589048 NBVMSFULVUFDLP-WIYYLYMNSA-N 349.386 4.348 0 1 EIAF Nc1ccnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783866 HRTALYVBBVYLQZ-DHZHZOJOSA-N 342.402 4.290 0 1 EIAF CC[C@]1(Cc2nc3cccc(OC)c3[nH]2)CC(=O)c2ccccc2C1 587960666 MXQOZKACEMBLEH-OAQYLSRUSA-N 334.419 4.340 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ncc3ccccn23)cc1 962670261 QNHBXVWSPBKEPL-NRFANRHFSA-N 325.415 4.236 0 1 EIAF COc1ccc2c(c1)CCN(C[C@H](F)CCc1ccccc1)CC2 1857557505 QFDHJYYSLWOLRS-HXUWFJFHSA-N 327.443 4.067 0 1 EIAF CC(C)=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C)(C)[C@H](O)C3 2356582519 KWFSDFIFEPRPTE-GOSISDBHSA-N 342.435 4.111 0 1 EIAF CC(C)C1=C(O)C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@@H]1O 2356584558 IUGOAYHOVCGSAZ-SKINNJBASA-N 334.456 4.063 0 1 EIAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCC2CCCCC2)C1 13782835 CUCVCEWRTFMXDA-HXUWFJFHSA-N 327.468 4.145 0 1 EIAF O=C(O)[C@@H]1CCCN(CCCC(c2ccccc2)c2ccccc2)C1 27733499 PWMJNBMJVCFOLC-HXUWFJFHSA-N 337.463 4.395 0 1 EIAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@@H]3CC[C@@]21C 73351225 QULFQPVZXZYVKS-RGNAJKBDSA-N 343.467 4.493 0 1 EIAF O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc(O)cc1 101122868 YLWSYWRAZBXIOR-QAQDUYKDSA-N 339.435 4.007 0 1 EIAF COC(=O)c1ccc2[nH]cc(C(=O)c3cccc4ccccc34)c2c1 200776162 NZJAXMAPTPMGFB-UHFFFAOYSA-N 329.355 4.339 0 1 EIAF N#Cc1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1 221617042 JEZANMKGEOPWEV-UHFFFAOYSA-N 345.377 4.035 0 1 EIAF c1ccc2c(c1)CN(CCCN1CCc3oc4ccccc4c3C1)C2 299826999 NAHFFBVGHJZTNG-UHFFFAOYSA-N 332.447 4.197 0 1 EIAF CN(Cc1ccccc1)[C@@H]1CCCn2nc(COc3ccccc3)cc21 299839742 SYSOEILIOJHZSZ-OAQYLSRUSA-N 347.462 4.429 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(C)c2[nH]1 586916935 PSISELAKIUBXFQ-JLTOFOAXSA-N 338.382 4.227 0 1 EIAF CC(C)(C)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 587024666 DOLRDBVFZYYYER-UHFFFAOYSA-N 336.511 4.293 0 1 EIAF CCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399026 HLMQIDFNPJONBD-GOSISDBHSA-N 341.407 4.081 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(SC(F)F)cc1)[C@@H](C2)C3=O 587423959 MCASLMSAFWBNJN-GUYCJALGSA-N 348.370 4.499 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2F)N1 587725043 BFWIJFZSMBEODI-WPPNPWJKSA-N 344.224 4.412 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]ccc32)N1 587802366 LRZZCZJSLNGPFI-QGHHPUGFSA-N 349.247 4.030 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(=O)C(C)(C)C)N1 587813047 MPXCFOPOEAIBEI-LKFCYVNXSA-N 342.252 4.169 0 1 EIAF Cc1cc2ncc(-c3nc(-c4cccc(Cl)c4)cs3)cn2n1 587920790 OGFRJLKUIPTJRA-UHFFFAOYSA-N 326.812 4.482 0 1 EIAF COC(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1OC 587964185 ZPPCEFUJUKYZOF-UHFFFAOYSA-N 330.428 4.117 0 1 EIAF O=C(Nc1ccc(-c2ccccc2)cn1)c1cnc(-c2ccco2)nc1 1772588881 PBGWYNWOIWWBSQ-UHFFFAOYSA-N 342.358 4.051 0 1 EIAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(F)c(F)c2)c1F 1772621815 AWROMOLJXHDLFP-CYBMUJFWSA-N 327.733 4.398 0 1 EIAF Cn1nc(C(C)(C)C)cc1-c1nc2cnc(-c3ccccc3F)cc2[nH]1 1772636723 WTRIVSSKKBNMSN-UHFFFAOYSA-N 349.413 4.462 0 1 EIAF Cc1ccccc1-c1ccc2nnc(-c3ccc4c(c3)OCO4)n2c1 74387380 BFMXLFWCWXBVCF-UHFFFAOYSA-N 329.359 4.100 0 3 EIAF Cc1[nH]c2ccc(Br)cc2c1SC1CCNCC1 18494 UBALTDVVCCDTNY-UHFFFAOYSA-N 325.275 4.083 0 1 EIAF Cc1ccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488815 WOWWREMXHNACHB-VLIAUNLRSA-N 342.870 4.384 0 1 EIAF CCN(CC[C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 13728367 IFWQLDANAGMQRQ-SFHVURJKSA-N 343.492 4.126 0 1 EIAF COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)oc23)o1 28713397 ZNIZTYNSRPKMAJ-UHFFFAOYSA-N 336.347 4.033 0 1 EIAF Cc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1 40896511 ZCPITANIUMVYBQ-UHFFFAOYSA-N 344.374 4.311 0 1 EIAF O=C(O)c1cn(Cc2ccc3ccccc3c2)c2c(F)cccc2c1=O 68204778 TVHXFNJWIWEBQQ-UHFFFAOYSA-N 347.345 4.040 0 1 EIAF Nc1scc(-c2ccccc2F)c1C(=O)OCc1ccccc1 96929354 KDDFFKNZAQNIQZ-UHFFFAOYSA-N 327.380 4.493 0 1 EIAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C 168467996 YZYKPCGSVJQAAW-XJKSGUPXSA-N 347.418 4.381 0 1 EIAF O=C1CCc2ccc(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cc2N1 169704861 FXEKRZUWDWVCFU-IRXDYDNUSA-N 349.434 4.029 0 1 EIAF CNC1(c2ccccc2)CCC(Cc2ccccc2)(CN(C)C)CC1 204178033 WFDROECRMFIKNH-UHFFFAOYSA-N 336.523 4.466 0 1 EIAF CN(C)c1nc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c12 299835924 ZVGHVIMYTHHWNO-UHFFFAOYSA-N 347.397 4.079 0 1 EIAF COC(=O)c1cccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586897272 XZGYJQVABOUXFK-UHFFFAOYSA-N 344.370 4.389 0 1 EIAF Fc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c(F)c1F 587092539 RDZLXWHDQMQCLE-UHFFFAOYSA-N 335.207 4.130 0 1 EIAF O=C(c1nc2c(Cl)cncc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133339 OMCKZCBJYSIBOU-UHFFFAOYSA-N 344.560 4.288 0 1 EIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccnc3[nH]2)cc1F 587150150 KVLUZOPVIDCMMB-KRWDZBQOSA-N 337.329 4.405 0 1 EIAF N=c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c2ccccc2[nH]1 587253124 ABGUKKQZGRLVPE-UHFFFAOYSA-N 329.190 4.497 0 1 EIAF CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357099 SNSVULHNHKHFSK-QUCCMNQESA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c(Cl)cccc31)O2 587380439 UTGHQCKVLXGKFR-LJQANCHMSA-N 327.811 4.428 0 1 EIAF C[C@]1(c2cc(C=O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533969 ZYBXFCFZDDEBIO-LJQANCHMSA-N 326.417 4.320 0 1 EIAF C[C@]12C[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601340 CXGKMTVGRMQDKT-IGKBFHKKSA-N 336.387 4.303 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(=O)C(C)(C)C)N1 587811448 GEJJWNDKUGEJCJ-JOYOIKCWSA-N 342.252 4.169 0 1 EIAF CCCC[C@@]1(CC(=O)OC)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962942625 FZACWDPTKDSMFC-XOBRGWDASA-N 328.456 4.041 0 1 EIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](C2CCCCCCC2)N1 963228822 JIRQOIKWIFMRNP-UXHICEINSA-N 338.451 4.235 0 1 EIAF CN(Cc1ccc(F)cc1)c1nc(C(=O)Nc2ccccc2)cs1 1772637262 JDLVCWHWMLZPMR-UHFFFAOYSA-N 341.411 4.171 0 1 EIAF COC(=O)Nc1cc(-c2c(-c3ccccc3)n[nH]c2C)cc2[nH]ncc12 1857752443 XOSXMHWVDDGFSD-UHFFFAOYSA-N 347.378 4.107 0 1 EIAF CC1=CCC[C@H]2[C@@](C)(CCC3=CCOC3=O)[C@@H](C)CC[C@]12C(=O)O 2356517841 VZBIAQHLXQZJGZ-PQTDTLSBSA-N 332.440 4.113 0 1 EIAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C[C@H](O)C(C)C 2356731873 JMZZBVNSDNHLIV-LEAZDLGRSA-N 328.537 4.306 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]23CO[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]21)[C@H]43 2356768534 QWUTUYGUGLFBMY-GWPSSABYSA-N 344.451 4.460 0 1 EIAF COc1ccccc1CNc1ncnc2ccc(-c3cccnc3)cc12 4258494 PTKQNUYVCUSETH-UHFFFAOYSA-N 342.402 4.313 0 1 EIAF C[C@@H](c1c[nH]cn1)c1scc(Br)c1Br 13862250 YCEJIRSLWBFIQA-YFKPBYRVSA-N 336.052 4.148 0 1 EIAF O=C(OCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 29565597 PXPJPNJJCSZAJM-UHFFFAOYSA-N 343.854 4.409 0 1 EIAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 45284038 YVAQXSJDDQRTTP-NRFANRHFSA-N 332.399 4.352 0 1 EIAF in-vitro COc1ccc(CN(C)c2cc(-c3ccco3)nc(Cl)n2)cc1 49863693 DQMXYADLXCUHNB-UHFFFAOYSA-N 329.787 4.035 0 1 EIAF CC(C)(C)CC[C@]1(C(=O)c2ccc(Cl)c(Cl)n2)CCNC1 58591680 SVDKSLGSXDLGEV-INIZCTEOSA-N 329.271 4.377 0 1 EIAF Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)cc1C 82191649 ZBUNFWLMWZOEQT-UHFFFAOYSA-N 336.439 4.152 0 1 EIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1Cl 117718111 YZWPNJRYEPOABE-LBPRGKRZSA-N 335.234 4.323 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 138528855 RLPBERFZDPPHHB-SPHVDITISA-N 346.511 4.142 0 1 EIAF CN(C)CCCN1CC[C@H]2c3ccccc3[C@@H](c3ccccc3)[C@H]2C1 169318092 HKNYJKSPYOTSRL-ACIOBRDBSA-N 334.507 4.189 0 1 EIAF Cc1cnc(Cl)c(-c2c[nH]c3ncnc(N4CCC[C@H](C)C4)c23)c1 210717579 SLHUEJGOPQQROH-NSHDSACASA-N 341.846 4.218 0 1 EIAF COc1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979548 PDGUMJGLKBXXAI-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ncccc1C3 586987962 ISMSQNQEZAGVPN-UHFFFAOYSA-N 336.350 4.118 0 1 EIAF FC(F)(F)CCc1ocnc1-c1nc2cnc3ccccc3c2[nH]1 587092493 PZOXRBRKQFWOHO-UHFFFAOYSA-N 332.285 4.261 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 587171587 PGBSILRWLAQYBW-JTQLQIEISA-N 326.400 4.474 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cc(C)ccc1C)O2 587397494 WJUCNIFWGCFPEM-LJQANCHMSA-N 347.418 4.291 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(C)c1)[C@@H](C2)C3=O 587418918 BNBLLKKGWUHIEM-UGSOOPFHSA-N 346.329 4.094 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)ccc4C1)[C@@H](C2)C3=O 587422541 QOUDLNDQKSMGKI-JXFKEZNVSA-N 340.806 4.024 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1Cl)CC2=O 587462845 RGVSZPZKZGMUFC-GOSISDBHSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)c[nH]c3nccc1-3)CC2=O 587470270 GIHDJLSEBCCUBE-MRXNPFEDSA-N 340.354 4.018 0 1 EIAF CC(C)[C@@H]1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536239 SLEYABMWKLVRJR-XPGWFJOJSA-N 328.452 4.350 0 1 EIAF Brc1nccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960404 LHKOGQWTRGDXNA-RYUDHWBXSA-N 328.213 4.067 0 1 EIAF CCC[C@H](C[C@@]1(C)N[C@H](CC)Cc2c1[nH]c1ccccc21)C(=O)O 962944183 HEBWNDYKDUPNIV-ARGWCVDVSA-N 328.456 4.198 0 1 EIAF CCCC[C@@]1(c2ccco2)NCCc2cc3cccc(OC)c3nc21 963040307 VZRBNHDCFMDVSX-NRFANRHFSA-N 336.435 4.416 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](CC1CCCC1)C(=O)N2 1857635446 WNEGPJMSZPXGGH-KRWDZBQOSA-N 326.396 4.238 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@H]5CC[C@H]6CC[C@@]5(C6)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356364581 ZDNSPOYRVSRVOI-XONJCYKASA-N 344.495 4.067 0 1 EIAF CC(C)C[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](CCc2ccccc2)O1 95570099 XKQSLCKHPDXZBO-ZBFHGGJFSA-N 344.480 4.094 0 3 EIAF COc1ccccc1/C=C/[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579697 AAQNNIHULWOFRN-BLRBJFNZSA-N 343.854 4.263 0 1 EIAF CN(C)C[C@@H]1C[C@@H]2c3ccc(Cl)cc3Cc3ccccc3N2O1 26567222 RCJWVLIRJLNAIE-QFBILLFUSA-N 328.843 4.057 0 1 EIAF COc1cc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc(OC)c1OC 28467020 MVWVKBXMWCHABX-UHFFFAOYSA-N 344.798 4.423 0 1 EIAF O=C(O)COc1ccc(-c2n[nH]c3ccccc23)c(Cl)c1Cl 28759070 UJDUHZASZXBZNK-UHFFFAOYSA-N 337.162 4.000 0 1 EIAF Fc1ccc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)cc1 38441788 CLBOSAQAEPTWEW-UHFFFAOYSA-N 331.297 4.298 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]21C=C3C 100778183 OFNWUWHDGCNABD-GIGLBJSCSA-N 346.511 4.489 0 1 EIAF endogenous,in-man c1cc2cc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)ccc2o1 114334096 PLAYNEJTZXFWOI-IBGZPJMESA-N 346.434 4.386 0 1 EIAF CSc1nn(-c2ccccc2)c2cc([C@H](O)c3ccncc3)ccc12 166537732 UZUHZDRMCQQDMH-LJQANCHMSA-N 347.443 4.224 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169335217 HQWPPVLSHLFTDY-PJOLERSMSA-N 329.484 4.180 0 1 EIAF CSc1nn(-c2ccccc2C)c2cc(C3=CCNCC3)ccc12 169706064 CXRDFIBCRNVOFH-UHFFFAOYSA-N 335.476 4.433 0 1 EIAF Cc1ccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c(C)c1 169722670 IOKVZBISAQZMTJ-UHFFFAOYSA-N 327.405 4.142 0 1 EIAF CN1CCc2cc(-c3ccc(O)cc3)c(O)cc2[C@H](c2ccccc2)C1 299830336 MQNXSZOCUGNTGM-QFIPXVFZSA-N 345.442 4.385 0 1 EIAF Cc1nn2c(-c3nc4ccccc4[nH]3)c(-c3ccc(F)cc3)nc2s1 299868288 ZPZDQIDNGYQSPT-UHFFFAOYSA-N 349.394 4.449 0 1 EIAF O=c1ccc2cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)ccc2o1 586916564 GMLAKDWUFXFWIL-UHFFFAOYSA-N 332.146 4.038 0 1 EIAF Cc1cc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 586997753 UILMESDTKVASKJ-CQSZACIVSA-N 344.256 4.185 0 1 EIAF c1ccc(Cc2ncc(-c3nc4cc5c(cc4[nH]3)OCCO5)s2)cc1 587021565 LMILRLRMOCKBJY-UHFFFAOYSA-N 349.415 4.048 0 1 EIAF Cc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F 587091315 IEVFCUQVJYDCGT-UHFFFAOYSA-N 325.265 4.014 0 1 EIAF CCOC(=O)CCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106558 LKYSGCMFSXKKHZ-UHFFFAOYSA-N 345.398 4.332 0 1 EIAF CCOc1cc(/C=C/c2nc3cnccc3[nH]2)ccc1OC(F)F 587130980 SEHPAUUOFMUAEN-GQCTYLIASA-N 331.322 4.128 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(C(=O)O)c2[nH]1 587171330 MNXOGCXIXXKFTE-SNVBAGLBSA-N 330.384 4.296 0 1 EIAF Nc1ccc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)cc1 587251217 CDFDEJIQKQNVIZ-ZZXKWVIFSA-N 332.176 4.217 0 1 EIAF CC[C@@]1(c2ccccc2OC(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382829 OUQPPWFNONPDCC-IBGZPJMESA-N 347.361 4.449 0 1 EIAF COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587402713 GSIOCFPDEICBCX-FQEVSTJZSA-N 333.387 4.446 0 1 EIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1SC 587411013 XABDEFOWKKMGME-HNNXBMFYSA-N 329.421 4.014 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(F)cc1Cl)CC2=O 587472949 WXNWTXFBRPNPKS-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF CCCCn1nc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C 587475033 KGGZLGZQEZPYEJ-LJQANCHMSA-N 342.439 4.356 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(COc3cccc(C)c3C)nc2c1 587564546 VUNMINRMJPTRDE-UHFFFAOYSA-N 344.798 4.199 0 1 EIAF CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587355 MQQNWZCMQYRPRM-WIYYLYMNSA-N 347.370 4.054 0 1 EIAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587772368 VGIZNLRDJYEDPB-BMLIUANNSA-N 349.247 4.224 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2C12CCN(CC(C)(C)OC)CC2 963221363 AHYNXOAYOHONBY-GOSISDBHSA-N 344.543 4.059 0 1 EIAF CC[C@@H]1C[C@H]([C@H]2c3cccc(Br)c3CCN2C)CCO1 963290796 YOGLTIZMVCTCBC-XNJGSVPQSA-N 338.289 4.183 0 1 EIAF C[C@@H](Oc1cc2ccn(CCC(=O)O)c2cc1Cl)c1ccccn1 1772605691 WYYXZQUXLUWUQJ-GFCCVEGCSA-N 344.798 4.304 0 1 EIAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@@]1(O)C2 2356550781 ZCINKZJXUAGQKT-DILOTOHQSA-N 334.456 4.332 0 1 EIAF C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OS(=O)(=O)O)ccc3[C@@H]1CC2 4095890 KFFRVXQLZSOXIX-MHORFTMASA-N 336.453 4.114 0 1 EIAF in-vitro CCOc1ccc(Nc2ncnc3c2ncn3Cc2ccccc2)cc1 6721331 CDNQJXLDAYYREK-UHFFFAOYSA-N 345.406 4.017 0 1 EIAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CC(=O)O 13742561 OGRNQSOOCDQSLQ-UHFFFAOYSA-N 343.382 4.419 0 1 EIAF CC(C)CCCCCC[C@@H](O)CC(=O)N1CCC[C@@H]1c1cccnc1 14684443 OLIIDXSQKLXOMR-WOJBJXKFSA-N 346.515 4.493 0 1 EIAF biogenic O=C(O)CCC/C=C/C[C@@H]1[C@@H](COCc2ccccc2)[C@@H]2C[C@H]1CO2 26008359 NSSQPXZFZSRNSJ-ITFPYMABSA-N 344.451 4.056 0 1 EIAF Cc1cccc([C@@H]2NC(C(C)(C)C)=N[C@H]2c2ccc3nccnc3c2)n1 28656363 WWBGXAKQOUEKBM-OALUTQOASA-N 345.450 4.163 0 1 EIAF C[C@]12C=CC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@H]12 40498166 VXBSHFZGQNCCIY-YZBNFSQXSA-N 342.479 4.450 0 1 EIAF Cc1ccc(C(=O)c2ccc(OCCN3CCCCC3)c(C)c2)cc1 40956914 XJJUFTZOMHZWIN-UHFFFAOYSA-N 337.463 4.399 0 1 EIAF COc1cc(Br)cc2cc(-c3ccccc3)c(=O)oc12 71332404 BTGXOHHCAXUQJY-UHFFFAOYSA-N 331.165 4.231 0 1 EIAF COc1ccc(CON(Cc2ccccc2)Cc2ccccn2)cc1 73196109 LMNAYIXZJABBOU-UHFFFAOYSA-N 334.419 4.224 0 1 EIAF COc1ccc([C@@H](O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 103269380 AFWLTZMAQCSANY-PSBKLILYSA-N 337.463 4.426 0 1 EIAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2C 253994983 XDCKKLJZZNMBOS-HCXYKTFWSA-N 341.476 4.154 0 1 EIAF Cc1nc2cc(Br)ccc2nc1Oc1ccc(C=O)cc1 473106504 XMDSUZHEYDXTAD-UHFFFAOYSA-N 343.180 4.306 0 1 EIAF Brc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586883664 KTSTUTKSPQFRHZ-DJQAVVSRSA-N 332.245 4.188 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899186 XSODVSACUQVWRO-LJQANCHMSA-N 344.374 4.326 0 1 EIAF C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C(=O)[C@@H]1C 586991122 JBVAXHKKKJXQGL-VHSXEESVSA-N 329.355 4.088 0 1 EIAF COc1cc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2cc1OC 587034666 XNOBXKMBRXVUOU-JTQLQIEISA-N 328.437 4.433 0 1 EIAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(O)ncnc2[nH]1 587073328 BRWMRBRKJCANNO-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587088312 LHQRFEFFDWFIOF-QMMMGPOBSA-N 347.287 4.211 0 1 EIAF CCCc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587107101 PACHKUIGMLQENA-UHFFFAOYSA-N 345.398 4.114 0 1 EIAF Fc1ccc2c(-c3nc4ccnc(Br)c4[nH]3)coc2c1 587173774 ACLXVFDPJGROAM-UHFFFAOYSA-N 332.132 4.273 0 1 EIAF Nc1c(-c2nc3cc(Cl)cc(F)c3[nH]2)cnc2c(F)cccc12 587176498 NMNCTFKXYBHREP-UHFFFAOYSA-N 330.725 4.292 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cccc1Br)O2 587376243 INXOWAZMTIJASH-HNNXBMFYSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)ccc1OC(F)F)O2 587381809 HYJKULCOYBTZMX-LJQANCHMSA-N 347.361 4.368 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)noc1C)O2 587393973 CGXPSCMBMSZJSE-QGZVFWFLSA-N 334.375 4.247 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N=O)CC2=O 587469887 PRSIIRCBZUDEJB-RNODOKPDSA-N 339.391 4.360 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCO[C@H]2C12CCCC2 587492680 RRFKIIADTBXBSC-NYSBEXSLSA-N 342.435 4.028 0 1 EIAF O=C1C[C@@H](c2cccn2-c2ccncc2)Oc2c1ccc1c2CCCC1 587513427 SGOXUDCVFFNUJE-NRFANRHFSA-N 344.414 4.458 0 1 EIAF O=C1C[C@]2(CC[C@@H]3SCCS[C@H]32)Oc2c1ccc1c2CCCC1 587537787 KBQGIZPQZNAKSM-UHOSZYNNSA-N 346.517 4.280 0 1 EIAF COc1ccc(C[C@H](C)c2nc3ccc(C(C)=O)cc3[nH]2)cc1OC 587927835 YBICBQDKNLORSM-LBPRGKRZSA-N 338.407 4.129 0 1 EIAF Cc1ccccc1-c1ccc(Cc2nc3cc(N)c(N)cc3[nH]2)cc1 587958904 HBBKWGFHIZTMRT-UHFFFAOYSA-N 328.419 4.294 0 1 EIAF CC[C@@]1(c2c(F)cccc2F)N[C@H](C)Cc2c(OC)ccc(OC)c21 963630156 BZFWVASABXVVLY-MPBGBICISA-N 347.405 4.170 0 1 EIAF CC1=CCC[C@H](CO)CCC[C@@H](CO)CC[C@@H](C(C)(C)O)CC1 2356455797 IMYZDXCIXGESSX-OTWHNJEPSA-N 326.521 4.061 0 1 EIAF CN1CCC[C@@H]1CCSc1ncccc1-c1nc2ccccc2[nH]1 203475512 QCHWRHJJAQZHRS-CQSZACIVSA-N 338.480 4.201 0 3 EIAF O=c1c2c(n3c(c1-c1ccccc1)N(Cc1ccccc1)CC3)CCC2 40441800 JLYZPVWWGHPSPC-UHFFFAOYSA-N 342.442 4.024 0 1 EIAF CCCc1cc(NCc2ccncc2)nc(Nc2ccc(F)cc2)n1 45227216 WHKCVMGMYPHLBG-UHFFFAOYSA-N 337.402 4.319 0 1 EIAF COc1ccccc1CCNc1cc(-c2ccc(F)c(F)c2)ncn1 82162022 PXELATGKPILFOA-UHFFFAOYSA-N 341.361 4.085 0 1 EIAF O=C(Nc1ccc(C(=O)O)s1)c1cc2c3c(c1)CCCC3CCC2 96907120 DRMAQGPOUBJNLI-UHFFFAOYSA-N 341.432 4.455 0 1 EIAF C[C@]12CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1CCc1ccccc12 100620728 AOBYALZNVAGOHQ-JTHBVZDNSA-N 344.458 4.454 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CC1)C3 586991768 WKIQAWLKOGAKHR-UHFFFAOYSA-N 327.383 4.421 0 1 EIAF CCc1ccc(-c2nc(-c3nc4ccc(CO)cc4[nH]3)cs2)cc1 587015661 GTGVMOSBTUNWES-UHFFFAOYSA-N 335.432 4.408 0 1 EIAF Brc1ccnc2[nH]c(CSCc3ccsc3)nc12 587027491 REZVOHCBOBKMSL-UHFFFAOYSA-N 340.271 4.215 0 1 EIAF COC(=O)c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587074784 YPHIPXJXQXKCDT-UHFFFAOYSA-N 340.810 4.277 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086172 VTFAUNLPNJCLPE-INIZCTEOSA-N 337.770 4.155 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4cc(N)c(N)cc4[nH]3)c2)c1 587160144 IXADDOKTRAGGEF-UHFFFAOYSA-N 348.381 4.209 0 1 EIAF Fc1cc(Br)cc(-c2nc3cncc(Cl)c3[nH]2)c1 587160685 AJQIXHQVELGKGG-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCSC2)N1 587857567 RQFACFBWGLWPLE-VFZGTOFNSA-N 342.277 4.227 0 1 EIAF CCCCC[C@H](O)C=CC1=CCC(=O)[C@H]1CCCCCCC(=O)O 2356572132 PUIBPGHAXSCVRF-ROUUACIJSA-N 336.472 4.424 0 1 EIAF CCOc1ccc([C@@](C)(O)[C@@H](CN2CCCC2)c2ccccc2)cc1 6811643 JGCLOCKWTQIIHT-FCHUYYIVSA-N 339.479 4.172 0 1 EIAF Cc1ccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc2c1 35087095 OHCGIWAHICQNMP-UHFFFAOYSA-N 327.767 4.191 0 1 EIAF O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1cccc(Cl)c1 40422650 JUYYJLRJRVONMH-QGZVFWFLSA-N 336.774 4.454 0 1 EIAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3Cl)ccc12 49066617 VJCBXTBXKZRGDS-UHFFFAOYSA-N 329.787 4.328 0 1 EIAF COc1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72114726 ALPCHFMDCXSHBE-OAQYLSRUSA-N 345.446 4.494 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1CCN1 118933933 KDUCRLNKTPIPLA-SXTXPXAPSA-N 329.528 4.288 0 1 EIAF CCC/C=C/COC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169370095 VYMTVUHJJJHELN-BHYVUXCHSA-N 336.472 4.354 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(C)ccc(C)c2[nH]1 586915143 BDPCGBRLOXLCRQ-IERDGZPVSA-N 334.419 4.396 0 1 EIAF CC/C(C)=C(/N)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988059 XGNNIADOJOLWED-SFQUDFHCSA-N 344.414 4.337 0 1 EIAF FC(F)(F)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036907 PGNGOGCOOMJEOH-LBPRGKRZSA-N 338.354 4.500 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084016 RBDFYUMIFVMNDU-UHFFFAOYSA-N 347.809 4.229 0 1 EIAF CCOc1cc(/C=C/c2nc3c(C)ccnc3[nH]2)ccc1OC(F)F 587129142 CLZLYKHKPJYIDL-FNORWQNLSA-N 345.349 4.437 0 1 EIAF COc1cc(OC)c2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1 587131937 XFKJJUQYQQFHRR-UHFFFAOYSA-N 344.361 4.462 0 1 EIAF COc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(F)c1 587149873 VFPNDHPKGBMORQ-UHFFFAOYSA-N 326.705 4.233 0 1 EIAF Fc1cnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150910 USYUZSRCXLKBTG-QGZVFWFLSA-N 336.345 4.438 0 1 EIAF COc1ccc(NC(C)(C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587201798 VIUVQWGXKZMAFJ-UHFFFAOYSA-N 334.782 4.106 0 1 EIAF Nc1cc(C(=O)O)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587248642 AEXVBIDTCOHNFW-UHFFFAOYSA-N 345.358 4.303 0 1 EIAF Nc1cc(-c2nc3cc(Br)ncc3[nH]2)c2ccccc2c1 587252031 QKQZWJNSMYPGHA-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@]2(C)CC[C@H]1C2(C)C 587477566 DBLWOEYVXFJPPA-NDXORKPFSA-N 342.435 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)([C@H](C)C(=O)OCC)CC2=O 587485301 VELFVUBYJMOUCD-XCLFUZPHSA-N 348.439 4.048 0 1 EIAF COC(=O)C[C@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524318 MGQYDQPKAFGFCV-NRFANRHFSA-N 342.435 4.023 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1[C@H]3CC[C@@H](C3)[C@H]12 587601287 CLZGPQGCQMGFHH-YNKYEZLVSA-N 348.398 4.159 0 1 EIAF COc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c1C 587787771 OSZZNYFMSSGLHL-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF O=C(NCc1cccc2ccccc12)c1coc(-c2ccccc2O)n1 653751754 UWPHMWVRCCTBQS-UHFFFAOYSA-N 344.370 4.130 0 1 EIAF CC(C)Cc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963022180 ICJPFKWMLUVREG-RBZFPXEDSA-N 340.492 4.089 0 1 EIAF COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(Cl)cc2C)n1 61926477 MRMUEVBJBHHNSZ-KRWDZBQOSA-N 328.799 4.129 0 3 EIAF COCCO[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 254018029 QMWXAQBRHJMZPT-DVFOPUQSSA-N 348.527 4.342 0 3 EIAF Cn1c(-c2ccccc2O)nnc1C1(c2ccc(Cl)cc2)CCC1 38421937 RXQRMKXPLSFHNN-UHFFFAOYSA-N 339.826 4.311 0 1 EIAF Cc1nc(-c2ccccn2)nc(NC2Cc3ccccc3C2)c1Cl 40900026 BRPHJIVMVFSBHL-UHFFFAOYSA-N 336.826 4.080 0 1 EIAF O/N=C1/c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@@H]1n1ccnc1 59204261 ZDHCCQYIVPQJLM-INIURNPISA-N 339.782 4.090 0 1 EIAF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 82132321 PIDGMXLYSYLLRB-UHFFFAOYSA-N 340.471 4.084 0 1 EIAF COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@@H]1O2 84616090 DHGOPWYNAIGSII-ZBFHGGJFSA-N 326.417 4.293 0 1 EIAF CCCc1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1 96916517 UHGFQOOTYMEKKP-UHFFFAOYSA-N 332.513 4.282 0 1 EIAF COc1ccc(Br)cc1-c1cc(=O)c2ccccc2o1 96923261 AZWRFPUTJOGLMH-UHFFFAOYSA-N 331.165 4.231 0 1 EIAF FC(F)(F)c1cc(Nc2ccnc3ccnn23)c2ncccc2c1 299862697 KBGRAHHPBFPGGL-UHFFFAOYSA-N 329.285 4.040 0 1 EIAF COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1C 587010492 BJFSUKOTLIQSRO-UHFFFAOYSA-N 338.230 4.074 0 1 EIAF FC(F)(F)c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 587113602 QKMBKZRVJGBKRK-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF CCOc1cc(/C=C\c2nc3c(C)nccc3[nH]2)ccc1OC(F)F 587130957 RUHYCVRLHCFHLK-ALCCZGGFSA-N 345.349 4.437 0 1 EIAF Cc1ccc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc1F 587146242 FQSJSVOXFHULAV-SNAWJCMRSA-N 332.176 4.338 0 1 EIAF CN(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587214184 XAQYRFOAPPSNIY-IBGZPJMESA-N 342.442 4.047 0 1 EIAF C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357634 UWOKYLUDCLKSKU-AZUAARDMSA-N 338.334 4.399 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCO[C@@H](C(C)C)C1)CC2=O 587494291 YBAUCVSKLWFGFB-BKTGTZMESA-N 332.440 4.130 0 1 EIAF C[C@]1(c2ccc3c(c2)CNCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587527283 UMLMYNGLEXUORE-HSZRJFAPSA-N 347.458 4.092 0 1 EIAF C/C=C\CC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527623 YEZZVRFVXKSDIZ-YOXWTLATSA-N 342.435 4.189 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1CN1C(=O)c2ccccc2C1=O 587632317 UIDPDICEFABPTA-UHFFFAOYSA-N 342.757 4.065 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1cccc(Cl)c1 587639079 UWSBZAPABMWTRD-UHFFFAOYSA-N 328.755 4.080 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccnc3)c2c1 587644196 PLNZJTKSFZVBGV-GFCCVEGCSA-N 336.391 4.094 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCSCC2)N1 587857724 MUOKYOJRKODQDV-RFAUZJTJSA-N 344.293 4.307 0 1 EIAF Cc1c(F)ccc2c1[C@](c1ccco1)(c1cccnc1Cl)NCC2 962092113 LUQAZDFSLYODEP-LJQANCHMSA-N 342.801 4.213 0 1 EIAF C[S@@](=O)CCCCNC(=S)Sc1ccc(C(C)(C)C)cc1 1857656531 HHXGAEXTHKHHIC-OAQYLSRUSA-N 343.583 4.109 0 1 EIAF C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12)OCCO3 2356319782 FYVKKXPWOJKVKR-DSWGTCOTSA-N 334.500 4.133 0 1 EIAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1 61930408 XBPASGGFAAIVJN-KRWDZBQOSA-N 344.386 4.314 0 3 EIAF CCCc1nc2ccccc2n1[C@H](CCSC)C(=O)NC(C)(C)C 95604531 HDYHMXHMJVFTRU-MRXNPFEDSA-N 347.528 4.198 0 3 EIAF O=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 13734791 AAGIPTWRMQZWAE-UHFFFAOYSA-N 337.467 4.110 0 1 EIAF CN1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34805846 XGAXVNUTGQANPL-UHFFFAOYSA-N 338.480 4.476 0 1 EIAF CCCCN1CCCC[C@H]1[C@@H](O)c1ccnc2ccc(OCC)cc12 45193901 MHRCRNYAZDMEHG-SFTDATJTSA-N 342.483 4.322 0 1 EIAF CC[C@@H](C)c1cc([C@H](O)C(F)(F)F)cc(Br)c1O 84688424 YUXYLDKDKHCOSN-KBUNVGBDSA-N 327.140 4.264 0 1 EIAF CCCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@H](O)CCCC(=O)O 85588770 NKUPFHTVILUPKF-RNEQFKNCSA-N 338.488 4.382 0 1 EIAF endogenous,in-man O=C(Nc1ccc(F)cc1)c1ccc(SC[C@@H]2CCCCO2)nc1 145069651 UEVBEJRNDQZMQD-INIZCTEOSA-N 346.427 4.134 0 1 EIAF O=C(O)/C=C/c1cnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1 202100533 HUCJLJQWRXBZMS-MDZDMXLPSA-N 338.313 4.187 0 1 EIAF Cc1cn(Cc2c(F)cccc2Cl)c2cc(CC(=O)O)ccc12 205665730 YTSVTMDRMAJBRL-UHFFFAOYSA-N 331.774 4.418 0 1 EIAF O=S(=O)(/C=C\c1nc2cc3ccccc3cc2[nH]1)c1ccccc1 586924096 HCNAIFFYSCVVSB-KHPPLWFESA-N 334.400 4.161 0 1 EIAF FC(Br)(Br)c1nc2ccc(Cl)cc2[nH]1 587088614 QEZSUTLNZGSGJR-UHFFFAOYSA-N 342.393 4.086 0 1 EIAF Cc1nc2c(C)ccc3c2c(c1CCCC(=O)O)-c1ccccc1C3=O 587101120 RFBJRKHHKAYGFW-UHFFFAOYSA-N 345.398 4.470 0 1 EIAF Fc1ccc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c1 587150603 NMGNDEWCOZQGEX-HWKANZROSA-N 328.318 4.173 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1OC(F)F)O2 587381962 JFSJWSXTDPASIK-INIZCTEOSA-N 333.334 4.194 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccsc3)nc1)O2 587413509 OYEKVCASLVBTGA-SFHVURJKSA-N 336.416 4.407 0 1 EIAF CC[C@@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439702 MMRKHLHMMARRFB-FFUDGTDTSA-N 338.403 4.361 0 1 EIAF CC(C)COc1cccc(OCc2nc3ccnc(Cl)c3[nH]2)c1 587565882 MAEZDZWZNRZWOB-UHFFFAOYSA-N 331.803 4.225 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCC1 587865766 IEADKSPTHUEUSC-UHFFFAOYSA-N 338.329 4.408 0 1 EIAF Fc1ccc(CCCCN2CCN(c3ccc(Cl)cn3)CC2)cc1 1857561768 HHVQGHMBHYXHGF-UHFFFAOYSA-N 347.865 4.019 0 1 EIAF C[C@H](Cn1nc(-c2ccc(F)cc2)c2c(N)ncnc21)c1ccccc1 1857596443 FAJYZGUCNKNDSD-CYBMUJFWSA-N 347.397 4.018 0 1 EIAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc(F)cc3F)oc2c1 1911585427 MFMCNUFYWUBLKI-HSZRJFAPSA-N 337.262 4.343 0 1 EIAF C[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(F)cc3)[C@@H](C2)[C@H]2CCCCN12 263590686 IBAVRLDMJAPXKD-WTGZGRDKSA-N 332.419 4.026 0 3 EIAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2O 13302462 GMESSRPWBYEAPG-DOSUHQCWSA-N 348.483 4.016 0 1 EIAF biogenic CCc1nc(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13436278 UXGHLOTWJFSCHD-UHFFFAOYSA-N 333.453 4.355 0 1 EIAF C[C@@H]1CC(=O)c2c(coc2-c2c(O)ccc3c2OC(C)(C)C=C3)[C@H]1O 14587370 SRUGXOLNOMJETJ-QGHHPUGFSA-N 340.375 4.092 0 1 EIAF biogenic O=C(CCCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 14658334 VIQYOKDVSJLKNG-WEVVVXLNSA-N 329.440 4.392 0 1 EIAF endogenous,in-man CCn1c(=O)n(CC)c2cc(-c3[nH]cnc3-c3cccc(C)c3)ccc21 14958446 CLUFFZOVORVVIN-UHFFFAOYSA-N 346.434 4.208 0 1 EIAF O=C(c1cc2ccc(O)cc2o1)N1CCC(Cc2ccccc2)CC1 35259633 ADQCQULCJYYVHZ-UHFFFAOYSA-N 335.403 4.233 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(C)c1 100018398 GDGRKKVXLYXCIV-CQGUWYRNSA-N 343.423 4.196 0 1 EIAF OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2Cl)CCC1 103539500 MFJCTHKDUKQUIO-CQSZACIVSA-N 335.194 4.256 0 1 EIAF Cc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1C 114337480 ATNOGRXONZLRGS-FQEVSTJZSA-N 334.467 4.256 0 1 EIAF COc1cccc2c1C[C@H]1N(C(=O)C3CCCC3)CC[C@]2(C)C1(C)C 115790135 CDTOTLJPZPQWFP-KNQAVFIVSA-N 341.495 4.326 0 1 EIAF COc1cccc(-c2cc(COc3ccc4oc(=O)ccc4c3)on2)c1 299826312 VRPRDWCCFJFRDM-UHFFFAOYSA-N 349.342 4.036 0 1 EIAF CCc1c(C(=O)NCCc2ccccc2)[nH]c2ccc(Cl)cc12 299867241 PZQBNUHQWVYTJP-UHFFFAOYSA-N 326.827 4.356 0 1 EIAF Cc1nn2c(-c3nc4ccc(O)cc4[nH]3)c(-c3ccccc3)nc2s1 473112258 BXKDNEVZJBKIAQ-UHFFFAOYSA-N 347.403 4.015 0 1 EIAF COCC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989475 KJLJEGLEMJLFHZ-LBPRGKRZSA-N 345.398 4.218 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587011442 GLFQCFAPWWIKTC-UHFFFAOYSA-N 335.335 4.194 0 1 EIAF Nc1ncnc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 587050214 FZOJHJATNJJKND-UHFFFAOYSA-N 346.177 4.169 0 1 EIAF Oc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)c1 587053798 IPLVWUQKBIGLPH-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF COc1cccc(-n2cc(-c3cc4c5c(cccc5n3)CC4)cn2)c1 587211773 WMQFXABKBZXVJJ-UHFFFAOYSA-N 327.387 4.195 0 1 EIAF COc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587243120 ARZXQZUKWSIUBZ-UHFFFAOYSA-N 343.386 4.491 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Cl)ccc3[nH]1)O2 587379912 MVOALGHKFVGJTL-KRWDZBQOSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1C(F)(F)F)O2 587381142 GRSZDYNIGBNLQA-CQSZACIVSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(O)c1)O2 587404445 QKHMXSRNBIIHGX-JOCHJYFZSA-N 345.398 4.192 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(CC)ccc1O)CC2=O 587488935 LEGILEKVLIZOQG-IBGZPJMESA-N 326.392 4.319 0 1 EIAF O=C1C[C@H](C(=O)c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587505414 MZHWVMHLRDZZOH-GOSISDBHSA-N 342.341 4.060 0 1 EIAF CC(C)(C)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513347 JGMDSRGJQCSSRS-UHFFFAOYSA-N 327.468 4.164 0 1 EIAF COc1ccc2c(c1)C[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524245 KXTFMVZOZHHFCR-HSZRJFAPSA-N 348.442 4.467 0 1 EIAF Cc1cncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587775849 UIYOFYXDVFXCPY-BTDLBPIBSA-N 349.247 4.224 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCC(C)(C)O2)N1 587831617 IGMDANRAMZAMKY-DDHOLCJHSA-N 342.252 4.121 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccsc2)N1 587853007 KFNUMDMIRFBXAK-VFZGTOFNSA-N 340.261 4.447 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Oc1ccccc1 587871963 RCMQRIWRHHMDQV-UHFFFAOYSA-N 326.327 4.135 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587962978 KZUUYOSVAUHLDU-GOEBONIOSA-N 334.419 4.300 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12COc1c(cccc1OC)C2 963240624 KXMLLHVZVHSLMX-KSFYIVLOSA-N 337.463 4.182 0 1 EIAF O=C(O)CCCCC1=C[C@H]2C[C@@H](O)[C@H](/C=C/Cc3ccccc3)[C@H]2C1 1857589981 XAPTYMPUCODQOW-KKWRYVEUSA-N 340.463 4.374 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H]2[C@@H](C=C1C)c1c(C)coc1C(=O)[C@@H]2C 2356607010 MKWWNWBOBCXLHD-KLHDSHLOSA-N 328.408 4.348 0 1 EIAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C2CCSCC2)C1 13593313 LEJHIUNKJREDRV-CQSZACIVSA-N 337.916 4.439 0 3 EIAF COc1c(C(C)=O)c(O)c(OCc2ccccc2C)c2occc12 13682337 RWZPPTDKJKKJTE-UHFFFAOYSA-N 326.348 4.237 0 1 EIAF COc1ccc(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)c1 28765330 OMVJTJQWEJWYCD-UHFFFAOYSA-N 327.163 4.421 0 1 EIAF O=C1Nc2ccc(Br)cc2/C1=C\c1cc2c([nH]1)CCCC2 31356817 RFHPWPWVGFSLOP-NTEUORMPSA-N 343.224 4.149 0 1 EIAF O=C(/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 34239536 BYKNKNBUHGFXQF-NXZHAISVSA-N 327.424 4.168 0 1 EIAF biogenic,in-vitro Cc1cccc(N2C(=O)CS[C@H]2c2ccc(-c3cccnc3)cc2)n1 40421270 BCSIDRMKCDVYDX-FQEVSTJZSA-N 347.443 4.231 0 1 EIAF Cc1cc(Cl)cc(-c2ccccc2C(=O)NCC2CCNCC2)c1 49036730 ZYDSHBCCCUARPI-UHFFFAOYSA-N 342.870 4.045 0 1 EIAF CN(C)C(=O)N1Cc2c(ccc3ccccc23)[C@@H](c2cccc(O)c2)C1 62154031 KMNUSXHWMPTCRE-HXUWFJFHSA-N 346.430 4.175 0 1 EIAF Cc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ccccc2c1=O 84652264 IUIHEKNDTGXSLV-UHFFFAOYSA-N 335.403 4.061 0 1 EIAF COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@@H]2CC[C@@H]1O2 101501330 ZQVAZFQVPHFFCY-ZFWWWQNUSA-N 326.417 4.293 0 1 EIAF O=c1c2c(sn1-c1ccc(Cl)cc1C(F)(F)F)CCCC2 103182063 VEISPIBIYASXDP-UHFFFAOYSA-N 333.762 4.450 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@@H]12 238783381 RXSCXEUVYFNQRS-RVBPXUEISA-N 330.424 4.078 0 1 EIAF COC(=O)[C@H]1[C@@H](c2cccc(-c3ccsc3)c2)C[C@H]2CC[C@H]1N2C 253703289 OECDZVROWVHNGS-MKXGPGLRSA-N 341.476 4.154 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587043672 SUWVDIXFJDKSIS-HNNXBMFYSA-N 343.496 4.062 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587088879 UGZUYUQHUMXRNG-QMMMGPOBSA-N 347.287 4.211 0 1 EIAF CCOC(=O)Cc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587114235 XSTIJIUAZWINRL-UHFFFAOYSA-N 348.324 4.354 0 1 EIAF COc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120841 XDMNWDDBKUMWIK-UHFFFAOYSA-N 332.285 4.134 0 1 EIAF Fc1c(F)c(F)c(/C=C/c2nc3cc(Cl)cnc3[nH]2)c(F)c1F 587135363 XWLDJPSAKZFGIS-OWOJBTEDSA-N 345.658 4.477 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccncc3)cc1)O2 587394891 KZAQYZOZZFEOGX-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(N)sc(C)c1C)(C1CC1)O2 587410726 OPHJCBMDUJMNCE-LJQANCHMSA-N 342.464 4.108 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1C1CCOCC1)O2 587411827 KQNZMSYHEIUIKF-HXUWFJFHSA-N 337.419 4.178 0 1 EIAF COc1ncc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499202 LQHXNDOVCTXTMK-QGZVFWFLSA-N 343.810 4.329 0 1 EIAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(N)cc2O1 587507075 ACAYBRVUWCLIMY-QFIPXVFZSA-N 347.414 4.305 0 1 EIAF CC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704717 JPKFTBVQMJFOGY-JMCQJSRRSA-N 340.158 4.290 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(F)(F)F)N1 587708596 BRRRMZMJWDNLRV-KSBSHMNSSA-N 326.131 4.116 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587789336 CWXCDUPXTAXBBK-PWJLMRLQSA-N 337.236 4.157 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587831682 XWAWVPFMOFLJGA-XXFAHNHDSA-N 338.220 4.287 0 1 EIAF CN(C)CCOc1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1 587969327 MIHIMSMNCSJBPO-HUUCEWRRSA-N 329.488 4.433 0 1 EIAF O=c1oc2cccn2c2ccc(-c3ccc(C(F)(F)F)nc3)cc12 1772583528 UJJNOVJIGJSNDH-UHFFFAOYSA-N 330.265 4.127 0 1 EIAF COc1cc(C=C(C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O 2356659700 OPAORDVBZRVVNQ-CQSZACIVSA-N 328.408 4.397 0 1 EIAF CCCCc1nc2cc(C(=O)N(C)[C@H](C)c3ccccn3)ccc2o1 11938357 NORHRAWDKURUCK-CQSZACIVSA-N 337.423 4.399 0 3 EIAF CCCCS(=O)(=O)NC[C@@H](C)c1ccc(-c2ccccc2F)cc1 13835050 CVDWIPBTNXEZHS-OAHLLOKOSA-N 349.471 4.316 0 1 EIAF Cc1cccc(-c2cccc(-c3cc(C(N)=O)cc(C(=O)O)c3)c2)c1 14960615 SLKLLQCVJHLTOC-UHFFFAOYSA-N 331.371 4.126 0 1 EIAF COCc1ccnc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 28568289 HQSPEMUBMRLPGB-UHFFFAOYSA-N 333.819 4.365 0 1 EIAF Fc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 51076683 YKWBVMSKVHRDJR-CYBMUJFWSA-N 329.806 4.345 0 1 EIAF biogenic COC(=O)C1=C(C)N(c2ccccc2)C=C[C@H]1c1ccc(OC)cc1 52566322 ZCLUCBLRPLHKTO-IBGZPJMESA-N 335.403 4.260 0 1 EIAF Cn1nc(C(C)(C)C)cc1NCc1coc(-c2ccccc2F)n1 72102061 YFDKEOSKQFVJNK-UHFFFAOYSA-N 328.391 4.124 0 1 EIAF Cc1cc(O)c(C(C)C)cc1CCC(=O)C[C@@H](O)Cc1ccccc1 73197871 NQYADSJKSXBBQH-FQEVSTJZSA-N 340.463 4.319 0 1 EIAF COc1ccc(CN2[C@@H](C)c3cc(OC)c(OC)cc3C[C@H]2C)cc1 95784875 KQAFZKZNNTXWGL-CABCVRRESA-N 341.451 4.220 0 1 EIAF O=C(Nc1ccc(CC[C@@H]2CCCN2)cc1)c1cccc(Cl)c1 117731668 KGNFUKAKSJPFKX-KRWDZBQOSA-N 328.843 4.277 0 1 EIAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(OC)c4)c3c2)s1 204756418 RURBFVDBCVUPHN-UHFFFAOYSA-N 336.420 4.404 0 1 EIAF CCC(C)(C)c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 586882282 ZJNUBTWMTRSLNX-UHFFFAOYSA-N 344.436 4.164 0 1 EIAF Cc1nc(COc2cccc(-c3nc4cc(F)cnc4[nH]3)c2)cs1 587019976 AHHVUINPQWLHOS-UHFFFAOYSA-N 340.383 4.108 0 1 EIAF Fc1cc(F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587076927 PGWBIOXZWGLXHL-CQSZACIVSA-N 333.725 4.112 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1ccc(C)cc1)[C@@H](C2)C3=O 587446970 JEOPANCKFAFZDM-SPEDKVCISA-N 334.415 4.458 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1cccs1)[C@@H](C2)C3=O 587448756 BYXMGYXIUJZVNM-WFTHSTBKSA-N 326.417 4.067 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(SC)cc41)[C@@H](C2)C3=O 587452937 QIIFEOMZMNQTHM-JXFKEZNVSA-N 338.428 4.006 0 1 EIAF C=C=C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601081 QPVFARHYMKXPHX-UWJYYQICSA-N 336.387 4.480 0 1 EIAF CC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704718 JPKFTBVQMJFOGY-JVXZTZIISA-N 340.158 4.290 0 1 EIAF Cc1cncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587773484 JEFZRRUAABRYQX-BMLIUANNSA-N 349.247 4.224 0 1 EIAF Cc1c[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587790081 HATOUGAYFRKHRS-JDNHERCYSA-N 337.236 4.157 0 1 EIAF C[C@@H]1CCCC[C@@H]1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876282 NEFZZHPGAHFUPW-MFKMUULPSA-N 331.416 4.096 0 1 EIAF Cc1nc(N2CCCCC2)sc1[C@H]1NCCc2c1sc(C)c2C 963014993 WIWSYURNWHTXEK-OAHLLOKOSA-N 347.553 4.355 0 1 EIAF Cc1cc(C)c(-n2ccc([C@@H]3NCCc4c(C)ccnc43)c2)c(C)c1 963083499 CNARGBOYKNZBES-FQEVSTJZSA-N 331.463 4.341 0 1 EIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N)cc1 1237755309 UZWUYWIFMNRALX-UHFFFAOYSA-N 338.860 4.021 0 1 EIAF O=C(O)C[C@H](c1cccc(-c2ccncc2Cl)c1)c1nccs1 1772603046 RGZGBEXJMHLDNM-CQSZACIVSA-N 344.823 4.465 0 1 EIAF CC(C)=C[C@@H]1CC(=CCOc2cc(=O)oc3cccc(C)c23)CO1 2356637389 QYSKIBOKWALCSP-MRXNPFEDSA-N 326.392 4.162 0 1 EIAF COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 10511306 LHDLEJYJYBVLGL-UHFFFAOYSA-N 340.448 4.160 0 1 EIAF Clc1ccc(Cn2c(-c3nnn[nH]3)cc3ccccc32)cc1Cl 13588866 XLDIGLBSLBGYAL-UHFFFAOYSA-N 344.205 4.177 0 1 EIAF CCOCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610542 HERKLQVYFHLWDS-USUWBSJTSA-N 344.495 4.262 0 1 EIAF CC(C)(C)Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 14971022 SBFJMGDUIWYKMQ-QGZVFWFLSA-N 342.391 4.099 0 1 EIAF CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc2ccccc21 27419987 LVEPVOGKAJXFDF-UHFFFAOYSA-N 328.459 4.199 0 1 EIAF COC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c(C)n1 58523430 QOYKEEQGWKKDNO-UHFFFAOYSA-N 330.387 4.333 0 1 EIAF Cn1nc(C(C)(C)C)cc1NCc1coc(-c2cccc(F)c2)n1 72102676 RWAPOCJSHWHKLY-UHFFFAOYSA-N 328.391 4.124 0 1 EIAF O=C1NCc2[nH]c3c(ccc4cnc(/C=C/c5ccccc5)cc43)c21 72109924 VQQDOYPJOLNJQP-SOFGYWHQSA-N 325.371 4.130 0 1 EIAF COc1ccccc1Oc1cc(NC[C@@H](C)c2ccccc2)ncn1 82068348 LEBBKWOFGJMMII-OAHLLOKOSA-N 335.407 4.493 0 1 EIAF c1ccc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc2c1 95564463 NTTUVIVSZDBDRW-UHFFFAOYSA-N 329.403 4.220 0 1 EIAF NC(=S)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc2ccccc12 95581679 NPKZOJCZCANPQC-IBGZPJMESA-N 349.434 4.374 0 1 EIAF OC1CCC(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 96258610 HKFWOTJVDCMHST-UHFFFAOYSA-N 331.500 4.035 0 1 EIAF Cc1nnc(-c2ccc(-c3ccncc3)cc2)n1-c1ccccc1F 96283525 DMWCVPWIUOWQDR-UHFFFAOYSA-N 330.366 4.444 0 1 EIAF CC[C@H](C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F 103179506 ZTFXSGALUDXYAJ-JTQLQIEISA-N 325.334 4.205 0 1 EIAF COc1ccccc1S(=O)(=O)/C=C/c1ccccc1C(F)(F)F 103249198 BLHMVIROYUDHJH-ZHACJKMWSA-N 342.338 4.159 0 1 EIAF COc1ccccc1S(=O)(=O)/C=C/c1cccc(C(F)(F)F)c1 103249200 SVCRABJVPYZBCQ-MDZDMXLPSA-N 342.338 4.159 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C 238772878 OFNWUWHDGCNABD-JASYKLOUSA-N 346.511 4.489 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]24CN(C)[C@H](C)[C@H]2CC[C@H]34)C1 255271081 UBWOPONWVXRTKE-GXNUUXKMSA-N 342.571 4.467 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2cccc(Br)c2[nH]1 586882546 XQAWRMZMTLPYCG-CMDGGOBGSA-N 343.180 4.194 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)c(F)cc2[nH]1 586916359 LQWCUQPWPMCGNM-VBKZILBWSA-N 338.382 4.227 0 1 EIAF Cc1cc2[nH]c(-c3cnc(C)c(Br)c3C)nc2c(C)n1 586979019 FKKYKGRRSJDKNZ-UHFFFAOYSA-N 331.217 4.016 0 1 EIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Cl)cc2[nH]1 587040561 OCDYGIXBGXVHML-LBPRGKRZSA-N 339.848 4.199 0 1 EIAF N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl 587055349 AZBFVURKWNRTRB-SECBINFHSA-N 341.629 4.161 0 1 EIAF FC(F)(F)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 587114036 UFWXBFNYWUHSRO-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF Cn1cc(C(=O)c2coc3ccc(Cl)cc23)c(C(F)(F)F)n1 587279088 VPVCGCUGLOKVQL-UHFFFAOYSA-N 328.677 4.070 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cccc(Cl)c31)O2 587380066 PKCMNCINPGADMC-LJQANCHMSA-N 327.811 4.428 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O 587424031 NFKIZFIBBDGSSY-MGPUTAFESA-N 326.367 4.114 0 1 EIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587931230 RJKDFVGJAQIICA-SJCJKPOMSA-N 347.340 4.431 0 1 EIAF C1=C[C@H]2C[C@@H]1C[C@@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647631 VZTZTJRYLXQERN-BZVKRPRLSA-N 342.486 4.225 0 1 EIAF Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cn2)n1 1857774249 DHCNUSNZEUSTQC-UHFFFAOYSA-N 338.436 4.019 0 1 EIAF C[C@]12CC=C(CC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356859510 SVLVKYHISIXPST-BJSXQCTJSA-N 332.484 4.401 0 1 EIAF COc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccccc4)CCCN2C3)cc1 96018968 JDNATHCZSQEYDY-SLTDHEAWSA-N 349.430 4.131 0 3 EIAF Cc1cc(Sc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)ccn1 13744316 PZECLYJWVGQDMG-UHFFFAOYSA-N 345.431 4.388 0 1 EIAF Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1 13782412 KOIOXZPPAMBEIL-UHFFFAOYSA-N 342.420 4.068 0 1 EIAF C[C@H](CCc1ccccc1)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1 26568634 XHAVKNKCVAKHJX-UWTIGNOOSA-N 347.808 4.464 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@@H]4[C@H](CCC5=CC(=O)CC[C@]54C)[C@H]2CC[C@@H]13 40449811 TYCYEAVFQIHORZ-LQVZKCNSSA-N 328.452 4.060 0 1 EIAF CC1CCC(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 45358067 LSMFQERSGNTVHF-YBEGLDIGSA-N 331.437 4.216 0 1 EIAF Cc1ncccc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 68204811 SWRQVPZECXKHOO-UHFFFAOYSA-N 349.344 4.417 0 1 EIAF COCc1ccccc1-c1c[nH]c(=O)c2cc(-c3ccncc3)sc12 72176346 OLSJFKRZJSIFMG-UHFFFAOYSA-N 348.427 4.465 0 1 EIAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23CN1C 95911221 MDZRHDNUSKCTSP-QLPKIABKSA-N 328.544 4.207 0 1 EIAF biogenic,in-vitro COc1ccc(S(=O)(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 103251838 RNUIVZMXPKUIQA-ZHACJKMWSA-N 342.338 4.159 0 1 EIAF Cc1c(OCC(=O)O)cc2c(c1Cl)C(=O)[C@@](C)(C1CCCC1)C2 138567997 RGDTZOFUAADBNT-GOSISDBHSA-N 336.815 4.047 0 1 EIAF O=c1[nH]c(O)c(Cc2ccc(OCCC3CCCCC3)cc2)s1 169700816 QXYKCORFGMTMHR-UHFFFAOYSA-N 333.453 4.082 0 1 EIAF COc1cc(-c2cc(C)c(-c3ccc(O)c(OC)c3)o2)ccc1O 238734816 GZYIOWAUERVRRT-UHFFFAOYSA-N 326.348 4.350 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@@]1(C)CO 238735038 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GMMJPVZMROUQJO-OAQYLSRUSA-N 337.419 4.029 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(C)c1Cl)[C@@H](C2)C3=O 587424285 YTOILDUNLNXJEN-IFXJQAMLSA-N 328.795 4.454 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1SC)[C@@H](C2)C3=O 587452296 OBJVSEOTLGWMHN-YWZLYKJASA-N 340.444 4.166 0 1 EIAF O=C1C[C@@](c2cncc(F)c2)(C2CC2)Oc2c1ccc1c2CCCC1 587506328 JVZGYZHLGDPKDN-NRFANRHFSA-N 337.394 4.370 0 1 EIAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 587629258 HACJBVQNBBAQLA-UHFFFAOYSA-N 341.720 4.345 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H]2C3(C)C)N1 587829064 QKXOOUSKGPKDEH-FOCYAKJXSA-N 338.264 4.384 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(C)nc(C)cc2[nH]1 587928200 XXSKCJJNERUPIB-CQSZACIVSA-N 325.412 4.134 0 1 EIAF C[C@H]([C@@H]1NC2(CC2)Cc2ccc(Br)cc21)C(F)(F)F 961617687 VJRYVEBUAIUPAK-PELKAZGASA-N 334.179 4.367 0 1 EIAF COc1c(C(C)C)ccc2c1CC[C@H]1[C@H]3COC(=O)[C@H]3CC[C@]21C 1772609256 ACQQGTZWIHSPES-YZZRYBLGSA-N 328.452 4.222 0 1 EIAF Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3n2)cc1C 1857544280 UGCKGPPCPRGHPQ-UHFFFAOYSA-N 342.402 4.290 0 1 EIAF CC(C)c1ccc(-c2cc(CN3CCC[C@H](O)C3)nn2C(C)C)cc1 1857569167 KNBCNHLQEZPUMM-FQEVSTJZSA-N 341.499 4.211 0 1 EIAF CCO[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(-c2ccccc2)cc1 1857762678 RLQQIACOPOPXMH-GOSISDBHSA-N 329.783 4.135 0 1 EIAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@H]1[C@]4(C)CCC(=O)[C@@]4(C)CC[C@@]12CO3 2356580609 YXDUTHSIFYOIQZ-LXWCWMBHSA-N 342.479 4.102 0 1 EIAF NC(=O)N(O)[C@@H]1CCCc2cc(OCc3ccc(Cl)cc3)ccc21 3803972 GMJYCQSOQPTBAY-QGZVFWFLSA-N 346.814 4.066 0 1 EIAF O=c1cc(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]1 13556520 OJJLKEKDCKDDMJ-UHFFFAOYSA-N 336.407 4.064 0 1 EIAF Cc1cc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c1 29476864 HUGYGHGIFGCECH-HNGSOEQISA-N 340.394 4.189 0 1 EIAF Cc1cc(F)ccc1-c1nc(Nc2ccncc2)c2ccn(C)c2n1 45192564 KXLKWKYGZSVTMV-UHFFFAOYSA-N 333.370 4.221 0 1 EIAF COc1cccc(C(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)c1 66103835 VWZGITLOILWTQY-UHFFFAOYSA-N 347.414 4.131 0 1 EIAF CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(CCO)cc2)cc1 73297686 YNCFJJJQCGMSHY-MRXNPFEDSA-N 326.436 4.129 0 1 EIAF C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C 101434548 BVLMUEUIQIASQJ-WTBMIXGQSA-N 326.362 4.296 0 1 EIAF COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@H]2CC[C@H]1O2 101501227 PSBDCZZMKYJTOI-GDBMZVCRSA-N 326.417 4.293 0 1 EIAF Cc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1 169308772 MLVFZMXIRPBXTF-UHFFFAOYSA-N 337.386 4.339 0 1 EIAF Cc1c(/C=C/CNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O 169716708 JRJSQFCWTWXANN-JXMROGBWSA-N 329.396 4.097 0 1 EIAF c1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1 222105909 FRXWVBXCMDWKFC-UHFFFAOYSA-N 337.386 4.090 0 1 EIAF Cc1c(F)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587132405 FKESZGKPUUBWDV-UHFFFAOYSA-N 348.662 4.230 0 1 EIAF N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587154680 GEHMGFIHQJFIBO-BDJLRTHQSA-N 335.304 4.062 0 1 EIAF Fc1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 587168310 FNEMRFCXSADZBQ-UHFFFAOYSA-N 339.139 4.183 0 1 EIAF COC(=O)c1cccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c12 587171521 NWWMTGLYWZKLAP-LLVKDONJSA-N 344.411 4.384 0 1 EIAF Cc1c(Cl)ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 587175745 ACNIBXLEXGHWIU-UHFFFAOYSA-N 326.762 4.461 0 1 EIAF COc1cncc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242404 KQWWKVKPXBMBCB-UHFFFAOYSA-N 332.363 4.083 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3C[C@H]32)[C@@H]1c1ccc(F)cc1 587356178 ZCTLFKFTHDSKLO-BNPMJZEOSA-N 338.378 4.449 0 1 EIAF CCCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400859 SARDMTXMZQYOFT-YWZLYKJASA-N 347.455 4.061 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O 587427271 RQKAUZDNWTXNKG-XYZCENFISA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccc1)[C@@H](C2)C3=O 587429312 BBCGPYIVEGMIEQ-HTAPYJJXSA-N 345.398 4.034 0 1 EIAF O=C1C[C@H](c2ccc(-c3ncon3)cc2)Oc2c1ccc1c2CCCC1 587528336 XINFPSOAGZTKOK-LJQANCHMSA-N 346.386 4.322 0 1 EIAF Cc1cc2[nH]c(COc3cccc(OCC(C)C)c3)nc2c(C)n1 587566033 QFLNJZJLFPIXJL-UHFFFAOYSA-N 325.412 4.189 0 1 EIAF Oc1ccc2c(c1)[C@](CC(F)(F)F)(c1cc(F)ccc1F)NCC2 963353469 RPKUSISOWKBBRU-MRXNPFEDSA-N 343.295 4.012 0 1 EIAF COc1ccc(F)cc1[C@H]1C[C@@H]1CNCc1ccccc1OCCF 1772590689 RWVUVCPDTBPDCJ-WBVHZDCISA-N 347.405 4.076 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 2356597607 NXNOPTGUMNFXAY-NNLXLDEASA-N 332.440 4.108 0 1 EIAF CCC(=O)O[C@@H](C)c1cccc2oc(OC)c(CC=C(C)C)c(=O)c12 2356665814 OFIDHGLHLLHWIM-ZDUSSCGKSA-N 344.407 4.325 0 1 EIAF O=C(O)[C@H]1CCCN(CCC=C(c2cccs2)c2cccs2)C1 13827952 ZSWAUBWMXIBOEX-AWEZNQCLSA-N 347.505 4.428 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@](C)(O)[C@]21C 15221179 BZRPKNIKUQJVKD-HSALFYBXSA-N 330.424 4.172 0 1 EIAF biogenic CC[C@@H](O)Cn1ccc(-c2cccc(-c3cccc(C(C)=O)c3)c2)n1 23399324 UOPBFSLCYXCIEX-HXUWFJFHSA-N 334.419 4.191 0 1 EIAF CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28005932 GIFGQVCVZIIPRG-PZJWPPBQSA-N 342.433 4.179 0 1 EIAF O=c1cc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3)cc2)[nH]1 28348424 QAQWDOPADPUECP-UHFFFAOYSA-N 345.324 4.068 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 586982268 JJIJJNINJRJJHX-UHFFFAOYSA-N 329.197 4.422 0 1 EIAF CCc1ccccc1NC(=O)c1nc2cc(OC(F)(F)F)ccc2[nH]1 587240949 LVAVQOWEDOLCOS-UHFFFAOYSA-N 349.312 4.276 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1O)O2 587381736 KRSLVVSXJQMESJ-HNNXBMFYSA-N 337.297 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1ccccc1)O2 587392402 ZECPDGLIGIWGNF-HXUWFJFHSA-N 332.403 4.134 0 1 EIAF Cc1ccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)co2)cc1 587394700 ZDNJEQPCYITJRD-GOSISDBHSA-N 334.375 4.247 0 1 EIAF CC[C@H](C)Oc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440757 QJNBZOKUMJSYAO-LKNMKHRSSA-N 338.403 4.361 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1Cl)CC2=O 587462853 RPADXSIZBXGLJH-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(F)c1)CC2=O 587467919 TXXRRRZFANBEIQ-FQEVSTJZSA-N 328.383 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccccc3OC1)CC2=O 587481056 AAUZUDQOBRSNMW-NRFANRHFSA-N 338.403 4.074 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C[C@@H](N)C(=O)O)c2c1 587642047 IZBOIKSLWDDESZ-FZKQIMNGSA-N 336.435 4.303 0 1 EIAF CC(C)c1ccc(C[C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962926673 YRQZENRGBMVQRC-PZJWPPBQSA-N 341.426 4.006 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC(=O)C[C@H](c3ccco3)C2)N1 962951582 IAEVCZQTRTXELV-KIMHZCHSSA-N 348.446 4.417 0 1 EIAF CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3ccccc3)ncc21 1772606922 FEUYQCFUSRLTRF-UHFFFAOYSA-N 336.439 4.177 0 1 EIAF Cc1nc2cc(N3CCN(c4cncc5ccccc45)CC3)ccc2o1 1857559584 CLFNODWZJZOKIP-UHFFFAOYSA-N 344.418 4.011 0 1 EIAF CC=C(C)C(=O)O[C@H]1C[C@H](C)c2c(c(O)c3occ(C)c3c2C)C1=O 2356691588 PCKTVUSCRGCLKU-GWCFXTLKSA-N 342.391 4.323 0 1 EIAF c1nc(NCc2ccc3c(c2)OCO3)c2cc(-c3ccoc3)ccc2n1 36380620 NSNDFDGDMWBHFR-UHFFFAOYSA-N 345.358 4.231 0 3 EIAF COc1ccc(SCCN2CC[C@@H](C(C)(C)C)CCC2=O)cc1 36382980 RDLGJEXQAROTNZ-HNNXBMFYSA-N 335.513 4.462 0 3 EIAF CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 899033 OWGJQNXIWMMDTH-ZDNVTZCJSA-N 339.479 4.087 0 1 EIAF O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCc2ccccc2C1 19169763 HGBFPXXRQZSKCV-UHFFFAOYSA-N 348.358 4.053 0 1 EIAF CO[C@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1N2C 27901479 ODOVOZRQRRUTGF-ANULTFPQSA-N 337.463 4.043 0 1 EIAF COc1ccc(-c2ccc3c(c2)CCC[C@@]3(O)c2ccncc2)cc1F 40955057 LRECNGBVUUBJSA-JOCHJYFZSA-N 349.405 4.469 0 1 EIAF COc1cc(OC)c(OC)cc1CC[C@@H](O)c1ccc(Cl)cc1 64548898 PNZXRJJKHYMBQA-OAHLLOKOSA-N 336.815 4.032 0 1 EIAF Cc1ccccc1-n1cc(CSc2nc3ccccc3s2)nn1 73197177 ZPFXQILOJLTRIE-UHFFFAOYSA-N 338.461 4.478 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@@H](N(c1ccccc1)c1ccc(C(=O)O)cc1)C2 100855500 HJTWGPZBUGCLJE-ACDBMABISA-N 336.435 4.148 0 1 EIAF CCCCCCNC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 145490041 ZDJZFDUXRZUEIT-YOAKYQGISA-N 337.504 4.151 0 1 EIAF COc1ccc([C@@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc1OC 238740083 KLVQONDOFFKFBN-RRMDADRESA-N 340.419 4.393 0 1 EIAF N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058702 YNPFARBHZKWXNX-LBPRGKRZSA-N 339.748 4.478 0 1 EIAF FC(F)(F)c1cnc2[nH]c(CNc3ccccc3Cl)nc2c1 587061324 DJHCWOQHRRRYHN-UHFFFAOYSA-N 326.709 4.242 0 1 EIAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1C 587105352 ZEKFKNYSHGOXJN-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3c(Cl)ccnc3[nH]2)c(N)cc1F 587136770 VOFKWOWQOVNEKB-UHFFFAOYSA-N 334.782 4.177 0 1 EIAF NCc1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587247248 XAEHMTWYAWAJKF-UHFFFAOYSA-N 329.403 4.268 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(CC3CCCCC3)n1)O2 587392910 XJEFYSRQJAVKCI-LJQANCHMSA-N 339.439 4.061 0 1 EIAF COc1cc2ccccc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587403151 KFUNXXRPBOODCE-HXUWFJFHSA-N 333.387 4.446 0 1 EIAF CCOc1c(Cl)cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420980 KBQALJSFSQUUHT-FZKQIMNGSA-N 344.794 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(C)cc13)CC2=O 587481884 IQZHBSJOLFDIKP-GOSISDBHSA-N 336.391 4.236 0 1 EIAF C[C@@]1(c2ccsc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587530295 DYGNXGAMHYOWQT-IBGZPJMESA-N 342.416 4.206 0 1 EIAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 587629738 ZQPNLYLFATUVQZ-UHFFFAOYSA-N 341.720 4.345 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 587952253 NNJMUGJJMZLILX-IOASZLSFSA-N 330.428 4.381 0 1 EIAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@H](C)C3)[C@@H]2CC1 1772588257 YFOLGCJWYIGIKF-LRZJHUIJSA-N 331.500 4.343 0 1 EIAF COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356649062 YEXGDORSPJNFAG-HRQSHJORSA-N 346.467 4.154 0 1 EIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccccc1 81631 LMTOUHLEUVLGSR-UHFFFAOYSA-N 332.425 4.476 0 1 EIAF CC(C)c1cn2c(NC(=O)C3CCCC3)nc(-c3ccccc3)nc2n1 13492005 OFPIEKUICFGVGC-UHFFFAOYSA-N 349.438 4.043 0 1 EIAF CCCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O 13586421 URESDUZRUOSGFQ-NRFANRHFSA-N 336.435 4.214 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26386065 YUEVEZWXYBGVTF-IQDNOJKJSA-N 345.527 4.301 0 1 EIAF Cc1cccc(C)c1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28455229 UIUNHCNUHMKBER-UHFFFAOYSA-N 327.391 4.008 0 1 EIAF CCCN(CCC)[C@H]1COc2c(cccc2C(=O)c2ccccc2)C1 29343685 GUEHAKSGYHUPRR-LJQANCHMSA-N 337.463 4.343 0 1 EIAF Cc1cccc(C)c1CNc1cc(-n2cccn2)cn2c(C)c(C)nc12 40379094 NVTYARUVRYHLSU-UHFFFAOYSA-N 345.450 4.366 0 1 EIAF c1ccc(-c2cn(C[C@H]3Cc4c(ccc5ccccc45)O3)nn2)cc1 45289089 STVLEDPDAPNINO-QGZVFWFLSA-N 327.387 4.102 0 1 EIAF CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(O)cc2)cc1 95597155 NMWXGNOBEGGAOE-UHFFFAOYSA-N 344.418 4.301 0 1 EIAF OC1(c2ccc(Cl)cc2)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 100947961 WTEIJIHIMKEQPY-ROUUACIJSA-N 327.855 4.070 0 1 EIAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccsc1 102980951 BHEWIMCVPYNGOS-HNNXBMFYSA-N 331.437 4.365 0 1 EIAF O[C@@H]1C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 586904312 TUEBTJQJXCYYAJ-BXUZGUMPSA-N 347.187 4.034 0 1 EIAF OC1(c2nc3ccc4ncccc4c3[nH]2)CCC(C(F)(F)F)CC1 587126699 MERVPRFENFLFMN-UHFFFAOYSA-N 335.329 4.051 0 1 EIAF O=C(CCCS(=O)(=O)Cc1ccccc1)c1coc2ccccc12 587281125 XHZAZTKKQMUGMI-UHFFFAOYSA-N 342.416 4.011 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Cl)ccc3C1)O2 587379537 JFSBLSUQPSLZCY-IBGZPJMESA-N 327.811 4.124 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1ccccc1C)[C@@H](C2)C3=O 587446477 XNGWSBGUQSVRFM-RQXXJAGISA-N 334.415 4.313 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(C)cc41)[C@@H](C2)C3=O 587452343 MCFHMCYRRIKLQM-MGPUTAFESA-N 338.428 4.142 0 1 EIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 587528883 FXJDHLKXGQDEBF-ZFCHPYFUSA-N 332.443 4.047 0 1 EIAF COc1cccc(CCc2nc3cc(Br)cc(C)c3[nH]2)c1 587932065 VZFIKHSFXVEFPB-UHFFFAOYSA-N 345.240 4.428 0 1 EIAF C[C@]12CC[C@@H]3C(=O)O[C@H](c4ccco4)C[C@]3(C)[C@H]1CCC=C2C(=O)O 2356407087 OVBSRGHUSFLVGK-NPACWLSJSA-N 344.407 4.111 0 1 EIAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(F)cc2)O1 72140774 JSDNDBCFARLCMV-YOEHRIQHSA-N 334.387 4.410 0 3 EIAF CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1CO 13215353 MJYYHAFJMFJSDR-XXFAHNHDSA-N 343.254 4.282 0 1 EIAF CCCc1noc(-c2ccc(C(=O)NC[C@H]3CCCC3(C)C)cc2)n1 13864691 NDZHEZRTRXOGFW-MRXNPFEDSA-N 341.455 4.245 0 1 EIAF CCC(/C=C/C(=O)N1CCCCC1)=C\c1ccc(OC)c(OC)c1 40900927 SCBKKVXFYYVBTF-RHYUXORRSA-N 329.440 4.066 0 1 EIAF CO[C@@H]1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 40957641 MIDVFMBEYNBGIQ-SFHVURJKSA-N 335.513 4.165 0 1 EIAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)c(-c2ccc(O)cc2)c1 72107541 BDIATJTVVGGVGF-DYVFJYSZSA-N 338.403 4.159 0 1 EIAF O=NC=C1C=CN(C/C=C/C[n+]2ccc(-c3ccccc3)cc2)C=C1 138312149 PILGUHPWYFUNIN-SNAWJCMRSA-N 330.411 4.191 0 1 EIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2ccc(Cl)cc2)cc1 299832311 LOSVTNXPYROEAV-UHFFFAOYSA-O 347.825 4.169 0 1 EIAF O=C(Nc1cccc(-c2ccccc2)c1)Nc1ccc(C(=O)O)c(O)c1 584904696 FJUJZHPFSHEAMU-UHFFFAOYSA-N 348.358 4.401 0 1 EIAF in-vitro COC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894790 VBWCYKCEGLYJQM-UHFFFAOYSA-N 346.471 4.395 0 1 EIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586906089 IYVSKTXRHPVUNA-ZETCQYMHSA-N 332.709 4.044 0 1 EIAF Cc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587020588 VPUQASIBTRPAQF-UHFFFAOYSA-N 344.440 4.266 0 1 EIAF Cc1nn(-c2cccc(-c3nc4ccc(O)cc4[nH]3)c2)c(C)c1Cl 587064358 AEQSYMJTANOEMB-UHFFFAOYSA-N 338.798 4.391 0 1 EIAF COc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Cl 587113233 UHRRVQURDSXTPG-UHFFFAOYSA-N 329.709 4.249 0 1 EIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)cc(F)c2[nH]1 587175548 UJMYPSJJTHXGHF-ZDUSSCGKSA-N 346.768 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1N(C)C1CC1)O2 587385778 QAZMAVSHVLMTGX-LJQANCHMSA-N 340.398 4.021 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422257 SOECDJLBZJTHJE-KBXCAEBGSA-N 348.320 4.377 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1OC)CC2=O 587467365 UEKTWVVCOSYIMD-INIZCTEOSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1CC)CC2=O 587489066 MOYUCBCGRDZEOH-LJQANCHMSA-N 326.392 4.319 0 1 EIAF C[C@]1(c2cccc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587529583 PNGMXOYFFGDRJM-OAQYLSRUSA-N 336.387 4.144 0 1 EIAF COc1ccc(-c2ccc(-c3nc4cnccc4[nH]3)c(O)c2)cc1OC 587928037 WPRLKSXRSORPNY-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF COc1ccc(-c2nc([C@@H]3NCCc4cc(C)c(F)cc43)co2)cc1 962096088 ZWMQXAFTSXWORT-LJQANCHMSA-N 338.382 4.033 0 1 EIAF C[C@H](OCc1ccccc1)[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963095244 CNRSAITWKLQNJO-XERREHJYSA-N 325.427 4.493 0 1 EIAF COc1cc(OC)cc(-c2ccc(-c3ccc(C(=N)N)cc3)s2)c1 1772611735 TZXWJBNPRNXSTH-UHFFFAOYSA-N 338.432 4.383 0 1 EIAF O=C(Nc1ccccc1)c1nn(Cc2ccccc2)c2ccccc12 1857580459 FMOPTLGNJJSCQU-UHFFFAOYSA-N 327.387 4.337 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C 2356562605 XYBAYFQGNADPLS-MISYRCLQSA-N 330.424 4.172 0 1 EIAF COc1ccc2[nH]c(C(=O)c3ccc(Br)cc3)cc2c1 13471014 CHGYRZZEORVLFK-UHFFFAOYSA-N 330.181 4.170 0 1 EIAF CCCC(=O)N1CC[C@@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741118 LELCWPHONZBTEW-MRXNPFEDSA-N 331.456 4.133 0 1 EIAF CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12 13781792 ITDUWLWLANXIAE-UHFFFAOYSA-N 337.419 4.101 0 1 EIAF O=C(O)C1=CCCN(CC/C=C(/c2ccccc2)c2cccs2)C1 13827943 OTOKXSJYAFUDLF-ZDLGFXPLSA-N 339.460 4.287 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@]12O 14513249 CALDUYGLNFEUDP-NJYVYQBISA-N 342.435 4.039 0 1 EIAF 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Fc1ccc2nc([C@@H]3CCN(Cc4c[nH]c5ccccc45)C3)[nH]c2c1 51048214 UHRVBZWUBQZZKL-CYBMUJFWSA-N 334.398 4.173 0 1 EIAF biogenic Cc1ccc2cc(-c3n[nH]c4ccc(N[C@@H]5CCCNC5)cc34)[nH]c2c1 66077224 FDGMBQPEHIDLGV-MRXNPFEDSA-N 345.450 4.184 0 1 EIAF Cc1ccccc1[C@@H](Cc1ccnc(NC(N)=O)c1)c1ccccc1 141271791 BSHKGGXYCSBQHD-IBGZPJMESA-N 331.419 4.255 0 1 EIAF Nc1nc(N)c2cc(Sc3cc(Cl)ccc3Cl)ccc2n1 169337654 OGBRYXKGKMSIAK-UHFFFAOYSA-N 337.235 4.252 0 1 EIAF O=c1oc2cc(Cl)ccc2n1CN1CCCC[C@H]1c1ccccc1 169341754 NQFROQUYWAKXBH-INIZCTEOSA-N 342.826 4.433 0 1 EIAF C/C=C/C=C\C=C(/C=O)[C@@H](OCc1c(O)cccc1CCC)C(C)=O 169352295 PKFDPDJJEWMKLV-KSLUPHSZSA-N 342.435 4.077 0 1 EIAF Cc1ccc2cc(C(C)(C)O)c(O)c3c2c1C(=O)CCC(C)(C)O3 238747611 KSDFTFBWBVMNAD-UHFFFAOYSA-N 328.408 4.215 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 238757996 NITWZXGUPPFECT-ITYDDXBXSA-N 330.424 4.257 0 1 EIAF CC1(C)[C@H]2C[C@@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 299816022 OQEQNRBNOUUEML-CFAJVAMVSA-N 348.903 4.187 0 1 EIAF 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Cc1nc(C)c(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 587012033 LOHWZFUCZKYPKW-UHFFFAOYSA-N 349.463 4.058 0 1 EIAF CCc1cc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Cl 587052902 SDFYSCDJYPPJRU-UHFFFAOYSA-N 348.761 4.195 0 1 EIAF Cc1c(F)ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 587233331 NBOQEGIKBHQMKT-AAEUAGOBSA-N 333.407 4.171 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)c(C)c1)O2 587397273 ZDJPWNBHKNGHIU-FQEVSTJZSA-N 336.435 4.192 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O 587448138 ZBWHJFDQZNLZJZ-TVTNDZMWSA-N 334.415 4.481 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1csc4c(C)nccc14)[C@@H](C2)C3=O 587452478 NJVFIQLPYFGKGN-UGSOOPFHSA-N 337.400 4.102 0 1 EIAF COc1ccc(C=O)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587788139 XDXCJQJRUDNWAI-UHFFFAOYSA-N 338.260 4.209 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)cc2)N1 587820548 PXGFBSSUVIIKLE-DYZYQPBXSA-N 348.215 4.024 0 1 EIAF CCCN1[C@@H](c2cc(F)c(O)c(OC)c2)c2ccccc2C[C@H]1C 963226178 GTIOGZFPPVHXQY-YJYMSZOUSA-N 329.415 4.286 0 1 EIAF CCCc1cc([C@@H](O)[C@@H]2C[C@H]3CCN2C[C@@H]3CC)c2ccccc2n1 1772645941 CRRCFFHYTPMEMW-VYXDICFBSA-N 338.495 4.341 0 1 EIAF COc1ccc(-c2[nH]nc3c2C(=O)c2cc4ccccc4cc2-3)cc1 13492122 DEYIWUIVHJZMLD-UHFFFAOYSA-N 326.355 4.450 0 1 EIAF CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1 13734596 KPQVFXHERXUYEX-UHFFFAOYSA-N 343.883 4.130 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C)[C@]12C 15220699 MHHDTKFGMDYVQU-NDSDBLNTSA-N 332.440 4.252 0 1 EIAF biogenic CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@@H]12 26392264 YFWPHJWDVIVLDC-SECQQYICSA-N 343.511 4.175 0 1 EIAF O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@H](CCc3ccccc3)CN12 27521906 FUFUOVKHYWVUGP-UYAOXDASSA-N 341.838 4.147 0 1 EIAF C[C@H]1CCCC[C@@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O 40849136 VYEYDYUNTJWMSG-MGPLVRAMSA-N 341.238 4.276 0 1 EIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1ccc(-c2ccccc2)cc1 96248457 ZJKAIWIQCVGYKH-FCHUYYIVSA-N 348.490 4.359 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 101248016 WJTQAIIEUXLAEB-FJWRRNOESA-N 326.436 4.324 0 1 EIAF CCCCN(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 103232564 NPCXVQNSWZDIKS-UHFFFAOYSA-N 335.245 4.220 0 1 EIAF COC(=O)C1=CC=CC2=C(CC[C@@H](C)[C@]2(C)CCC2=CCOC2=O)C1 139508524 PIUNJECLYLKWTN-SZNDQCEHSA-N 342.435 4.042 0 1 EIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1 200209861 YWYOWTPSPBDOMO-UHFFFAOYSA-N 339.844 4.144 0 1 EIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586897142 RYKULCRVXYCSMH-UHFFFAOYSA-N 344.370 4.389 0 1 EIAF Cc1c(Br)ccc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897260 XDLQIMFVOFMICF-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF Fc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005207 CJMOAEDWDDWROV-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085522 XVUKGGDRGSHOBB-INIZCTEOSA-N 337.770 4.155 0 1 EIAF Nc1ccc(-c2ccc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3c2)cc1N 587092917 IIXWZJFNFKBWEH-QWRGUYRKSA-N 332.329 4.060 0 1 EIAF c1ccc(CN2C[C@@H]3CCc4nc5cccc6c5c(c4[C@@H]3C2)CC6)cc1 587212073 LACCIWLYEVAZMC-AZUAARDMSA-N 340.470 4.495 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1ccccn1)O2 587386044 WZYOBVWTXJKFLM-NRFANRHFSA-N 348.377 4.020 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C=O)sc3s1)O2 587414341 LTCTWQAOCRLYJM-CQSZACIVSA-N 343.429 4.372 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H]1CC[C@@H](C1)C2 587603264 LICMMIYBXZMGMT-DEYYWGMASA-N 336.387 4.303 0 1 EIAF COc1ccc2c(c1)[C@@](C)(c1sc(C)nc1C)N(C(C)C)CC2 962086851 DICMMKXFJPNZNF-IBGZPJMESA-N 330.497 4.299 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3nn(C)c(C)c3c2)N1 962950748 SPVOGURVNHZWAU-YCRPNKLZSA-N 344.462 4.377 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1c[nH]c2nccc(Cl)c12 963110164 QPPRZXUJOWRKFS-FZKQIMNGSA-N 341.817 4.465 0 1 EIAF CCOC(=O)c1c(-c2ccccc2)oc2nc(N3CCCC3)ccc12 1857545424 BPDYBIMVOIAKHP-UHFFFAOYSA-N 336.391 4.272 0 1 EIAF C=C(OC)C1=CO[C@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12 2356456741 OZWKLHPDZNRGGY-FHLIZLRMSA-N 346.430 4.392 0 1 EIAF O=C(O)/C(=C\c1cccs1)Sc1nnc(-c2ccc(F)cc2)o1 6566663 LWJYWEHKTWJUPP-XYOKQWHBSA-N 348.380 4.155 0 3 EIAF COc1ccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1 61895608 PSMVQXQAGSUKGZ-HXUWFJFHSA-N 330.387 4.320 0 3 EIAF C[C@@](O)(c1cccnc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61906074 SLNNLFIDBLHDJT-MRXNPFEDSA-N 334.803 4.253 0 3 EIAF S=c1[nH]c2cc(Cl)cc(OCCNCc3ccccc3)c2[nH]1 1547101 HMFWWORRYDWEDS-UHFFFAOYSA-N 333.844 4.047 0 1 EIAF O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2cc[nH]c2c1 13673992 FSMUAKCRGWVIQV-UHFFFAOYSA-N 348.189 4.437 0 1 EIAF CN(C)C[C@@H]1C[C@H]2c3ccc(Cl)cc3Cc3ccccc3N2O1 26567214 RCJWVLIRJLNAIE-LPHOPBHVSA-N 328.843 4.057 0 1 EIAF CCCCn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O 26578441 ACUIUVJHJBPANP-UHFFFAOYSA-N 331.419 4.151 0 1 EIAF COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(C2CCCCC2)n1 28867832 YQNNBBMDHOQZMS-UHFFFAOYSA-N 337.423 4.264 0 1 EIAF COc1ccccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 35899982 UQKFMYNAWZIXRR-RHSMWYFYSA-N 341.476 4.291 0 1 EIAF COc1ccc(C(=O)CCC2CCCCC2)cc1O[C@@H]1CCOC1 40846542 HKRINOXVCHQASS-QGZVFWFLSA-N 332.440 4.406 0 1 EIAF Cc1cccc(-c2nc(C(C)(C)C)cn2-c2ccc3c(c2)OCO3)n1 43024666 SAJYCYWOADEJFB-UHFFFAOYSA-N 335.407 4.269 0 1 EIAF O=C(c1ccccc1)c1ccc(Oc2cc(N3CCCC3)ncn2)cc1 82067463 WLUDMXKIQHKOBT-UHFFFAOYSA-N 345.402 4.100 0 1 EIAF O=C1Nc2ccc(Cl)cc2/C1=C/c1c[nH]nc1-c1ccc(F)cc1 95601587 YTGFNQDOPANIOG-CHHVJCJISA-N 339.757 4.362 0 1 EIAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](OC)C[C@]4(C)[C@H]3CC[C@@]21C 95909363 VSYFJHFESQENRE-RUVDJVHTSA-N 348.527 4.220 0 1 EIAF biogenic,in-vitro O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(Cl)cc1F 117721434 MFQWPTDELQRSFF-CYBMUJFWSA-N 332.806 4.198 0 1 EIAF CN1CCc2c(c3cc(Cl)ccc3n2C[C@@H](O)c2ccccc2)C1 169350484 VFQPIPKLBMSSPS-HXUWFJFHSA-N 340.854 4.016 0 1 EIAF COc1c(OCC=C(C)C)cc2c(OC)c3ccoc3nc2c1OC 238740933 WZRBFIYGDIZDSG-UHFFFAOYSA-N 343.379 4.352 0 1 EIAF Cc1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905000 FQRMULMKWPSDQW-QMMMGPOBSA-N 338.194 4.203 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 586963906 RVFOVPNLPGQBFM-VIFPVBQESA-N 349.257 4.061 0 1 EIAF COc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1F 586977058 MWSIFSPSMFZZLK-UHFFFAOYSA-N 349.203 4.372 0 1 EIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587069978 NWUONYOBFFFVNK-SNVBAGLBSA-N 338.213 4.294 0 1 EIAF CCOC(=O)c1ccc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2c1 587078926 DGWYQNIPVMRBOQ-JTQLQIEISA-N 346.818 4.228 0 1 EIAF Cc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587204059 HNEPAYSVHXKYHA-OAHLLOKOSA-N 331.460 4.353 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)cc1F)O2 587381936 ITPCCTTUOFBKKY-HNNXBMFYSA-N 337.297 4.024 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(C1CC1)[C@@H](C2)C3=O 587446157 UUIFAPLJGSJOAU-PGRDOPGGSA-N 334.415 4.143 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@@H](C)CCC)CC2=O 587486645 SHFBOUKCABQCCG-RBZFPXEDSA-N 348.439 4.191 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c[nH]nc3c1)CC2=O 587487493 VVUFLZNPDJHCDB-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF COc1ncc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499198 LQHXNDOVCTXTMK-KRWDZBQOSA-N 343.810 4.329 0 1 EIAF CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587522499 IHMOHEKCHPFEPA-NQIIRXRSSA-N 326.436 4.249 0 1 EIAF CC[C@@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525901 WDFIWAYGIIVWQJ-XCLFUZPHSA-N 330.424 4.021 0 1 EIAF CCC[C@H]1CC[C@H]([C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587562213 RXFNNHNKMHAZBU-IHRRRGAJSA-N 341.455 4.147 0 1 EIAF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2c(C(=O)O)cccc12 587638995 XYFDFJIKCKGRBH-UHFFFAOYSA-N 330.384 4.481 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587952643 VAYQBVIMKYOJIG-YEWWUXTCSA-N 343.471 4.311 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ncc(Cl)cc1C 963256189 BOLBDNNEEIABJT-KRWDZBQOSA-N 337.250 4.115 0 1 EIAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccccc1 1772582665 JILJQCDAJDCJDA-KRWDZBQOSA-N 326.783 4.135 0 1 EIAF O=[S@](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 1857542960 AXENRPOALXGSFW-VGOFRKELSA-N 331.437 4.321 0 1 EIAF COc1ccc([C@@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 1857746008 OXDLXKSKCAXVPS-NRFANRHFSA-N 341.426 4.047 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 2356334071 YXIXITUSOJUAND-PLLFKMAZSA-N 330.424 4.305 0 1 EIAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 2356660923 VOZNRJDFORFHSI-DZOXSVECSA-N 346.467 4.135 0 1 EIAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccc(O)cc2)cc1 12026859 XRAVIFZJLHOFID-MRXNPFEDSA-N 325.452 4.053 0 1 EIAF COC1=CC2=CC[C@@H]3[C@H](C(=O)C[C@@]4(C)[C@@H]3CC[C@@]43CO3)[C@@]2(C)CC1 16028054 AKWAWNXESMOSLR-DIVOGAJISA-N 328.452 4.037 0 1 EIAF biogenic COc1ccc(C2=C(c3ccc(C)cc3)C(=O)N3CCC[C@@H]3C2)cc1 28949731 FVMYFELVULVLEV-GOSISDBHSA-N 333.431 4.309 0 1 EIAF O=c1c2c([nH]c3ccc(-c4ccc(F)cc4F)cc13)CCSC2 72112018 YBKRWFMCNAXMQX-UHFFFAOYSA-N 329.371 4.263 0 1 EIAF Cc1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 72128590 GXOHXQVIVZNRPK-UHFFFAOYSA-N 340.496 4.458 0 1 EIAF COc1ccc(C(=O)c2coc3cc(Br)c(O)cc23)cc1 72177501 XQXMVCAEQOYQNK-UHFFFAOYSA-N 347.164 4.141 0 1 EIAF COc1cccc(-c2ccnc(NCc3ccc(Cl)cc3)n2)c1 96271441 AGVJTKJACRWQPP-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF COc1cc(OC)c2c(=O)n(-c3cccc(C(F)(F)F)c3)ccc2c1 96938018 YWTADVWRIQYBNC-UHFFFAOYSA-N 349.308 4.027 0 1 EIAF c1ccc(COC[C@]23N[C@@H](Cc4ccccc42)c2ccccc23)cc1 100660002 YPQFFHHHVNALDI-GOTSBHOMSA-N 327.427 4.347 0 1 EIAF Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@H]2CCCC[C@H]2C3)cc1 136069523 WPKQJUXBHISZDT-JKSUJKDBSA-N 340.492 4.125 0 1 EIAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCC(=O)O)cc2)cc1 144754505 HJTGXTXPIYURLA-QGZVFWFLSA-N 337.463 4.398 0 1 EIAF O=CNc1cc(C(=O)O)cc(NCc2ccccc2)c1-c1ccccc1 169343296 BXPAUPIKOINAOJ-UHFFFAOYSA-N 346.386 4.232 0 1 EIAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023053 CTPZONQLAXQVLZ-CYBMUJFWSA-N 341.421 4.139 0 1 EIAF Cc1cccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587061625 WLRMDYOAMHNQOP-UHFFFAOYSA-N 335.798 4.061 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccncc1)O2 587396091 WTWRQSDXOOXEGG-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O 587437734 JMWOYNJWUFCXBY-KSFYIVLOSA-N 345.398 4.074 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c5c(ccc14)CCC5)[C@@H](C2)C3=O 587438118 MKAUJOSDHALHLV-KSFYIVLOSA-N 345.398 4.154 0 1 EIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)N(C)C(C)(C)C1 587473982 BJHIGWBRMDHHLR-UHFFFAOYSA-N 345.483 4.332 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](COc1cccc(C)c1)CC2=O 587480675 ORDWMRBGWVKREX-HNNXBMFYSA-N 326.392 4.066 0 1 EIAF O=C1C[C@]2(CCCc3c(O)cccc32)Oc2c1ccc1c2CCCC1 587532213 JSMFYJBNGBNUGI-QFIPXVFZSA-N 334.415 4.468 0 1 EIAF C[C@@]1(c2nc3c(s2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587535599 MRYTVFIOLYUQAT-FQEVSTJZSA-N 339.460 4.391 0 1 EIAF CCn1c(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577049 LRARPPCGQBVFPR-NQIIRXRSSA-N 349.386 4.225 0 1 EIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(F)cc1 587630604 MKZKZLFUSXEUMB-UHFFFAOYSA-N 349.720 4.117 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(F)(F)F)N1 587709196 JFKQBNGZIVKTTM-MUWHJKNJSA-N 326.131 4.116 0 1 EIAF CC[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587773083 HWHIVARRVZDTID-PIGZYNQJSA-N 349.247 4.171 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]ccc32)N1 587802364 LRZZCZJSLNGPFI-BTDLBPIBSA-N 349.247 4.030 0 1 EIAF Cc1nc(-c2cc3ccc(OCC(C)C)cc3[nH]2)sc1C(=O)O 653690494 GGYBLZZCMPUFIO-UHFFFAOYSA-N 330.409 4.333 0 1 EIAF Cc1sc2c(c1C)CCN[C@@H]2c1nc2ccccc2nc1Cl 963016944 CZYHWQRKXIISRB-CQSZACIVSA-N 329.856 4.197 0 1 EIAF CC(C)C(=O)c1c(O)cc(OCc2c(F)cccc2Cl)cc1O 1772581734 JQWVRSNMQLJCPP-UHFFFAOYSA-N 338.762 4.308 0 1 EIAF COc1ccc2c(c1)CCN(C[C@@H](F)CCc1ccccc1)CC2 1857557504 QFDHJYYSLWOLRS-FQEVSTJZSA-N 327.443 4.067 0 1 EIAF CCCCCC=CC=C[C@@H]1OC(=O)c2c(O)ccc(O)c2[C@@H]1OC 2356563682 MERZFCDASXJJEF-MAUKXSAKSA-N 332.396 4.017 0 1 EIAF Cn1cc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)cn1 74388654 NFLLLHWSKFPXBP-UHFFFAOYSA-N 343.312 4.044 0 3 EIAF O=C(Nc1ccc(F)cc1)Nc1c(-c2ccccc2)nc2ncccn12 203466126 ZLNNXEASGIOJOQ-UHFFFAOYSA-N 347.353 4.179 0 3 EIAF Clc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1 4239269 KWZVULZZHSDNMN-UHFFFAOYSA-N 338.842 4.114 0 1 EIAF CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 7991989 FCHRJJMYSAMNDL-MRXNPFEDSA-N 336.479 4.224 0 1 EIAF COc1cc2c(cc1C(C)C)C(=O)O[C@]1(O)C(C)(C)CCC[C@@]21C 13412450 MCRAIDDVIKPKMP-VQTJNVASSA-N 332.440 4.145 0 1 EIAF biogenic C=C1[C@H](OC(=O)C=C(C)C)CC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)C[C@@H]12 14452558 DALHBHBVKMUAGC-SDKGRYJGSA-N 334.456 4.358 0 1 EIAF biogenic CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904355 WGPZAVZHAGYUOL-ZBINAFDESA-N 331.500 4.055 0 1 EIAF COc1ccc([C@@H]2CC[C@H](c3ccc(OC)c(OC)c3)O2)cc1OC 29563004 QJCGZUKQWHTSOT-IYBDPMFKSA-N 344.407 4.314 0 1 EIAF C=CC(=O)Nc1ccc2ncnc(Cc3ccc(F)c(Cl)c3)c2c1 40833788 YIDDHYKMJJSDHC-UHFFFAOYSA-N 341.773 4.138 0 1 EIAF COc1c(-c2cccc(C(F)(F)F)c2)oc2ccc(N)cc2c1=O 58574891 ADWCGMSCCAHUKP-UHFFFAOYSA-N 335.281 4.070 0 1 EIAF Nc1cccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)c1 58582086 LYSCBMZCUQLKJI-UHFFFAOYSA-N 339.439 4.187 0 1 EIAF Cc1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 73141046 MRBHGLHVXIPHQR-KRWDZBQOSA-N 338.798 4.387 0 1 EIAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cl)c(C(F)(F)F)c1 73313865 HFMTXPZDYAOPOI-AWEZNQCLSA-N 344.716 4.434 0 1 EIAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1cccc(-c3cccs3)c1)O2 84616943 CCRLYNSHUUHLKL-CVYDXHPNSA-N 328.433 4.239 0 1 EIAF CCOc1ccc(Nc2nccc(-c3nc4ccccc4n3C)n2)cc1 84652352 INVYTVJSPDWQAX-UHFFFAOYSA-N 345.406 4.173 0 1 EIAF COc1cc2c(cc1O)[nH]c1c(CC=C(C)C)c(O)c(C=O)cc12 84655232 MQUWQKZFHAMFOL-UHFFFAOYSA-N 325.364 4.062 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@@H](C)NC2 198406346 BCROKGFCTYMFLN-SECBINFHSA-N 343.477 4.017 0 1 EIAF O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@H]3[C@@H]1c1ccccc12 254113562 GTAUFWQVNOOSHQ-QCBQRGATSA-N 348.442 4.301 0 1 EIAF C[C@H](COc1cc(F)ccc1Cl)NC(=O)[C@]1(C)C[C@](C)(Cl)C1 299846032 BMANTRXNTKLEHZ-GTTSAUCSSA-N 348.245 4.160 0 1 EIAF COc1cc(OC)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1 587033201 HAOKNXUOUAKJDI-JTQLQIEISA-N 328.437 4.433 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)cnc2[nH]1 587044981 YNRUBODHWQDRAS-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)cccc2[nH]1 587076135 JRCVDBGWUIBBSK-UHFFFAOYSA-N 337.766 4.357 0 1 EIAF Cc1ccc(Cc2nc3ccc(CCO)cc3[nH]2)cc1C(F)(F)F 587095801 VSZBELCDVQEQLZ-UHFFFAOYSA-N 334.341 4.016 0 1 EIAF COc1cc(OC)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152780 QNLRALFBJBMDHF-VXGBXAGGSA-N 330.334 4.129 0 1 EIAF COC(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171857 UAWGXJOHDVWIBD-LLVKDONJSA-N 344.411 4.384 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(C)C)cc1)O2 587398852 FSZWUQKZEVIGIY-FQEVSTJZSA-N 325.408 4.245 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](O)c3ccccc31)CC2=O 587487418 ZQTQBDCPPCENJQ-WIYYLYMNSA-N 338.403 4.033 0 1 EIAF Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600619 BLRSXQAPAGANKZ-RXVVDRJESA-N 332.355 4.404 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CC1)CC2 587604951 WDZSRHVHADYKGP-QGZVFWFLSA-N 336.387 4.447 0 1 EIAF C(=C\c1nc2ncc[nH]c-2n1)\c1ccc(OCc2ccccc2)cc1 587784274 OEIZMWHOOPOGDK-FLIBITNWSA-N 328.375 4.054 0 1 EIAF C[C@@H](O)CCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587826341 AIFBHLYGWOLUEO-JTNHKYCSSA-N 344.268 4.105 0 1 EIAF Cc1ccccc1O[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874007 RZQRFIPGHPJUEA-GFCCVEGCSA-N 338.338 4.211 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@]21c2cccc(F)c2CC[C@@H]1C 963259993 VOSDHTNUKVIBCL-FKIZINRSSA-N 345.845 4.459 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@@H](C)Cc1ccccc1 963604068 DQGYWRYDKHQUBV-VFCRVFHLSA-N 325.452 4.158 0 1 EIAF C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(-c2ccccc2)c1 1772582797 KFKFNYAICGALSE-OAHLLOKOSA-N 342.398 4.341 0 1 EIAF CCCCCNC(=O)n1c(=O)oc2cc(-c3ccc(F)cc3)ccc21 1857576718 XUZCRZZNANSFFI-UHFFFAOYSA-N 342.370 4.149 0 1 EIAF COc1ccc([C@@](C)(O)c2nc(-c3ccoc3)nc3ccccc23)cc1 1911571753 USLHJGWCQIJIGV-OAQYLSRUSA-N 346.386 4.154 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@]2(C)[C@@H]1C 2356340835 ZDOYGSHCBQYFAX-ZHKLBRLOSA-N 332.440 4.108 0 1 EIAF CCCCC[C@H](O)[C@H](O)C=CC=CC=CCC=CCCCC(=O)O 2356388101 RFCYXKNVYQOCTM-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3ccccc3)cs2)c1 61906032 JOIHZURXQLDSSE-SFHVURJKSA-N 338.432 4.044 0 3 EIAF O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2F)N1c1cccnc1 4917977 ODECNTKDFPSLTN-SFHVURJKSA-N 337.329 4.131 0 1 EIAF O=C(Cc1ccc(-c2cccc(F)c2)cc1)Nc1cc(C2CC2)[nH]n1 13580486 ZODJDUZBNLTRCH-UHFFFAOYSA-N 335.382 4.274 0 1 EIAF CO[C@H]1C[C@@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@H]1N2C 13643546 ODOVOZRQRRUTGF-BURNTYAHSA-N 337.463 4.043 0 1 EIAF CC(C)=CCC/C(C)=C/CCC[C@@H](P(=O)(O)O)[P@](C)(=O)O 13742057 PNXHNOHUDILHSH-KADHNRKRSA-N 338.321 4.253 0 1 EIAF CC/C=C\C/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC 14768291 QXHLHGKKWDCOOY-DCQCSHFVSA-N 348.483 4.263 0 1 EIAF COc1cc2ccc1Oc1cc(ccc1O)CCC(=O)CCCC2 15251114 QUSSPXNPULRXKG-UHFFFAOYSA-N 326.392 4.421 0 1 EIAF endogenous,in-man COC(=O)COCCCCc1ccc(CCCc2ccccc2)s1 26935868 NZCOBEXVGVOERV-UHFFFAOYSA-N 346.492 4.436 0 1 EIAF CN(C)C[C@@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 28873435 YMCGWFAISRHARH-GLJUWKHASA-N 329.875 4.055 0 1 EIAF CN1CCC(C)(OC(=O)c2ccccc2CCc2ccccc2)CC1 29314926 MHHQIBXVGQSIKD-UHFFFAOYSA-N 337.463 4.113 0 1 EIAF Fc1cccc(F)c1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 72107015 HMZKMRJTAHQVIW-GJZGRUSLSA-N 346.768 4.356 0 1 EIAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1 82156937 DPWBMDCSWXQAOO-PTNGSMBKSA-N 332.197 4.075 0 1 EIAF Cc1cccc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)n1 95569397 JQVHDQRNZLAXIV-UHFFFAOYSA-N 340.390 4.048 0 1 EIAF Cn1cc(-c2ccc3cnn(Cc4ccc5ncccc5c4)c3c2)cn1 96272726 LNULRIFOOHDLKU-UHFFFAOYSA-N 339.402 4.033 0 1 EIAF COc1ccc(CCCCC(=O)C(F)(F)C(F)(F)F)cc1OC 96915464 UASDTMKIMAJYRD-UHFFFAOYSA-N 340.288 4.183 0 1 EIAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]1(C)CC(=O)c1ccoc1)[C@@]23C 197208260 YVLGLKBVQAHOHD-LXMLUCMBSA-N 330.424 4.247 0 1 EIAF CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1F 204709526 IJRLFESOFNTRLB-UHFFFAOYSA-N 338.382 4.217 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 586882057 IVSQWMSWHOLREL-UHFFFAOYSA-N 344.773 4.284 0 1 EIAF Clc1cnc(Cl)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 587017193 SNOWDTRTMVNSOS-QMMMGPOBSA-N 341.223 4.240 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)c(C)c2[nH]1 587065242 MSRHBRZPONKARI-UHFFFAOYSA-N 348.761 4.064 0 1 EIAF COc1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c12 587075569 INIXHMFLTNVCAR-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF Cn1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587111352 FPNZYMBBVYIKJG-UHFFFAOYSA-N 349.234 4.486 0 1 EIAF Cc1cc(Br)c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1F 587137814 MUSOFHWTNCUFOK-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2cc(F)c(F)c(F)c2[nH]1 587228639 FFWDRENARIMDKH-UHFFFAOYSA-N 349.356 4.342 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3ccc(Cl)c(C)c3[nH]2)c1C 587238506 AXRXTLRMKKRUBW-UHFFFAOYSA-N 327.815 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3ncoc13)CC2=O 587482857 KXXGSKUQTJQGBQ-HXUWFJFHSA-N 337.375 4.367 0 1 EIAF CCCCC[C@@]1(C(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587485943 XODCCNQKGZCXNJ-FQEVSTJZSA-N 348.439 4.192 0 1 EIAF O=C1C[C@@]2(CCc3cc(F)c(O)cc32)Oc2c1ccc1c2CCCC1 587509208 QSMLVNIHMWYOSE-OAQYLSRUSA-N 338.378 4.217 0 1 EIAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccccc4)c3O)c2)=N1 587934897 KALAZAVYGSPAMS-UHFFFAOYSA-N 348.402 4.111 0 1 EIAF N=c1[nH]ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949606 IPHFBHLTPROFRA-ZHACJKMWSA-N 328.375 4.333 0 1 EIAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N=c1cc[nH]cc1 1772593900 QRPCYBWBFSZSCD-UHFFFAOYSA-N 339.398 4.279 0 1 EIAF CN1C[C@](O)(c2ccc(-c3ccccc3)cc2)S[C@@H]2CCCC[C@@H]21 1857748060 MQEUZOQUQDYGIG-PWRODBHTSA-N 339.504 4.489 0 1 EIAF C[C@@H]1CCC2=C(CCC[C@]2(C)C(=O)O)[C@]1(C)CCC1=CC(=O)OC1 2356421980 BECCHEIVZOVMDH-GBLZOACLSA-N 332.440 4.257 0 1 EIAF COC(=O)C1=C(C)[C@@H]2CCc3cc(C(C)(C)O)ccc3[C@]2(C)CC1 2356766722 XYNIRRMXUOEHCW-LAUBAEHRSA-N 328.452 4.017 0 1 EIAF COc1ccc(-c2cnoc2-c2ccc(OC)c(OC)c2)cc1OC 1632227 MXIZUVYLEZMWCG-UHFFFAOYSA-N 341.363 4.043 0 1 EIAF Nc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1 6718978 RXDHJXUKBGSFRS-UHFFFAOYSA-N 337.766 4.086 0 1 EIAF CCCN(c1c(C)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1 28568712 WWGSHFNWMQPLSX-UHFFFAOYSA-N 347.480 4.177 0 1 EIAF Nc1ccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c(F)c1 40576676 HMXKVBLOKBFAIO-UHFFFAOYSA-N 334.350 4.275 0 1 EIAF Cn1c(-c2cccc(O)c2)nnc1C1(c2ccc(Cl)cc2)CCC1 40954587 PIMSKOVVWSNBGX-UHFFFAOYSA-N 339.826 4.311 0 1 EIAF CCOc1ccc(-c2cncc(C(=O)Nc3cccc(C)c3)n2)cc1 64393149 MDLXULGUOHLVMN-UHFFFAOYSA-N 333.391 4.103 0 1 EIAF C[C@H]1C[C@@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66136694 UIVXVKDVVGELNW-ZSDSOXJFSA-N 339.410 4.403 0 1 EIAF CN1C(=O)[C@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C1=O 73197069 PQXORKQLQGHHDU-OKILXGFUSA-N 348.229 4.250 0 1 EIAF COc1ccccc1CNc1cc(Oc2cccc(F)c2)ncn1 82068294 VQJPETUKSHCJSS-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)OC2CCCC2)N3C)cc1 100728638 PSQGGMTYCHMOPL-OJAHFUOMSA-N 327.468 4.047 0 1 EIAF Brc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 586883371 BOSMPWCKCONRQR-PXAZEXFGSA-N 340.224 4.092 0 1 EIAF Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(-c2ccc(F)cc2)n1C 587165674 IQZLOCPOEPRCRD-UHFFFAOYSA-N 341.777 4.078 0 1 EIAF Cc1cc(Cl)cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174472 JNPUVAIXTKUPGS-AWEZNQCLSA-N 342.805 4.388 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174907 NTZMAOZUIICNPU-OAHLLOKOSA-N 343.749 4.227 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CO[C@@H](C)c1ccccc1)CC2=O 587488223 IMMCIPMRTFDONM-GOEBONIOSA-N 340.419 4.456 0 1 EIAF COc1cccc(-c2nc3cc(C)cc(Br)c3[nH]2)c1O 587787635 NCUYOBZVNGDQLF-UHFFFAOYSA-N 333.185 4.015 0 1 EIAF COc1ccc(-c2cccc3c2NC(=O)/C3=C\c2[nH]c(C)cc2C)cn1 653685014 HFQRNJDCGQDMHO-YVLHZVERSA-N 345.402 4.195 0 1 EIAF COc1cc2c(cc1OC)[C@H]([C@H]1CCc3ccccc31)N(C)[C@@H](C)C2 962617196 BTGXDYPWTYLCIF-SDYXESRWSA-N 337.463 4.351 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc(C)ccc1F 963046535 KFIFAAFCIUIWKS-OAQYLSRUSA-N 336.410 4.100 0 1 EIAF CC(C)=CCc1cc(O)cc(Sc2ccccc2C(=O)O)c1O 1772644050 YLBDHHKLJYSCEH-UHFFFAOYSA-N 330.405 4.456 0 1 EIAF CCCCN1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)cc1 1772655279 QWHOGERPITUZKI-OAQYLSRUSA-N 336.479 4.124 0 1 EIAF Cn1c(N2CCc3c([nH]c4ccc(Cl)cc34)C2)nc2ccccc21 1857561762 GHRUDEQIHVOICX-UHFFFAOYSA-N 336.826 4.271 0 1 EIAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCCCCC1 2356329332 BIIGBOSFTFHPBH-GFCCVEGCSA-N 348.830 4.065 0 1 EIAF CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@@H]1CC[C@@H](C)CC(=O)O)[C@H]23 2356636164 XJCVTENZYOPEPX-VYWWGOBFSA-N 334.456 4.192 0 1 EIAF COCCO[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254018032 QMWXAQBRHJMZPT-KAKDVIIHSA-N 348.527 4.342 0 3 EIAF COc1cc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)ccc1O 6487289 NNYAKQAKXHZMKI-LSDHHAIUSA-N 344.451 4.475 0 1 EIAF biogenic,in-vitro CCc1c(C(=O)O)ccc2c1CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 13399936 VZKBBWPWZMINDQ-FFZOFVMBSA-N 330.424 4.042 0 1 EIAF biogenic CC1=CC(=O)O[C@@H]1C[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 13401942 AEPFBSNEBUKEMX-YIVKGZRPSA-N 332.440 4.112 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2 13470039 SETREJOKOHORIS-OYRHEFFESA-N 346.474 4.075 0 1 EIAF Cc1cc(OCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 13558856 OVTCIUMSNPONAS-UHFFFAOYSA-N 330.380 4.388 0 1 EIAF CC(C)c1nnc2ccc(-c3c[nH]nc3-c3cc(F)ccc3F)cn12 14961358 XQFBFBBFUGBKRH-UHFFFAOYSA-N 339.349 4.188 0 1 EIAF OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H]1CCCNC1 27427686 MTEWZIXFNAXFEB-OAHLLOKOSA-N 336.262 4.229 0 1 EIAF CC(C)CO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27555745 UZGXVEGGVMJJLF-LJQANCHMSA-N 342.826 4.128 0 1 EIAF CN(C)CC[C@H](NC(=O)Cc1ccccc1)c1ccc2ccccc2c1 28654019 METIPYMTOPSGDD-QFIPXVFZSA-N 346.474 4.192 0 1 EIAF CCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc21 28864830 XNKAQWRTJJHSCD-UHFFFAOYSA-N 335.403 4.041 0 1 EIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2)cc1 72174755 ZJKAIWIQCVGYKH-VXKWHMMOSA-N 348.490 4.359 0 1 EIAF CC(C)(O)[C@@H]1Cc2cc3cc(-c4cc(F)cc(F)c4)oc3cc2O1 72176435 DXKWHLOIIWRXJR-SFHVURJKSA-N 330.330 4.452 0 1 EIAF Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)o1 82175301 HHFNFUAWWGIDTQ-UHFFFAOYSA-N 340.402 4.338 0 1 EIAF CC(C)CCCC[C@@H]1C[C@H](/C=C/[C@]2(C)CC[C@@H](O)CC2)[C@@H](O)[C@H]1O 100829738 FMIPVOXDRVXYDX-WWNDAXTFSA-N 338.532 4.058 0 1 EIAF COc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1 225184928 GKEHESPEFHJAPY-UHFFFAOYSA-N 338.451 4.409 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 238733575 NITWZXGUPPFECT-MRZBCURVSA-N 330.424 4.257 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cc(F)c3[nH]1)C2 586884039 GHJWMWARTASDFU-LPEHRKFASA-N 349.203 4.103 0 1 EIAF CC[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991831 WYKRQMLXHITPFG-LLVKDONJSA-N 343.382 4.161 0 1 EIAF Cc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995252 ICQDBFKDOIOMAR-UHFFFAOYSA-N 330.229 4.288 0 1 EIAF Fc1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587028871 APYHMBOYKMQNPG-UHFFFAOYSA-N 325.368 4.405 0 1 EIAF CC(C)(C)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2n1 587085008 WHYQIHUHDMJUCJ-UHFFFAOYSA-N 326.831 4.384 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2ccc3nc(C)ccc3c2[nH]1 587132689 JINGQIRWBFHPCR-UHFFFAOYSA-N 325.318 4.373 0 1 EIAF Fc1ccc(-c2ccsc2-c2nc3nc(Cl)c[nH]c-3n2)cc1 587164264 OZJKQAYWHNPGPH-UHFFFAOYSA-N 330.775 4.493 0 1 EIAF CC[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424719 SWUKTLNMBRBCJC-BLVKFPJESA-N 348.320 4.165 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)c(F)c1)CC2=O 587467972 VIYZRNLZJQTYFE-IBGZPJMESA-N 343.398 4.256 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCN3C)CC2=O 587475379 NRDWXSIWYDXTHY-HXUWFJFHSA-N 337.419 4.044 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC)CC2=O 587478474 JXVYAOHQFUOOPX-LJQANCHMSA-N 326.392 4.450 0 1 EIAF C[C@@]1(c2c(N)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504548 JJEWNVJGEBNEFY-FQEVSTJZSA-N 343.373 4.306 0 1 EIAF CC[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773080 HWHIVARRVZDTID-APPDUMDISA-N 349.247 4.171 0 1 EIAF CCOc1ccccc1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 587779639 BRMZDWMCOBHYLY-UHFFFAOYSA-N 338.194 4.242 0 1 EIAF Cc1c(F)ccc2c1[C@@]1(CCc3c(C(F)(F)F)cccc31)NCC2 962089072 FXLLYGFXIZCCBZ-SFHVURJKSA-N 335.344 4.488 0 1 EIAF Clc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cn1 1857581840 JVWRLKLMMMHHGI-UHFFFAOYSA-N 326.812 4.257 0 1 EIAF O=c1c2cc(-c3ccncc3)ccc2nc(O)n1CCC1CCCCC1 1857584609 VPBJHVBTSJSYEL-UHFFFAOYSA-N 349.434 4.135 0 1 EIAF COc1cc(C(C)=C[C@H](C)CC=CC=CC=CC(=O)O)oc(=O)c1C 2356793976 KVKQQUOEVVLXNW-CQSZACIVSA-N 344.407 4.140 0 1 EIAF C[C@H](NC(=O)c1cccs1)c1cc2c(cc1Cl)OCCCO2 356860 LAWZDTNTPZGBCR-JTQLQIEISA-N 337.828 4.054 0 1 EIAF CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@H](C)c1ccc(F)cc1 4215714 ISMQQUCCARCXSO-AUUYWEPGSA-N 334.435 4.366 0 1 EIAF CC(C)C1=CC2=C(O)C(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O 14774009 POAONACDMKZEOL-UYAOXDASSA-N 330.424 4.191 0 1 EIAF biogenic CC(C)Cn1c(Cc2ccccc2)nc2c(N)nc3ccccc3c21 28473590 FPDFOFSQEVGKSO-UHFFFAOYSA-N 330.435 4.414 0 1 EIAF CCC(=O)Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817716 XDHVOVFHRHRVNZ-UHFFFAOYSA-N 339.144 4.427 0 1 EIAF Oc1cc(CSc2cccc(F)c2F)nc2c3ccccc3nn12 103224616 XSJHKGHBTDILIY-UHFFFAOYSA-N 343.358 4.159 0 1 EIAF Nc1ncnc2c1sc1ncc(-c3ccc(Cl)cc3F)cc12 299854891 ANUQTCOCHOXYDA-UHFFFAOYSA-N 330.775 4.281 0 1 EIAF Cc1cc(-c2nc3ncccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880486 PTFDKQDNVVIFIW-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF Oc1ccc2scc(-c3nc4ccnc(Br)c4[nH]3)c2c1 587032740 OFNNLUZABQFDNS-UHFFFAOYSA-N 346.209 4.308 0 1 EIAF CCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587085001 WGROWXVHMLFGKL-UHFFFAOYSA-N 336.178 4.108 0 1 EIAF Nc1ccc2oc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2c1 587251513 HRGYRIIMIUDQIW-UHFFFAOYSA-N 346.159 4.460 0 1 EIAF Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1F 587368338 NVVOPLISKKYWOW-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF CCOc1ccc(CC)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439790 DFCKRXMKMAAUDD-IIBYNOLFSA-N 338.403 4.145 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(SC)c1)CC2=O 587494526 XTPZLEUHLPYPNN-KRWDZBQOSA-N 344.432 4.479 0 1 EIAF Cc1ccc([C@]2([C@@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529087 ITKHHGAGRFCGHZ-IVZQSRNASA-N 336.431 4.115 0 1 EIAF C[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616903 HFACJRIXFSKYNZ-LPHOPBHVSA-N 338.384 4.331 0 1 EIAF COc1cc(C2(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)ccc1C 587926488 HTPYCRDNDKUDGV-UHFFFAOYSA-N 347.340 4.374 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587932237 WGHSWNNDDZUXDX-PIGZYNQJSA-N 347.340 4.431 0 1 EIAF COc1oc(CC=C(C)CCCC(C)=C[C@H](C)O)c(C)c(=O)c1C 2356324102 POWDQNOFNJBGFS-HNNXBMFYSA-N 334.456 4.251 0 1 EIAF CC1=CCC[C@H](CO)CCC[C@H](CO)CC[C@H](C(C)(C)O)CC1 2356455795 IMYZDXCIXGESSX-GBESFXJTSA-N 326.521 4.061 0 1 EIAF O=C(NCc1cccs1)c1ccc2c(c1)ncn2C1CCCC1 218912 FNXDJJHWYLBWEG-UHFFFAOYSA-N 325.437 4.143 0 3 EIAF CN[C@@H](C(=O)c1ccccc1)[C@@H](OC(C)C)c1ccc(Cl)cc1 61705226 KZLHEJJWQRKCFX-HKUYNNGSSA-N 331.843 4.277 0 3 EIAF COc1ccc(-c2csc([C@@](C)(O)c3ccc(OC)cc3)n2)cc1 61904767 BADJPQSQIBAAIM-IBGZPJMESA-N 341.432 4.083 0 3 EIAF CN(C)c1ccc(/C=C2\c3ccccc3C(=O)N2c2ccccc2)cn1 61969095 CCVVJXUKXCOCON-XSFVSMFZSA-N 341.414 4.306 0 3 EIAF Cc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1 21008 ZPMVBXDFUCFRLF-UHFFFAOYSA-N 347.436 4.328 0 1 EIAF c1ccc2c(c1)CCc1ccccc1C2N1CC(NC2CCCCC2)C1 19368331 CRHLZDAYZHEKGL-UHFFFAOYSA-N 346.518 4.481 0 1 EIAF CCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 28770124 RPKUHTLCBUAJKP-UHFFFAOYSA-N 341.411 4.224 0 1 EIAF COc1cc(C(=O)N2CCCCC2)cnc1Nc1ccc(Cl)cc1 45354202 FTLHBVVHYHDGPW-UHFFFAOYSA-N 345.830 4.113 0 1 EIAF Clc1ncnc2c1ncn2[C@H]1C[C@H]2C[C@@H]1C[C@@H]2OC1CCCCC1 84603470 VUCJKYCKKKYRRQ-UXOAXIEHSA-N 346.862 4.169 0 1 EIAF Cc1c(COC(=O)NCc2cccnc2)cccc1-c1ccccc1 96170079 LRKYHGZBPAVHHN-UHFFFAOYSA-N 332.403 4.483 0 1 EIAF COc1ccc(-c2cc(Cl)cc3c(C)c4n(c23)CCNC4=O)cc1 143615669 OBQPXGHMSVAMLB-UHFFFAOYSA-N 340.810 4.022 0 1 EIAF O=Nc1c([C@@H]2C(=O)Nc3ccc(F)cc32)[nH]c2ccc(Cl)cc12 169723364 FVQQEQDMLYAMOI-CYBMUJFWSA-N 329.718 4.442 0 1 EIAF COc1cc2nc(C)c(-c3ccc(C=O)cc3)c(O)c2cc1Cl 299819270 BLSUDWIRNHOKPA-UHFFFAOYSA-N 327.767 4.390 0 1 EIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1 586879175 LGNNJCBYHLRHDW-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF O=C1c2ccccc2-c2cc(C(F)(F)Cl)nc3ccc(O)c1c23 586987246 UUHFHPNCQUXFRN-UHFFFAOYSA-N 331.705 4.440 0 1 EIAF O=C1c2ccccc2-c2cc(-c3cccnc3F)nc3ccc(O)c1c23 586988979 VCSBZLMVPKGXHE-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](N(C)C)C4)-c1ccccc1C2=O 586996829 PURIGAHRZBOQEV-CQSZACIVSA-N 342.442 4.174 0 1 EIAF CC(C)(C)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2n1 587015839 CPQPBXXRLGMXSM-LBPRGKRZSA-N 328.441 4.230 0 1 EIAF Fc1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 587023691 UERTWOILALDDFT-UHFFFAOYSA-N 332.585 4.241 0 1 EIAF N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl 587058617 XZSGXHPNUXAJBT-JTQLQIEISA-N 341.629 4.161 0 1 EIAF O=C1C[C@]2(CCc3ccccc3OC2)Oc2c1ccc1c2CCCC1 587535221 JNONPFCCUQHAHF-QFIPXVFZSA-N 334.415 4.295 0 1 EIAF CC(C)COc1cccc(OCc2nc3c(Cl)ccnc3[nH]2)c1 587566096 UTAGVWQPSNTGNV-UHFFFAOYSA-N 331.803 4.225 0 1 EIAF CCOc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1C 587778011 HFXXBWGTFCCWJZ-UHFFFAOYSA-N 336.370 4.262 0 1 EIAF Clc1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1Cl 587780865 KQQOKJFURVKJKC-QPJJXVBHSA-N 334.206 4.495 0 1 EIAF CC(C)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814780 IXGJJQUTXZEZON-QLJPJBMISA-N 326.253 4.384 0 1 EIAF CN(C(=O)c1ccc(Oc2ccc(O)cc2)cc1)c1cccc(O)c1 653786033 YGXOFGXEMWPBRZ-UHFFFAOYSA-N 335.359 4.167 0 1 EIAF CN(CCCCN1C(=O)CSc2ccccc21)Cc1ccccc1 1772601865 DSVANLQLIFXFAL-UHFFFAOYSA-N 340.492 4.038 0 1 EIAF COc1ccccc1CNc1nc(NCC2CC2)nc2ccsc12 61906174 ANINWFDAHWHFDQ-UHFFFAOYSA-N 340.452 4.134 0 3 EIAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cc(F)cc(F)c2)cs1 61928236 RYLRCDRLCVUXCB-KRWDZBQOSA-N 344.386 4.314 0 3 EIAF CC(C)c1[nH]nc2c1[C@@H](c1ccccc1)N(Cc1ccccc1)C2=O 199730159 XQBQAKOQCOJIPQ-HXUWFJFHSA-N 331.419 4.279 0 3 EIAF COc1ccc(-c2cc(-c3ccc(OC)cc3)c3[n+](c2)CCC3)cc1 15216020 BXPLIZNAHZWDSZ-UHFFFAOYSA-N 332.423 4.272 0 1 EIAF C[C@@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CCCO1 29410825 OHOUPBLLXCZHSW-SGVAJQJZSA-N 331.500 4.057 0 1 EIAF FC(F)(F)c1ccc(-c2cn3nc(OCC4CC4)ccc3n2)cc1 72170718 QKNBEGCTFMFQIC-UHFFFAOYSA-N 333.313 4.204 0 1 EIAF CCCc1nc2c(NCc3ccccc3)ncnc2n1C[C@@H](C)CC 82178667 FKRHVFKOYYONQM-HNNXBMFYSA-N 337.471 4.437 0 1 EIAF c1ccc([C@H](Nc2nnc(-c3c[nH]c4ncccc34)o2)C2CC2)cc1 103245755 MCABGFYHYDPLAC-INIZCTEOSA-N 331.379 4.176 0 1 EIAF CCOc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)nc1 473137266 XPJYNVKOBZCXES-UHFFFAOYSA-N 332.816 4.396 0 1 EIAF CCOc1nn(-c2ccc(Cl)cn2)c(C)c1Cc1ccccc1 474602212 AQDHJZLZCQAHPE-UHFFFAOYSA-N 327.815 4.219 0 1 EIAF FC1(F)Oc2cc3nc(CSCc4ccsc4)[nH]c3cc2O1 587024864 CAFJKZPKBDDFHD-UHFFFAOYSA-N 340.376 4.379 0 1 EIAF Cc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c(C)n1 587232400 TUAVRDZGVDQULL-UHFFFAOYSA-N 332.407 4.125 0 1 EIAF NC1CC(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C1 587255639 UMBSSZOMZHHHNE-UHFFFAOYSA-N 334.448 4.119 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(F)cc1Cl)O2 587381326 HCBCQYDLACXOLL-KRWDZBQOSA-N 337.753 4.389 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1CC(C)C)O2 587390706 NJGAXHQUHAHMQS-LJQANCHMSA-N 349.434 4.289 0 1 EIAF CO[C@@H](C)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398541 FDNAGRSHGYABFG-RBZFPXEDSA-N 325.408 4.165 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1cccnc1)[C@@H](C2)C3=O 587436812 UGHQMLKOPNEHGA-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O 587439772 CXADPQROUGQWLT-UWJYYQICSA-N 338.403 4.219 0 1 EIAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCCc4ccccc41)[C@@H](C2)C3=O 587447820 VWFZOPRHJSDODP-SPEDKVCISA-N 334.415 4.321 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CCCN(CC)CC)CC2=O 587469270 MMPURMYGBZQHFA-HXUWFJFHSA-N 333.472 4.191 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(SC)c1)CC2=O 587494531 XTPZLEUHLPYPNN-QGZVFWFLSA-N 344.432 4.479 0 1 EIAF Cc1ccc(O)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612471 WCSSDWHBJOVSHT-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3ccncc3)c(C(=O)C(=O)OC)c2c1 587644280 SOKVYOGJHHGJMI-LBPRGKRZSA-N 336.391 4.099 0 1 EIAF Cc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1C 587920387 GQBMXMSJPVLNIH-UHFFFAOYSA-N 338.480 4.336 0 1 EIAF COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1C 587925633 FNKDGORCGBUSTH-ZDUSSCGKSA-N 340.423 4.243 0 1 EIAF CN(Cc1ccccc1)c1cc(=O)n2c(-c3ccccc3)csc2n1 621431258 SXIUSIQBVYKWLG-UHFFFAOYSA-N 347.443 4.059 0 1 EIAF C[C@@H]1CC(=O)Nc2cccc(-c3cnn([C@H](C)c4ccccc4)c3)c2N1 653900912 BOYFTCVHQXVDDZ-HUUCEWRRSA-N 346.434 4.302 0 1 EIAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@H]21)C[C@@]45C 2356408272 ZPBBRJYUYLDTJN-RYKHYDILSA-N 346.511 4.179 0 1 EIAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@@H]1[C@]4(C)CCC(=O)[C@@]4(C)CC[C@]21CO3 2356580608 YXDUTHSIFYOIQZ-KPNWSXIASA-N 342.479 4.102 0 1 EIAF CCOC(=O)C1(CCOc2ccccc2)CCN(CC=C(C)C)CC1 11952622 LJSPPPBVPNLKMH-UHFFFAOYSA-N 345.483 4.067 0 3 EIAF O=C(NCCc1ccccc1)c1ccc(-c2cccnc2)c2ccoc12 61927030 GGFZOHPQXFYGFF-UHFFFAOYSA-N 342.398 4.467 0 3 EIAF CC(C)=CCc1c(O)cc(CCc2ccccc2)c(C(=O)O)c1O 13340592 XEJVLJUNXHKZMT-UHFFFAOYSA-N 326.392 4.090 0 1 EIAF biogenic COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@H]2C)OCO4)ccc1O 14726817 ZTNZPWXCSNAVLW-XXRNEEKGSA-N 326.392 4.090 0 1 EIAF biogenic Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1Br 40394547 CUVGEONOKQXAEJ-UHFFFAOYSA-N 341.212 4.232 0 1 EIAF COc1nc(/C=C/c2cccc(O)c2)cc(/C=C/c2cccc(O)c2)n1 84689466 JZMLWEIRJKKPNG-GFULKKFKSA-N 346.386 4.237 0 1 EIAF CC(=O)O[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O 96907187 BDKARMILWOSVNF-ISBFPKGDSA-N 346.467 4.209 0 1 EIAF Cc1ccc(CNc2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)cc1 96928444 ZYVINOJEFXYQTC-UHFFFAOYSA-N 348.385 4.156 0 1 EIAF O=C1Nc2ccccc2/C1=C\c1ccc2c(-c3nccs3)n[nH]c2c1 168417327 ZULFKUINRYIZQT-NTEUORMPSA-N 344.399 4.179 0 1 EIAF CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169365668 DXPXPTSTQIBWMJ-AWKFRVKISA-N 336.472 4.270 0 1 EIAF Cc1cc(Cc2sc(=O)[nH]c2O)ccc1OCCC1CCCCC1 169700822 LALIGQMDNOVEFX-UHFFFAOYSA-N 347.480 4.390 0 1 EIAF CCOCc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)o1 586903752 UIRRRTKSUIDMGY-UHFFFAOYSA-N 339.164 4.261 0 1 EIAF Clc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587007065 VEPIZVPXCRSFQW-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF C[C@@H](O)c1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)s1 587021430 IBFNNKLKZIZGLS-ZCFIWIBFSA-N 345.371 4.352 0 1 EIAF Clc1nccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029204 KYPFFKWTQGTPEX-UHFFFAOYSA-N 342.811 4.314 0 1 EIAF O=C(O)c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587073593 HGNZPMCWROIHNP-UHFFFAOYSA-N 326.783 4.385 0 1 EIAF Fc1ncc(Br)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 587177938 HXEGCICFYPTLEH-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)c1 587233421 OXMOWHBNOLITHM-UHFFFAOYSA-N 330.391 4.342 0 1 EIAF C[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587374146 OHSSWDFMPLRXES-JPJOULJCSA-N 344.407 4.012 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)nc1)CC2=O 587468493 XVXAUUGOVBQOET-OAHLLOKOSA-N 349.333 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccccc1)CC2=O 587476948 BUEOCRDOGXLXCW-HXUWFJFHSA-N 326.392 4.148 0 1 EIAF CCCCc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 587487267 WFPANUYOOJSWIQ-KRWDZBQOSA-N 328.412 4.117 0 1 EIAF C[C@H]1CC(C)(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587524769 MTVIYWFXCAMINX-YEJXKQKISA-N 326.436 4.295 0 1 EIAF CCOC(=O)CCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527118 WCMRHURSJBCNQF-FQEVSTJZSA-N 330.424 4.023 0 1 EIAF O=C1C[C@@]2(CCc3ccccc3OC2)Oc2c1ccc1c2CCCC1 587535220 JNONPFCCUQHAHF-JOCHJYFZSA-N 334.415 4.295 0 1 EIAF Fc1cc2[nH]c(CCOCc3ccccc3)nc2cc1C(F)(F)F 587565483 BRYSJOBVVTYLFA-UHFFFAOYSA-N 338.304 4.480 0 1 EIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601101 QXCQOSKJECBMSD-WIYYLYMNSA-N 348.354 4.104 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(F)c(F)c(F)c2[nH]1 587788210 ZTKMUSYZMPPWAW-UHFFFAOYSA-N 348.324 4.113 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 587950654 BTSCGFUPDFBZNV-WLYUNCDWSA-N 339.439 4.189 0 1 EIAF Cc1cc2c(cc1F)[C@](C[C@@H](C)CC(=O)O)(c1ccccc1)NCC2 962381492 YKPTWOBTLVMTMS-QKKBWIMNSA-N 341.426 4.024 0 1 EIAF Cc1sc2c(c1C)CCN[C@@H]2c1sccc1Br 963007206 HCUTWFLPWDNSET-NSHDSACASA-N 328.300 4.424 0 1 EIAF NC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1 3938263 NMUIYMCYQWYFCA-UHFFFAOYSA-N 348.497 4.053 0 1 EIAF O=C(/C=C/c1cccc2ccccc12)Nc1ccc2c(c1)OCCO2 12616967 LQVRDPOYYCPZCY-DHZHZOJOSA-N 331.371 4.263 0 1 EIAF N=c1sc2c(n1CC(=O)c1ccc(Cl)c(Cl)c1)CCCC2 28525827 PTJIUPNDFHPKOA-UHFFFAOYSA-N 341.263 4.098 0 1 EIAF CCCCC/C=C\C[C@@H](O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O 33954226 NKUPFHTVILUPKF-GWURPDJQSA-N 338.488 4.382 0 1 EIAF in-vitro C[C@H]1CCC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40802570 QQZGEXJGCHWYKS-NZYDNVMFSA-N 325.496 4.497 0 1 EIAF CC(=O)c1cccc(-c2ccc(N)c(NC(=O)c3ccccc3)c2)c1 49088178 CJDOOJYNFYUEAC-UHFFFAOYSA-N 330.387 4.391 0 1 EIAF in-vivo CCCCCc1n/c(=N\Cc2cccnc2)sn1-c1ccccc1 101506373 MWAQRYLQRXKNEE-XUTLUUPISA-N 338.480 4.162 0 1 EIAF NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145449173 IOZBFTFIPBDPRX-QGZVFWFLSA-N 338.432 4.460 0 1 EIAF CCCCCOc1cc2nc([C@@H](O)CC)[nH]c2cc1Br 586901134 ORRIUKGSRDHMEA-ZDUSSCGKSA-N 341.249 4.338 0 1 EIAF FC(F)Oc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587130773 QGWMXAJKCKUFJJ-UHFFFAOYSA-N 340.232 4.153 0 1 EIAF Cc1cc(Br)c(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1F 587137592 BWTLMRSBIPRWDG-UHFFFAOYSA-N 349.159 4.138 0 1 EIAF Cc1c(-c2cc3c4c(cccc4n2)CC3)c2ccccc2n1CC(=O)O 587211511 RXKYBJYGTWIJID-UHFFFAOYSA-N 342.398 4.348 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(F)c1)O2 587386539 ZIONTVWSSLEMOY-IBGZPJMESA-N 336.366 4.214 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC[C@H]1Cc1ccccc1C2 587409483 VMZMQVXYSYYEII-IRXDYDNUSA-N 333.431 4.106 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(Cl)cccc41)[C@@H](C2)C3=O 587422567 QTAKZCAZFNREBA-MGPUTAFESA-N 340.806 4.328 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)CCCCC(=O)O)CC2=O 587490805 RSFNMFPXMRCOJX-RNODOKPDSA-N 348.439 4.350 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1CC)CC2=O 587490831 ZSJJVDCZRXKGDS-FQEVSTJZSA-N 325.408 4.183 0 1 EIAF Cc1cnc(Cl)nc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500541 PVERBQCBUQJXQS-IBGZPJMESA-N 342.826 4.198 0 1 EIAF COc1ccc(CCCc2nc3cc(OC)c(C)cc3[nH]2)c(OC)c1 587929601 YITWQRGKJAXXIL-UHFFFAOYSA-N 340.423 4.072 0 1 EIAF COc1cccc(C2(c3nc4cccc(C(=O)O)c4[nH]3)CCCC2)c1 587933811 VSCKCDTVIJBMML-UHFFFAOYSA-N 336.391 4.130 0 1 EIAF COc1ccc(C2(c3nc4ccc(OC)nc4[nH]3)CC3(CCC3)C2)cc1 587934878 HKYYBQFBVHTJTK-UHFFFAOYSA-N 349.434 4.225 0 1 EIAF C1=C[C@H]2C[C@@H]1C[C@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647633 VZTZTJRYLXQERN-USHXRURQSA-N 342.486 4.225 0 1 EIAF CC[C@@H]1C[C@@H]([C@@H]2c3cccc(Br)c3CCN2C)CCO1 963290791 YOGLTIZMVCTCBC-OGHNNQOOSA-N 338.289 4.183 0 1 EIAF COc1ccc(CN=c2c3c([nH]c4ccccc24)CCCC3)cc1OC 1772626362 FRMYHFABGOUZJS-UHFFFAOYSA-N 348.446 4.165 0 1 EIAF O=C1C[C@H](CNc2nc(-c3cccc(O)c3)cs2)c2ccccc21 1772629037 XGRUBYNCOYYLON-CYBMUJFWSA-N 336.416 4.298 0 1 EIAF CCOC(=O)c1cc2c([nH]1)c(O)cc1c2ccn1Cc1ccccc1 1653962 OJFBSSXCIADESG-UHFFFAOYSA-N 334.375 4.053 0 1 EIAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccncc3)nc(N)c12 13835470 DHXPNPRVYGCMJC-OAHLLOKOSA-N 343.434 4.302 0 1 EIAF CCc1oc([C@H](C)C2=C(C)C(=O)[C@H](C)[C@H](CC)O2)c(C)c(=O)c1C 14827306 OEORVMFHSLFRIC-KMUNFCNLSA-N 332.440 4.211 0 1 EIAF biogenic CC(C)[C@]1(C)SC(N[C@@H](C)c2ccc(C(F)(F)F)cc2)=NC1=O 14953729 GOSFVWMAOHSRRE-BONVTDFDSA-N 344.402 4.400 0 1 EIAF CCO[C@@H]1C[C@@H](c2ccccc2)Oc2c(C)c(O)c(C=O)c(OC)c21 15217547 HCPPRMOLMNXCDR-JKSUJKDBSA-N 342.391 4.123 0 1 EIAF biogenic CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccccc2)C1 29343681 GUEHAKSGYHUPRR-IBGZPJMESA-N 337.463 4.343 0 1 EIAF CC[C@H](COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O 43014380 ZGPMTGOZRGSUNH-CQSZACIVSA-N 349.862 4.163 0 1 EIAF CCC(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](OC(C)=O)[C@H](C)[C@]21C 85767784 JBUJFKRPTLTIIY-KKFOWGLESA-N 346.423 4.043 0 1 EIAF CC(=O)N(Cc1c[nH]cn1)c1ccc(-c2nc3ccccc3s2)cc1 96937924 VTTSFAQAAYHUOF-UHFFFAOYSA-N 348.431 4.240 0 1 EIAF CN1[C@H]2CC[C@H]1CC(OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 101812230 CSVCLUXIZUMABR-PMACEKPBSA-N 349.474 4.161 0 1 EIAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C)cc(C)n2)cc1 103285637 XGSWEJOMQOUMOZ-UHFFFAOYSA-N 332.329 4.273 0 1 EIAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccncc2)nc1 145258958 CRVIVZVAHIIXAL-UHFFFAOYSA-N 339.395 4.160 0 1 EIAF O=C(O)CSc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1F 587210070 CYJIMGGNIIJOJE-UHFFFAOYSA-N 339.391 4.316 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)ccc1OC(F)F)O2 587381808 HYJKULCOYBTZMX-IBGZPJMESA-N 347.361 4.368 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)CC(C)(C)CC3)O2 587412397 BRXSFOVPUWFOBC-OAHLLOKOSA-N 342.464 4.255 0 1 EIAF O=C1C[C@@]2(CCCN(C3CCCC3)C2)Oc2c1ccc1c2CCCC1 587512818 FVEASYHSUQLNGO-JOCHJYFZSA-N 339.479 4.308 0 1 EIAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531491 KZSYZWOZQTWLMU-INIZCTEOSA-N 327.449 4.399 0 1 EIAF Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587959 QRFAOEUJWAEXJK-RXVVDRJESA-N 347.370 4.107 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@H]2CC[C@H]1C2 587602462 HZEUXNUHZJTXFZ-ULQFAQFHSA-N 336.387 4.159 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587826591 FIEOCBDTAMQTOB-ABKXIKBNSA-N 338.220 4.287 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccnn1 587860400 SXKWZQCFGQGPMJ-UHFFFAOYSA-N 349.221 4.094 0 1 EIAF CC(C)(C)C(=O)Nc1ccc2c(c1)C[C@@H]1c3ccsc3CCN1C2 1857644504 YTUJGKMWSVLHOU-QGZVFWFLSA-N 340.492 4.388 0 1 EIAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CO 2356503773 SKZKDRKVEQOQIT-BAGYTPMASA-N 344.495 4.487 0 1 EIAF O=C1Nc2ccccc2N(O)N1c1cc(-c2cccc(Cl)c2)no1 5047722 QAIWDUVAMGXTMG-UHFFFAOYSA-N 342.742 4.158 0 3 EIAF aggregator N[C@H](c1csc(Nc2nncc3ccccc23)n1)C1CCCCC1 61925784 KROJFHZANXLOFX-INIZCTEOSA-N 339.468 4.410 0 3 EIAF CN1C=N[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl 13559438 MSMKXTDICUENQM-JKSUJKDBSA-N 337.206 4.161 0 1 EIAF COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12 13581088 SOVXXZPVUNBMAR-UHFFFAOYSA-N 338.451 4.168 0 1 EIAF COc1ccc2c(c1)c(CCO[N+](=O)[O-])c(C)n2CC1CCCCC1 28862843 PILFNHOMEOXVBM-UHFFFAOYSA-N 346.427 4.289 0 1 EIAF O=C(O)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 29327203 MRLKWKNULFUMMK-UHFFFAOYSA-N 333.796 4.334 0 1 EIAF COP(=O)(CNC1(C(=O)O)CCCCCCCCCCC1)OC 45495667 SMUZDYJMKZIFLE-UHFFFAOYSA-N 349.408 4.148 0 1 EIAF CCc1cccc2ccn(C[C@H](O)CSc3ccccc3O)c12 84706230 FSVMIJISLPBDLA-INIZCTEOSA-N 327.449 4.063 0 1 EIAF COC(=O)c1cc2c(o1)c1ccccc1n2Cc1ccc(OC)cc1 96917749 WQRYBTROCDOMCW-UHFFFAOYSA-N 335.359 4.231 0 1 EIAF CC(C)(C)C(=O)OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1 100909321 SHHWJFWQYLCSAZ-JJQNBFRTSA-N 345.508 4.204 0 1 EIAF COc1ccccc1C(=O)n1cc(C)n(-c2ccccc2C)c1=S 103285357 XMHRPZYPDKVFAC-UHFFFAOYSA-N 338.432 4.322 0 1 EIAF O=C1CCC[C@H](c2nc3ccc(Br)c(F)c3[nH]2)CC1 586883925 IYDRMEKIHKDLCJ-QMMMGPOBSA-N 325.181 4.081 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ccc(F)nc3)nc3ccc(O)c1c23 586989098 WKWCJPRDKDLBJH-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Cl)c1O 587046613 YEXGSSMNUOLEDJ-UHFFFAOYSA-N 344.585 4.299 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587068115 YZFGSLCEMWQXQY-QLJPJBMISA-N 344.802 4.388 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc12 587095800 VSCXYLBZMGCKPR-UHFFFAOYSA-N 326.709 4.188 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CCC1(COC1)C4)-c1ccccc1C2=O 587103289 VQEUUTYITDLSFP-UHFFFAOYSA-N 341.410 4.260 0 1 EIAF O=C(c1nc2nccc(Cl)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587133562 SMXDMOZXYZEXAU-UHFFFAOYSA-N 344.560 4.288 0 1 EIAF Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208340 QJOKKUQAHXDJLU-UHFFFAOYSA-N 325.209 4.345 0 1 EIAF O=C(Nc1ccccc1)c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1 587243502 FFLQDURKMNTZIA-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCC(C)C)c1)[C@@H](C2)C3=O 587444496 ZJSBLMPLKUAKLQ-LAUBAEHRSA-N 338.403 4.219 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(C)cn1)CC2=O 587483393 CMSNKUGWHUMODS-HXUWFJFHSA-N 325.408 4.015 0 1 EIAF O=C1C[C@]2(CCCC[C@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 587516652 ZCAMBQJGRNZFHT-UGKGYDQZSA-N 348.446 4.417 0 1 EIAF CCOC(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587951569 PGILGNWZIHKFFZ-UHFFFAOYSA-N 336.391 4.338 0 1 EIAF CCCc1ccc2oc(C(=O)[C@H]3CCC(=O)NC[C@@H]3C)c(C)c2c1 621485677 FGHRKUGZMFDZHV-WFASDCNBSA-N 327.424 4.039 0 1 EIAF Cn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21 1857591507 UCJSJQHQQLXGLT-UHFFFAOYSA-N 340.386 4.261 0 1 EIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(F)cc21 1857609713 RRAJOFHYFGVJRK-UHFFFAOYSA-N 346.405 4.480 0 1 EIAF CC[n+]1c(/C=C/c2ccc3c(c2)OCO3)sc2ccc(OC)cc21 3905687 QRBLEHIJIUORPY-WEVVVXLNSA-N 340.424 4.116 0 1 EIAF COc1cccc(CSc2nncn3c2cc2oc(C)cc23)c1 6894038 VYRSXPIAXDNSJM-UHFFFAOYSA-N 325.393 4.085 0 1 EIAF CCCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 13727220 ADAHEUDXOAETMU-UHFFFAOYSA-N 349.434 4.435 0 1 EIAF O=C(CC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 13729933 RTAGZKGOWFALLV-UHFFFAOYSA-N 329.390 4.450 0 1 EIAF O=C1CO[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1 14943889 RIFHBKAORDJJNW-GJBLVYBDSA-N 331.721 4.033 0 1 EIAF CCN[C@@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 28237421 GKDCVGNKESHKGU-HUUCEWRRSA-N 329.271 4.267 0 1 EIAF c1ccc2nc(CCN3CCc4c([nH]c5ccccc45)C3)ccc2c1 34602035 CJBOQCANXATUMA-UHFFFAOYSA-N 327.431 4.317 0 1 EIAF c1cc2c(cc1C[C@H]1CCC(c3ccc4c(c3)CCC4)=NO1)OCO2 40914261 QCQIDOJZOMBARI-GOSISDBHSA-N 335.403 4.030 0 1 EIAF CCn1ncnc1[C@H](C)Nc1cc(C)c2ccc(SC)cc2n1 65373169 AVWRQKIZOPZQNK-LBPRGKRZSA-N 327.457 4.050 0 1 EIAF C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C[C@@H](C)O1 72182584 AEKGQDSJZJJMPE-PHIMTYICSA-N 341.238 4.258 0 1 EIAF CC(C)CNc1c(-c2cc(F)ccc2F)c(F)nc2nccnc12 103166715 XEUWMVQLRCBDKP-UHFFFAOYSA-N 332.329 4.177 0 1 EIAF COc1cc2sc(-c3c(-c4cccs4)n[nH]c3N)nc2cc1F 114397954 XKHSIZAEPWYLSJ-UHFFFAOYSA-N 346.412 4.145 0 1 EIAF CN(C)c1cccc(-c2cnc3sc(NCc4ccccc4)nn23)c1 117618012 IKELEJBGZYYKPN-UHFFFAOYSA-N 349.463 4.136 0 1 EIAF CCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(OC)cc3[C@@]1(C)CCN2C 169321831 FITFIBDATVCQBG-YPAWHYETSA-N 343.511 4.369 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 254093143 NVLJYIBBEXBONT-DNIYLABLSA-N 340.555 4.005 0 1 EIAF O=C(O)CCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCCO 263614396 IWYJGYZCHKEPCK-NBZMGUDUSA-N 336.472 4.160 0 1 EIAF in-vitro CSc1ccc(-c2csc([C@@H]3CN4CCC[C@H]4CO3)n2)cc1 338900980 AZMDMCPBWDYFIW-BBRMVZONSA-N 332.494 4.068 0 1 EIAF COc1cc2ncnc([C@H]3CCc4ccc(Cl)cc43)c2cc1OC 474607975 KUPWRWKMDGKQKQ-ZDUSSCGKSA-N 340.810 4.379 0 1 EIAF CC(C)(SCC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586959366 MHZDLTKORPMVMU-UHFFFAOYSA-N 342.420 4.408 0 1 EIAF Cc1nc(Br)sc1-c1nc2ccc(F)c(F)c2[nH]1 587010584 CYVWDWWRGZPGNO-UHFFFAOYSA-N 330.157 4.036 0 1 EIAF COc1nccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc12 587065945 GADXHUAJGOVFIM-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF Cc1c(Cl)ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587167350 QVZBIFLDBATIST-CMDGGOBGSA-N 329.762 4.316 0 1 EIAF CC(C)[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198243 VJVMPHRIRZESTK-OAHLLOKOSA-N 343.431 4.003 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587244678 RCPLCHNJYGZASK-UHFFFAOYSA-N 327.771 4.016 0 1 EIAF COc1cc2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2cc1OC 587250943 UAUFOBUTVVFDPP-UHFFFAOYSA-N 345.402 4.496 0 1 EIAF C[C@@]1(c2cc(C=O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533968 ZYBXFCFZDDEBIO-IBGZPJMESA-N 326.417 4.320 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc12 587602512 IHDVBLNRDQMCRK-UGKGYDQZSA-N 344.366 4.196 0 1 EIAF CCOc1ccc(-c2[nH]c3cccc(F)c3c2CC(=O)O)cc1F 587634539 JBSLQKQAYMNVKQ-UHFFFAOYSA-N 331.318 4.139 0 1 EIAF Cc1cc(C)c([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c(O)n1 963105110 HISUTHPTPPLFOH-QGZVFWFLSA-N 337.250 4.120 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCN(C(=O)OCC)CC2 963228225 LDRQSFWLFYGLPJ-UTKZUKDTSA-N 344.499 4.181 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356475889 UBWOPONWVXRTKE-PNKHAHIYSA-N 342.571 4.467 0 1 EIAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356681670 BPUXHYZWGGQDPC-HGDGHVPZSA-N 331.544 4.320 0 1 EIAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cccc(F)c2)cs1 61905291 QFFQWNDMWLEDPK-IBGZPJMESA-N 340.423 4.349 0 3 EIAF CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 5656896 CRJUJZNGVQRIJL-UHFFFAOYSA-N 336.391 4.472 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1cccnc1 5932856 JFANHGZJNLPYDA-CQSZACIVSA-N 325.220 4.167 0 1 EIAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccco2)C1 8643294 OZJXXTFIPRTIED-QZTJIDSGSA-N 333.435 4.284 0 1 EIAF biogenic COc1cc(C[C@H](C)N)c(OC)cc1CCCc1ccc(Cl)cc1 13809605 NBVUSYYQRXPQSV-AWEZNQCLSA-N 347.886 4.422 0 1 EIAF COc1ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c(O)c1 14819426 CFIGHBKJMKQTBW-HNNXBMFYSA-N 340.419 4.334 0 1 EIAF biogenic C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1nccn1 26396626 DQFSOCQBGGWYNF-WDPSMDGFSA-N 339.483 4.053 0 1 EIAF C[C@]12CC[C@@H]3[C@H]4Cc5cc(C=O)oc5C[C@@H]4CC[C@@H]3[C@@H]1CC[C@@H]2O 27423210 YEOOFMLWOGDHOL-LULPDSNDSA-N 328.452 4.020 0 1 EIAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2c2ccccc2)cc1 28704324 OUCJOHNZCRJCPF-SFHVURJKSA-N 347.867 4.253 0 1 EIAF CCc1nn(CCO)c(CC)c1Oc1c(Cl)cccc1Cl 34020500 AXFOKGBZAPBYOS-UHFFFAOYSA-N 329.227 4.099 0 1 EIAF CN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc21 40568298 OJZQHKOHSPUBKY-UHFFFAOYSA-N 343.430 4.383 0 1 EIAF Fc1cccc(CNC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 43078805 IIZMNLPJUHGQIJ-SFTDATJTSA-N 345.421 4.357 0 1 EIAF Clc1cccc(Nc2ccc3c(N4CCCCC4)ncnc3n2)c1 45196104 NDKIHXCMUIJHTB-UHFFFAOYSA-N 339.830 4.412 0 1 EIAF OCc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45339013 NIBBSZDCZSIRFX-HXUWFJFHSA-N 327.387 4.237 0 1 EIAF C=C=CCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1O 45386748 HPCAJGIOGMEMOW-UHFFFAOYSA-N 339.782 4.452 0 1 EIAF O=C(OCC(Cl)(Cl)Cl)c1cc2c(cn1)[nH]c1ccccc12 64513780 SIPHVHFVEKBHKT-UHFFFAOYSA-N 343.597 4.243 0 1 EIAF Cc1ccc2[nH]c(-c3ccccc3)c(/C=C3\SC(=O)NC3=O)c2c1 73139400 JWDZVRGMTMQNCM-YBEGLDIGSA-N 334.400 4.467 0 1 EIAF O=C(Nc1cccc(Oc2cccnc2)n1)c1cccc(Cl)c1 96175608 GVYDDJHUGHDTMI-UHFFFAOYSA-N 325.755 4.175 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586914817 YGTUIZROSFOCSN-CBAPKCEASA-N 344.640 4.046 0 1 EIAF CC(C)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587258821 LSNFRSHEMPEAPA-VIFPVBQESA-N 336.155 4.000 0 1 EIAF CC1(C)[C@]2(C(=O)c3coc4ccc(Cl)cc34)CC[C@@]1(C)C(=O)O2 587276945 XMODELLYCDKATK-ZWKOTPCHSA-N 332.783 4.391 0 1 EIAF O=C1C[C@@H](C(=O)c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587506100 PBGKLLBLHGMGPZ-SFHVURJKSA-N 342.341 4.060 0 1 EIAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc(F)c23)cc1OC 587633629 HVRPVDBSBYBHPG-UHFFFAOYSA-N 349.308 4.493 0 1 EIAF Cc1cc2c(cc1F)[C@](C[C@H](C)CC(=O)O)(c1ccccc1)NCC2 962381498 YKPTWOBTLVMTMS-SZNDQCEHSA-N 341.426 4.024 0 1 EIAF COc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21 1857624635 DKNHSLZUOUTVLE-LVZFUZTISA-N 347.458 4.355 0 1 EIAF CC(C)[C@@H]1N=C(N2CCCCC2)c2cc(Cl)ccc2NC1=S 1857761677 ZMCXCTMUIFVQKJ-HNNXBMFYSA-N 335.904 4.350 0 1 EIAF CCOC(=O)c1c(C)c(Cc2ccc(C(F)(F)F)cc2)c(C)n1C 1911571739 UFSYEIHCYAQRKM-UHFFFAOYSA-N 339.357 4.428 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]4(C)O 2356376054 NQZVMGVMAPPTFX-AMUQAENUSA-N 334.500 4.323 0 1 EIAF COC(=O)C1=CCCC(C)=C[C@@H]2OCC(C)=C2C[C@H](O)C(C)=CCC1 2356455295 OCECFDGDAVQDAG-PMACEKPBSA-N 346.467 4.019 0 1 EIAF COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C)c4)nc23)cc1 74386797 CMRRPJRDDXQPGM-UHFFFAOYSA-N 330.391 4.107 0 3 EIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)c1 776328 UJWKWNJNFXTSOJ-UHFFFAOYSA-N 344.455 4.424 0 1 EIAF Cc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1 13489731 JEONYQRJFFVSNU-UHFFFAOYSA-N 327.391 4.381 0 1 EIAF C[C@@H](c1ccccc1)c1cccc([C@@H](C)C(=O)NCCCN(C)C)c1 13646284 NVUXVWRRQPPOSD-ZWKOTPCHSA-N 338.495 4.010 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CCC2)s1 14952126 IAFOBRTXSKJHDJ-UHFFFAOYSA-N 349.843 4.096 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 17300703 HQWPPVLSHLFTDY-OAYGGAORSA-N 329.484 4.180 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 27078786 LIGDWKZNTAHCAA-UHFFFAOYSA-N 331.368 4.315 0 1 EIAF CCN(CC)CCCNc1ccnc2ccc(OC(F)(F)F)cc12 28132369 MKWWLEAWGHPCGV-UHFFFAOYSA-N 341.377 4.277 0 1 EIAF CCCCN1CCC(COc2nc3sccc3n3cccc23)CC1 40892799 HVKXJPUDFKVGSI-UHFFFAOYSA-N 343.496 4.440 0 1 EIAF COc1cc2c(ccn2-c2cccc3ncccc23)c(OC)c1OC 72114902 XYSCOCBQQAJTGY-UHFFFAOYSA-N 334.375 4.205 0 1 EIAF COc1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 103185276 GIBNGCCLQSDEQJ-FBMGVBCBSA-N 331.828 4.043 0 1 EIAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCC[C@H](C)C3)[C@@H]2CCC(C)=CCC1 299807775 YFOLGCJWYIGIKF-LWYYNNOASA-N 331.500 4.343 0 1 EIAF Cc1ccnc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc12 586914441 KECQDXRGZDBFJL-UHFFFAOYSA-N 345.358 4.035 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(Cl)c2[nH]1 586918369 XNADQQYQYXVIRN-YJYMSZOUSA-N 340.810 4.433 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C)c(C)c2[nH]1 586918696 ZROVWFHFKAPXJA-IERDGZPVSA-N 334.419 4.396 0 1 EIAF Cn1cc(-c2ncc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)s2)cn1 587020922 CTVZGTRDGIDOMP-UHFFFAOYSA-N 337.452 4.384 0 1 EIAF CCOc1cc(/C=C\c2nc3cc(C)cnc3[nH]2)ccc1OC(F)F 587130331 KVMXNSNLCZPKBG-ALCCZGGFSA-N 345.349 4.437 0 1 EIAF CCOc1ccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587436874 BTTHIBKELMPTAM-VFNWGFHPSA-N 349.386 4.064 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O 587457150 ZUBFCODFLHENPM-BEVDRBHNSA-N 328.408 4.064 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)cc(F)cc31)CC2=O 587472839 VXKRGMYEJMXBAS-HXUWFJFHSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)ccc1O)CC2=O 587488936 LEGILEKVLIZOQG-LJQANCHMSA-N 326.392 4.319 0 1 EIAF FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1S 587621852 LXXDZISJEHWMDZ-UHFFFAOYSA-N 336.136 4.114 0 1 EIAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc([C@@H](C)CC)cc2c1C 587641086 FDANSRYYJADQRS-VLURKWGBSA-N 328.456 4.455 0 1 EIAF OCCc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949273 DQSPPAQQGMNBFJ-UHFFFAOYSA-N 344.414 4.481 0 1 EIAF Cc1cc(C)cc(C[C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728747 FWWWSHLOKMFNDF-MSOLQXFVSA-N 347.380 4.233 0 1 EIAF Cc1ccnc2c1CCN[C@@]21C(c2ccccc2)=COc2ccccc21 963072503 SLPAPNRKUKUWQN-QHCPKHFHSA-N 340.426 4.213 0 1 EIAF CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCCC1 1772633830 GGXXGMFIAAVXCA-UHFFFAOYSA-N 339.279 4.185 0 1 EIAF Cc1ccc(CN2CCC[C@](CO)(Cc3ccccc3C)C2)s1 12202922 FKESSBRNPVWFLH-FQEVSTJZSA-N 329.509 4.182 0 3 EIAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 61927832 JOXNPNOENUFQTL-OAQYLSRUSA-N 340.467 4.075 0 3 EIAF c1ccc2c(c1)C[C@H]1N[C@]2(C2SCCCS2)c2ccccc21 27887998 PJTKFTBQVOSAOH-MJGOQNOKSA-N 325.502 4.327 0 1 EIAF Cc1cc(Cl)cc(C)c1OCCCN1C(=O)c2ccccc2C1=O 58592501 IJQHBBAYOFMHHS-UHFFFAOYSA-N 343.810 4.022 0 1 EIAF CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(C)nc21 66263470 DNCHUUHDFKEFKT-UHFFFAOYSA-N 338.798 4.133 0 1 EIAF COc1cccc(-c2cc(NCc3cc(F)cc(F)c3)ncn2)c1 82160790 CNBJJSRTAUIFCC-UHFFFAOYSA-N 327.334 4.043 0 1 EIAF Cc1ccc(OCc2cccc(COc3ccc(C)cc3)[n+]2C)cc1 95581802 KNRZHDKUBIFDFE-UHFFFAOYSA-N 334.439 4.286 0 1 EIAF C[C@@H]1CCCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103182143 KWXJMCZGRVCNIM-CQSZACIVSA-N 339.483 4.087 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(CCCO)CC[C@]34C)[C@@H]1CCC2=O 118920126 QDVSNHMGKULZNC-BXVPAPGVSA-N 348.527 4.102 0 1 EIAF Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3CC2)ccc1Br 169718561 PTGNGWQICRHLGX-PHIMTYICSA-N 346.224 4.490 0 1 EIAF COc1ccc(-c2c[nH]c3ncc(-c4ccc(N)cc4)cc23)cc1OC 299830533 WSIXHARFXPTDJH-UHFFFAOYSA-N 345.402 4.496 0 1 EIAF CCCCC[C@@H](O)[C@H](O)C/C=C\C/C=C/C/C=C\CCCC(=O)O 584905545 SYAWGTIVOGUZMM-RUHKNDHGSA-N 338.488 4.382 0 1 EIAF in-vitro O[C@H]1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 586904259 SENXOJYICVYDCN-BONVTDFDSA-N 336.288 4.290 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)cc(F)c2[nH]1 586915884 IXPBCAZBHIAWSD-VBKZILBWSA-N 338.382 4.227 0 1 EIAF CC(=O)Cc1c(C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990219 ADBITOZTRMALSO-UHFFFAOYSA-N 345.398 4.407 0 1 EIAF CC(C)Oc1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 587058339 UDXPPEYEBNANBG-OAHLLOKOSA-N 329.831 4.246 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H](C(=O)O)C3 587207673 VANCXPTVUCGLGF-GFCCVEGCSA-N 343.382 4.026 0 1 EIAF Cc1nn(-c2ccccc2)nc1C(=O)c1coc2ccc(Cl)cc12 587278649 QBIOMVLVHRUENW-UHFFFAOYSA-N 337.766 4.206 0 1 EIAF C[C@@]1(c2ccc3c(c2)CNCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587527286 UMLMYNGLEXUORE-QHCPKHFHSA-N 347.458 4.092 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Cl)nc2[nH]1 587928209 YDJCDKSIBYITAD-LLVKDONJSA-N 331.803 4.170 0 1 EIAF COc1ccccc1CN(C)C[C@H]1C[C@H]1c1cc(F)ccc1OC 1772574080 AZQNQKWCVSCOCW-NVXWUHKLSA-N 329.415 4.078 0 1 EIAF FC(F)(F)c1ccc(/C=C/CNCC2=CO[C@H]3C=CC=C[C@H]23)cc1 1772579584 GYXZAGMMDDXFGS-ZGQVYYGYSA-N 333.353 4.333 0 1 EIAF CCOc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)cc1 1857538424 JBZBOMMBOINWIN-SNAWJCMRSA-N 339.435 4.002 0 1 EIAF COc1ccc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@H]2C)cc1O 1857647815 QCHJXHQTUAMJBH-BINDOVRGSA-N 344.407 4.200 0 1 EIAF CCO[C@@H](C=Cc1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 2356466485 IADMDBFYOJAYAV-SFTDATJTSA-N 326.436 4.194 0 1 EIAF Cc1cc(O)c(C=O)c(C)c1CC[C@@]1(C)C=Cc2cc(O)ccc2O1 1633257 HXHCCUWOGMBIRD-OAQYLSRUSA-N 338.403 4.324 0 1 EIAF biogenic O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2CN3CCC2CC3)cc1 3940474 PXFAACCCJKQJNK-IBGZPJMESA-N 341.838 4.044 0 1 EIAF Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccco3)cc12 4563082 JVFJLHMBERBAMR-UHFFFAOYSA-N 335.407 4.379 0 1 EIAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCN3)cc1 13606856 BNQXFKPKYAJLIL-IZZDOVSWSA-N 336.435 4.440 0 1 EIAF CCOC1(OCC)[C@@H]2c3cccc(C)c3[C@@H]([n+]3ccccc32)C1(C)C 27517497 SMKLVXUPVDRMKI-WOJBJXKFSA-N 338.471 4.126 0 1 EIAF Cc1cc([C@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@H](C)C2)sn1 28250901 KXKZCELYSNODQC-YRNRMSPPSA-N 343.540 4.347 0 1 EIAF COc1ccc(-c2coc3cc(OC(F)F)cc(OC)c3c2=O)cc1 28979978 AZJHQSHTUUTKFM-UHFFFAOYSA-N 348.301 4.079 0 1 EIAF CC(=O)c1ccc(-c2cnc(N)nc2-c2cn(C)c3ccccc23)cc1 43078955 CYHAKLALLTXPRQ-UHFFFAOYSA-N 342.402 4.087 0 1 EIAF CC[C@H](C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 64573709 WFCCFXJZBFNWPM-NSHDSACASA-N 329.783 4.111 0 1 EIAF Fc1cccc(F)c1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 72107013 HMZKMRJTAHQVIW-CABCVRRESA-N 346.768 4.356 0 1 EIAF Fc1cccc(F)c1C1=N[C@H](c2ccc(Br)cc2)CO1 98082142 BTHSKBNIIDWPDA-ZDUSSCGKSA-N 338.151 4.245 0 1 EIAF O=C1O[C@@]2(CCc3ccccc32)CC(O)=C1SCc1ccccc1 100364306 FMRGVWMOQUXSTP-FQEVSTJZSA-N 338.428 4.478 0 1 EIAF CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 101717492 SDBNKYOFOAJKOV-SELCWUDQSA-N 349.390 4.243 0 1 EIAF CSCSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 261184077 WWCOUQDEXRRTEL-ODVMKOCSSA-N 330.515 4.035 0 1 EIAF O=C(C1CC1)n1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 473115260 QZZUKNCKHDUBAX-UHFFFAOYSA-N 328.371 4.200 0 1 EIAF Clc1ccc(-c2nc(-c3nc4nc(Cl)c[nH]c-4n3)cs2)cc1 587015718 IXJCJZXZXCOWNK-UHFFFAOYSA-N 348.218 4.402 0 1 EIAF Cc1cc(Cl)cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 587021904 QKNBQXPDDMYSRE-UHFFFAOYSA-N 329.816 4.049 0 1 EIAF C[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc(Cl)cn1 587079439 KKAOFFAOKMYZBZ-ZCFIWIBFSA-N 332.688 4.180 0 1 EIAF Fc1cc(Br)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 587161255 NXMWWLBLDVLHQB-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 587250909 RQJRNENYZXPRMF-UHFFFAOYSA-N 329.403 4.014 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccn3)cc1)O2 587394312 TZZXZNONWGMMCA-LJQANCHMSA-N 346.386 4.471 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(OC)c1)CC2=O 587465203 BCCGIELWBQGYJF-GOSISDBHSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(O)c1F)CC2=O 587465282 GLLCGOQHLZFVTB-HNNXBMFYSA-N 334.318 4.035 0 1 EIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N 587508944 GWAMJBDRFJAPHE-OAQYLSRUSA-N 337.419 4.037 0 1 EIAF CCOC(=O)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527086 WBFVKCXWBWZZCW-VFNWGFHPSA-N 342.435 4.023 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 587588703 RMOIRNLFKINUIL-RXVVDRJESA-N 347.370 4.107 0 1 EIAF COc1ccc(-c2nnc(Nc3ccc(C)cc3)s2)c(OC)c1 653747428 PGZXRYGDQVGPER-UHFFFAOYSA-N 327.409 4.274 0 1 EIAF C[C@H](C[C@H]1c2c(F)cccc2C[C@H]2CCCN12)C(=O)OC(C)(C)C 963092959 BGANUWUAUJGASO-UNEWFSDZSA-N 333.447 4.255 0 1 EIAF C[C@H](OCc1ccccc1)[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963095235 CNRSAITWKLQNJO-KLHJMIIUSA-N 325.427 4.493 0 1 EIAF Clc1cc(Cl)c2c(c1)[C@@]1(CCc3ccc4c(c31)CCO4)NCC2 963107164 LYLCKHADQXQZAU-LJQANCHMSA-N 346.257 4.264 0 1 EIAF C[C@H]1CN(c2snc3cc(Nc4ccccc4)cnc23)C[C@@H](C)O1 1911572776 PEBLYWKOCBQBTB-BETUJISGSA-N 340.452 4.049 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@H]1C 2356475886 UBSPYRWVKFNYNH-HDCAYBSHSA-N 330.424 4.028 0 1 EIAF CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CC1 2356713663 OJXGRUAWXGFZAO-LQPCMESDSA-N 330.468 4.450 0 1 EIAF O=C(NCCCCNc1ccnc2cc(Cl)ccc12)C1CCCC1 35190649 NRKPIAIJWAXWCY-UHFFFAOYSA-N 345.874 4.387 0 1 EIAF C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1 73221609 ZCFATTWFYKFQGO-SFHVURJKSA-N 336.479 4.134 0 1 EIAF COc1cccc(-c2ccc3ncc(-c4cccc(C(C)=O)c4)n3n2)c1 74386126 PIPSRGXEAYYAPZ-UHFFFAOYSA-N 343.386 4.275 0 1 EIAF CCc1ccc(-c2cc(NCc3ccc4c(c3)OCO4)ncn2)cc1 82160878 UWESBCWBXJIHCP-UHFFFAOYSA-N 333.391 4.047 0 1 EIAF CCc1ccc(-c2cc(NCCc3cccc(OC)c3)ncn2)cc1 82161222 LYWWIMZHAGVPJA-UHFFFAOYSA-N 333.435 4.369 0 1 EIAF C[C@H]1[C@@H]2Cc3ccc(N(C)C)cc3[C@]1(C)CCN2Cc1ccccc1 100719765 RWYOXWWPQFYBCZ-PDIWNELESA-N 334.507 4.477 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C=C[C@H]12)[C@](C)(O)C3 238751326 CWSOMHXHUTVAJJ-IIDSPLMYSA-N 332.484 4.099 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 586895049 MSQUCAVKAZBBFI-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Cc1c(Br)ccc2nc([C@H](C)Sc3ncccn3)[nH]c12 586962144 ORFOFYMVRVCQLI-VIFPVBQESA-N 349.257 4.277 0 1 EIAF O=C1c2ccccc2-c2c(Cc3ccccn3)cnc3ccc(O)c1c23 586987471 BLQCNCCWUWECMO-UHFFFAOYSA-N 338.366 4.138 0 1 EIAF CSc1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587021476 LYZLVTVOUMMFBF-UHFFFAOYSA-N 338.461 4.488 0 1 EIAF CC[C@H](C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106173 IMJDKCWMZBEQRG-ZDUSSCGKSA-N 345.398 4.330 0 1 EIAF COc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1F 587142478 BUWNCNFCCXZBSK-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF COc1ccc(C(=O)c2ccccc2-c2nc3cnccc3[nH]2)cc1F 587144900 QRWBYARDKQGVDG-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2c1 587160901 ICHOQTVWURZMQO-STQMWFEESA-N 344.773 4.413 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1 587162614 XQKSUYZDZNTCIF-MNOVXSKESA-N 332.176 4.131 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587196843 YSPRMAOMQJBYCW-JTQLQIEISA-N 334.345 4.195 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sccc1Br)O2 587410035 KNCDMRIHJRCOBL-LBPRGKRZSA-N 338.226 4.108 0 1 EIAF CCC[C@@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 587415009 XNODZRJBZFIITR-XOBRGWDASA-N 331.456 4.287 0 1 EIAF Fc1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1-n1cccn1 587960346 KWEHEVVSJOBLGH-GJZGRUSLSA-N 332.382 4.234 0 1 EIAF Cc1ccc2oc(=O)c(-c3cccc(OCCCN(C)C)c3)cc2c1 653758612 DDVGUYFFXMBKJJ-UHFFFAOYSA-N 337.419 4.099 0 1 EIAF COc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1 1772640606 NNIBESKDQBFDGM-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@](O)(CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 2356379041 GFLGDURTANEUKG-KYPFXXDHSA-N 346.467 4.279 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2=O 2356397607 GHBDGQQTWLVNLP-YSIASYRMSA-N 330.424 4.251 0 1 EIAF COc1cc([C@@H]2[C@H](C)[C@@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O 2356417095 QDBUCXMBHJMGCN-ZDEMKHDWSA-N 328.408 4.268 0 1 EIAF CC(=O)C[C@]1(O)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 2356479585 WJDNZDJWZBAWCP-OAQYLSRUSA-N 334.371 4.080 0 1 EIAF Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 3815213 DVMBLTDKHALLLH-UHFFFAOYSA-N 337.770 4.123 0 1 EIAF c1cncc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c1 19328155 UNYHVNRWJOVJSI-CEMLEFRQSA-N 344.462 4.029 0 1 EIAF COc1c(-c2ccc3c(c2)C[C@H](N(C)C)CO3)ccc2ccccc12 28349608 MVIHSJGOHZXKPF-SFHVURJKSA-N 333.431 4.381 0 1 EIAF O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 35280862 INTBVGDNRFKKFQ-HNNXBMFYSA-N 345.830 4.244 0 1 EIAF C[C@@H]1CN(C(=S)NCc2ccccc2Cl)N=C1c1ccccc1 40393227 LYAPLKXTQDRNTM-CYBMUJFWSA-N 343.883 4.071 0 1 EIAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C)N1CCC12CC3CC(CC(C3)C1)C2 40414399 IEDBGXYQMFIKHK-YWOLTOGESA-N 343.559 4.383 0 1 EIAF c1ccc(COC[C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1 45335912 KZEDBHGMDQYYNT-GOSISDBHSA-N 342.402 4.308 0 1 EIAF COc1cc(O)c2c(c1)/C=C\CC[C@H](C)C(=O)CCC[C@H](C)OC2=O 169292423 TVXLYIUFQKJBSN-UXCCSRGFSA-N 346.423 4.129 0 1 EIAF CC1=NC(=O)N[C@H](c2cccc3ccccc23)[C@H]1C(=O)OC(C)(C)C 169693319 YMSLXGUMJSQSLR-DLBZAZTESA-N 338.407 4.023 0 1 EIAF CC(=O)Nc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 299827480 FYTARUDKJXMNHU-UHFFFAOYSA-N 334.206 4.419 0 1 EIAF Cc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586901422 HGLFHQSQLRJWRX-MLGOLLRUSA-N 343.224 4.203 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(CO)cc2[nH]1 587011917 OIWSMCMNDJUTOK-UHFFFAOYSA-N 335.432 4.078 0 1 EIAF CC(=O)O[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096165 HKOQOLZEHOXCIF-LBPRGKRZSA-N 331.371 4.379 0 1 EIAF O=C1CCc2cc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3cc2N1 587098125 RLEVLPYOKJRFKM-UHFFFAOYSA-N 349.287 4.273 0 1 EIAF FC1(c2nc3cccc(I)c3[nH]2)CCCCC1 587133128 XXQGXQGYTHRTSY-UHFFFAOYSA-N 344.171 4.296 0 1 EIAF COc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Cl 587196097 QMNHKQOUZMSIJU-NSHDSACASA-N 329.831 4.443 0 1 EIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587241699 GHSGVJVUSYOUFO-UHFFFAOYSA-N 347.422 4.481 0 1 EIAF CCOc1cccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 587396856 QHMNJNRBKIWXDV-SFHVURJKSA-N 336.391 4.164 0 1 EIAF CC[C@]1(c2cccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425943 IPGSSYWITIXELK-BFUOFWGJSA-N 330.330 4.026 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(C)c(C)cc4n1)[C@@H](C2)C3=O 587436493 PWVUCXXWGVBYKP-KSFYIVLOSA-N 345.398 4.349 0 1 EIAF CC[C@@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440625 PMOMDKVPGNGITE-LAECCNGNSA-N 338.403 4.361 0 1 EIAF COc1cc2c3c(c1)O[C@@H](C[C@@H]1CCCc4ccccc41)[C@@H](C2)C3=O 587443702 BJDJWLXMORJEIH-KYNGSXCRSA-N 334.415 4.321 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(C)s1)(C(C)C)[C@@H](C2)C3=O 587449852 DOTFRAWXFSWLKF-IFXJQAMLSA-N 328.433 4.364 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)ccc1F)CC2=O 587467014 PLKSTSZIWNEPGN-LJQANCHMSA-N 330.355 4.070 0 1 EIAF COC(=O)c1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533227 VKQBSQYKWNVEHT-INIZCTEOSA-N 342.416 4.120 0 1 EIAF COc1cc(C)ccc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 587564565 WBKOUHIUOUODEB-UHFFFAOYSA-N 338.194 4.161 0 1 EIAF Cc1ccoc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614586 CXGRMUQHRPNNKF-OXQOHEQNSA-N 336.343 4.171 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(O)c1 587866141 VGESOVFGXOEIFB-UHFFFAOYSA-N 349.312 4.057 0 1 EIAF Oc1ccccc1-c1ccc(-c2ccc3nc(O)c(O)c(O)c3c2)cc1 914431463 DMDAXRKDNRQTIF-UHFFFAOYSA-N 345.354 4.391 0 1 EIAF Cc1c(F)ccc2c1[C@@](c1ccccc1)(c1ccsc1N)NCC2 962375415 NCTUUOBICVPWSM-HXUWFJFHSA-N 338.451 4.215 0 1 EIAF CC1(C)CN[C@H](c2ccc(C(F)F)cc2)c2cc3c(cc21)OCO3 963389834 CXROBOQGZUWHRA-QGZVFWFLSA-N 331.362 4.323 0 1 EIAF OCc1ccc(-c2cnc3cnc(-c4ccccc4Cl)cn23)cc1 1857613354 QLULDSKDLRPYDO-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@@H]2CC[C@H]34)C1 2356597123 VFPYOBOSZJFCKD-OCHXAIKFSA-N 342.571 4.469 0 1 EIAF CC(C)=CCc1c(O)ccc([C@H]2COc3cc(O)ccc3C2)c1O 14819409 KLQQHVRUXGQDHL-CQSZACIVSA-N 326.392 4.031 0 1 EIAF biogenic Cc1cccc2c([C@H](O)[C@@H]3CCCCN3)cc(-c3ccccc3)nc12 27523800 VBGIETLZISGHRP-UGKGYDQZSA-N 332.447 4.386 0 1 EIAF Cc1cccc2c([C@H](O)[C@H]3CCCCN3)cc(-c3ccccc3)nc12 27523802 VBGIETLZISGHRP-KNQAVFIVSA-N 332.447 4.386 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@H]1N2C 28137408 LFJPCUHETVUFNZ-DODZYUBVSA-N 341.476 4.154 0 1 EIAF CCOC[C@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568448 UOFWRCJSMZKWLE-UBLYIXNCSA-N 328.452 4.080 0 1 EIAF in-vivo ClC1=NN=C(c2c[nH]c3ccccc23)C[C@H]1NCc1ccccc1 38160690 DCZBRUFXIOGMBZ-GOSISDBHSA-N 336.826 4.071 0 1 EIAF C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 40878493 FUMGUTQYADOMBS-XYTVEFIISA-N 334.456 4.027 0 1 EIAF CC[C@H](c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)n1ccnc1 40977095 FVLLKKOZZXOOHZ-JOCHJYFZSA-N 347.462 4.386 0 1 EIAF CCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@H]1c1ccccc1 58522937 UVBNYVYRLVXIFP-OYGQUUSZSA-N 345.490 4.455 0 1 EIAF Cc1ccccc1-c1nnc2ccc(-c3c[nH]c4ccccc34)nn12 82060506 OCDRSSNCMNNNDF-UHFFFAOYSA-N 325.375 4.248 0 1 EIAF CC[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105481245 GTQKXNGZWXCFBI-IYJAJMOOSA-N 344.414 4.338 0 1 EIAF O=C1NC[C@@H](c2c(Cl)cccc2Cl)N1c1ccc2[nH]cnc2c1 116195358 DTBUWFXLDDEZES-AWEZNQCLSA-N 347.205 4.141 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@]1(C)CO 143404971 IIFAULFSLBRVHS-OHNMIPRVSA-N 346.511 4.179 0 1 EIAF Nc1ncnc2c1c(-c1cccc3ccccc13)nn2-c1ccccc1 169702798 WBQNNMYOSBMSBZ-UHFFFAOYSA-N 337.386 4.218 0 1 EIAF Cn1cc(-c2ncc(-c3nc4cccc(C(F)(F)F)c4[nH]3)s2)cn1 587020842 BRBPVDBFXYLDEA-UHFFFAOYSA-N 349.341 4.106 0 1 EIAF Cc1c(F)ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587023915 WWUBRLDEFQEMHB-UHFFFAOYSA-N 348.403 4.481 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(F)cc(F)c2[nH]1 587027072 OPPHXCVVKMYWEB-UHFFFAOYSA-N 331.347 4.457 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(F)ccc1F)(C(C)C)O2 587382477 RWTBAEMASDWMOF-IBGZPJMESA-N 331.362 4.372 0 1 EIAF COc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389366 HVHHCVMXGFQWKS-HXUWFJFHSA-N 348.402 4.083 0 1 EIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)C 587400782 OFVJDHKAKWLMPN-GOSISDBHSA-N 341.407 4.080 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cnc(C4CCCC4)s1)[C@@H](C2)C3=O 587453991 UDSSDYCLEYVEMR-SCLBCKFNSA-N 341.432 4.298 0 1 EIAF CS(=O)(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587631253 YTXVSAPNSZKEIQ-UHFFFAOYSA-N 341.766 4.170 0 1 EIAF FC1(F)Oc2cc3nc(COC/C=C/c4ccccc4)[nH]c3cc2O1 587781943 ZOSUDXOCGRKHFY-QPJJXVBHSA-N 344.317 4.114 0 1 EIAF CCC(=O)[C@]1(CC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640604 MEFOIYYDAWMFRN-OFNKIYASSA-N 348.490 4.018 0 1 EIAF CC[C@]1(c2cccc(Cl)c2F)NCCc2c1c(C(C)C)nn2C 962911034 OAYNADXFHXCTNP-GOSISDBHSA-N 335.854 4.135 0 1 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)C3=C(C=C(O)C(=CC(=O)O)CC3)CC[C@@H]12 2356511226 CISIZTZWNFTWTO-UXPWSPDFSA-N 346.423 4.221 0 1 EIAF O=C1[C@H]2CCCN2[C@H](c2ccc(F)c(F)c2)N1c1cccc(Cl)c1 58047081 DASPTHKYVBHSGO-SJORKVTESA-N 348.780 4.128 0 3 EIAF O=C(Nc1ccc2c(c1)CC[C@H]2O)c1cc2cc(Cl)ccc2[nH]1 3963206 HPKCHEFEFGVMOJ-QGZVFWFLSA-N 326.783 4.053 0 1 EIAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C)N1[C@H](C)C12CC3CC(CC(C3)C1)C2 27211233 FMTWNDZOVDJRKQ-FJNPAIAZSA-N 343.559 4.382 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@H]1N2C 28132977 XDCKKLJZZNMBOS-WJFTUGDTSA-N 341.476 4.154 0 1 EIAF C=[N+]1N=C(CCC2CCN(Cc3ccccc3)CC2)c2ccccc21 28460916 QPMZSAYBBBHOOQ-UHFFFAOYSA-N 332.471 4.441 0 1 EIAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40442451 UPBHDNBADOAHCA-YUDLKVPISA-N 332.484 4.242 0 1 EIAF biogenic O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1ccc(Cl)cc1F 72141454 BARDOQOZPQZBAZ-KRWDZBQOSA-N 349.192 4.207 0 1 EIAF CNC(=O)CCc1cc(OC)cc(-c2ccc3cc(OC)ccc3c2)c1 96174248 OQDKFAJBEHUNKD-UHFFFAOYSA-N 349.430 4.203 0 1 EIAF NNc1nc(-c2cccs2)nc2scc(-c3cccs3)c12 138652601 QJXRWYSSYVNBQB-UHFFFAOYSA-N 330.463 4.434 0 1 EIAF COc1cccc(CCc2ccccc2NC(=O)c2cccnc2)c1 169311024 ZPGAAIQKBCLAPC-UHFFFAOYSA-N 332.403 4.128 0 1 EIAF C[C@]12Cc3conc3C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)O 169371869 NSYTUNFHWYMMHU-AWGIFHJNSA-N 329.484 4.383 0 1 EIAF COc1ccc(-c2cc(C(=O)[C@H]3CCCCN3)c3ccccc3n2)cc1 299862146 JGDNWMBSMHHLPY-HXUWFJFHSA-N 346.430 4.235 0 1 EIAF O[C@H]1C[C@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 586902449 KVXHFSXZTDSLHO-FZMZJTMJSA-N 347.187 4.034 0 1 EIAF c1ccc(Cc2ncc(-c3nc4cc5cn[nH]c5cc4[nH]3)s2)cc1 587021930 RBYSCURBBYNMEW-UHFFFAOYSA-N 331.404 4.154 0 1 EIAF CC(C)(CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)O 587207062 HRRBSGSHYYNKPV-UHFFFAOYSA-N 345.398 4.490 0 1 EIAF COc1cncc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587242716 XYJZCFFCFGIMPI-UHFFFAOYSA-N 338.411 4.008 0 1 EIAF O=C(/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccccc1 587244612 QFSPGLHYUHPADC-VOTSOKGWSA-N 333.725 4.146 0 1 EIAF C[C@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344373 GPSONZCFGOUCTP-UYAOXDASSA-N 337.350 4.134 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C(C)C)n1)CC2=O 587476988 SLVFOSLDFPNCST-SFHVURJKSA-N 328.412 4.137 0 1 EIAF O=C1C[C@@H](c2c(Cl)ccnc2F)Oc2c1ccc1c2CCCC1 587504291 GYMFVROAQVSITR-HNNXBMFYSA-N 331.774 4.459 0 1 EIAF COc1ccc(F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506386 RVCLKXLZGNYXGV-IBGZPJMESA-N 326.367 4.420 0 1 EIAF CCCOc1cccc(Cc2nc3ccnc(Br)c3[nH]2)c1 587568812 NIOLMCUYNGONAG-UHFFFAOYSA-N 346.228 4.100 0 1 EIAF Cc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587591448 VQPKTZMHLJXEJX-OXJNMPFZSA-N 335.359 4.040 0 1 EIAF CCCc1ccc2oc(C(=O)[C@@H]3CCC(=O)NC[C@@H]3C)c(C)c2c1 621485676 FGHRKUGZMFDZHV-SWLSCSKDSA-N 327.424 4.039 0 1 EIAF Cc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(N)c1 962723562 ZQAUYRLTUUIVFM-VLIAUNLRSA-N 342.483 4.169 0 1 EIAF Cc1ccc([C@]2(c3ccnc(C)c3)NCCc3ccc(O)cc32)c(C)c1 963329827 VBPJVZYRGNQSJB-QHCPKHFHSA-N 344.458 4.150 0 1 EIAF COc1ccc2c(c1)CCN(CC[C@H](F)Cc1ccccc1)CC2 1857557854 UORHUEYQEKFSIE-FQEVSTJZSA-N 327.443 4.067 0 1 EIAF COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)cc1F 1857638211 CMTAUAIINILRPR-UHFFFAOYSA-N 339.292 4.180 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@H]2C1(C)C)C[C@@]45CO 2356432212 UBTQUINDRHFXPQ-GAUHUMSHSA-N 346.511 4.179 0 1 EIAF CCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl 6305 JPXHDJHUEXAQRF-UHFFFAOYSA-N 346.239 4.353 0 1 EIAF CCC(NC(=O)Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 3189026 NAHIEKFLZQLQFR-UHFFFAOYSA-N 328.256 4.390 0 1 EIAF biogenic Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(Br)c2c1 3949888 AICOQICFGBXDBO-UHFFFAOYSA-N 334.144 4.215 0 1 EIAF O=c1c(N2CCc3ccccc3C2)csc2ccc(Cl)cc12 5202490 DQWSDGALMNALFH-UHFFFAOYSA-N 327.836 4.478 0 1 EIAF CCOC[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681688 UOFWRCJSMZKWLE-SFWRJULSSA-N 328.452 4.080 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(C)cc2)oc1-c1cccs1 27082299 LIIPRKLWVUMFLX-UHFFFAOYSA-N 327.405 4.484 0 1 EIAF C=CC(=O)NCC[C@@H]1C[C@@H](c2ccccc2)Cc2ccc(OC)cc21 40949341 IWXZDJPJSBPQPA-MOPGFXCFSA-N 335.447 4.201 0 1 EIAF CC(C)COC(=S)SCCSC(=S)OCC(C)C 85733790 FZTYJFQXNTUMQL-UHFFFAOYSA-N 326.574 4.368 0 1 EIAF Cc1ncsc1[C@@H](c1ccccc1)n1cc(Cc2ccccc2)nn1 95556292 FOXGURPRYVUYSE-LJQANCHMSA-N 346.459 4.272 0 1 EIAF CCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321776 XSQLQSYWTKVSEH-NJDAHSKKSA-N 329.484 4.066 0 1 EIAF CC(C)(C)c1cccc2[nH]c(-c3cccnc3SCC(=O)O)nc12 586967841 GYSLWHCQJVGUNK-UHFFFAOYSA-N 341.436 4.099 0 1 EIAF O=C(O)c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1F 587107184 PSLPYYBTKHCXMV-UHFFFAOYSA-N 338.260 4.010 0 1 EIAF OCc1ccc(F)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587140757 PPHAYVMYZFHBON-UHFFFAOYSA-N 348.377 4.440 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(CCOCC1)CC3 587209185 MTMNLBXOMVNCOS-UHFFFAOYSA-N 341.410 4.441 0 1 EIAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(C)(C)C)cc3[nH]1)C2 587247636 VLFHCPJNEPCVBL-JOCHJYFZSA-N 349.478 4.212 0 1 EIAF O=C(O)CC1=C(c2cccs2)Cc2c1nc1cccc3c1c2CC3 587360104 LQHJKWBKARPTNJ-UHFFFAOYSA-N 333.412 4.337 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3sc(C=O)cc3s1)O2 587412365 ASSYAZRQZOXEFI-ZDUSSCGKSA-N 343.429 4.372 0 1 EIAF CCC[C@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 587415007 XNODZRJBZFIITR-VBKZILBWSA-N 331.456 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn3cccc(C)c3n1)CC2=O 587490969 QJJGULLRYHUYML-SFHVURJKSA-N 336.391 4.007 0 1 EIAF CSC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 587614679 UJFBAVRRTKLTOI-MAUKXSAKSA-N 342.416 4.008 0 1 EIAF Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587628965 CFOOJKNETLJONO-UHFFFAOYSA-N 341.720 4.171 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(F)(F)F)N1 587709289 KEKNZFKPDIVGNL-JVXZTZIISA-N 340.158 4.290 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc3cn[nH]c3cc2[nH]1 587935375 UFBZGMIVJHYYEB-UHFFFAOYSA-N 330.391 4.020 0 1 EIAF CC(C)(C)Oc1ccc(O)n1-c1cc(F)c(Br)cc1F 587943884 RKPLJAZEMJZXCH-UHFFFAOYSA-N 346.171 4.401 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587953054 YZBPTCVBRZIOEV-SCVCMEIPSA-N 342.365 4.370 0 1 EIAF CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCC2)cc1 1857574483 FVADHUYFFATONF-UHFFFAOYSA-N 339.483 4.231 0 1 EIAF O=C(CCCCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1 2356544599 VIQYOKDVSJLKNG-UHFFFAOYSA-N 329.440 4.392 0 1 EIAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@]21C 2356747441 UINDYEKBRZRPSX-UVJZNVBJSA-N 332.484 4.469 0 1 EIAF COc1cccc([C@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 61907856 KQKQOERQZXAHFJ-INIZCTEOSA-N 333.359 4.179 0 3 EIAF C1=C(c2ccccc2)NC2=N[C@H]3CCCC[C@@H]3N2[C@H]1c1ccccc1 5832794 KUARHCORKHWPNE-SESVDKBCSA-N 329.447 4.355 0 1 EIAF CC(=O)Nc1ncc(SCc2ncc(-c3ccccc3)o2)s1 12354833 QCLGQMKUDBLDML-UHFFFAOYSA-N 331.422 4.049 0 1 EIAF Cc1c(Cc2c(Cl)cccc2Cl)nc(SC(C)C)[nH]c1=O 13556522 UNQDMPWOAWJAIZ-UHFFFAOYSA-N 343.279 4.476 0 1 EIAF Cc1sc(-c2ccc(C(=O)OCCc3ccccc3)cc2)nc1O 13822564 FIINYJNFYMRPIP-UHFFFAOYSA-N 339.416 4.224 0 1 EIAF CCO[C@H](CCc1ccccc1)c1c(OC)cc(OC)c(OC)c1O 14652441 HUSKJGUGYVRMTB-OAHLLOKOSA-N 346.423 4.128 0 1 EIAF biogenic CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904353 WGPZAVZHAGYUOL-WQUGUCIPSA-N 331.500 4.055 0 1 EIAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2nccnc2c1 14970823 IHJROTPCROQIGM-UHFFFAOYSA-N 346.415 4.193 0 1 EIAF O=C1c2c(O)cccc2C(CCc2ccccc2)c2cccc(O)c21 26963064 RQEKLJOOYBGCGU-UHFFFAOYSA-N 330.383 4.407 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C 27982303 HGNMYGRBKGXPFK-DOIPELPJSA-N 335.447 4.093 0 1 EIAF CCCCCC[C@@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821472 YKJNNNVZUUQNHM-RBUKOAKNSA-N 349.858 4.454 0 1 EIAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccs3)cc1)O2 38266564 LFBAGZZBQAENDV-CUSZFKRNSA-N 328.433 4.239 0 1 EIAF Cc1ccccc1N(C)C(=O)c1cccc2c1C(=O)c1ccccc1-2 40379696 FUNVJESGLBBGRL-UHFFFAOYSA-N 327.383 4.483 0 1 EIAF Fc1cccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)c1 40895805 MUJNCQIINOKYHF-UHFFFAOYSA-N 328.368 4.103 0 1 EIAF Cc1csc(NC(=O)c2cc(Oc3ccccc3F)ccc2N)n1 40915503 JUHRRQSPYIVMEW-UHFFFAOYSA-N 343.383 4.217 0 1 EIAF CCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1 45254097 GMMCGAUGVKQWNP-UHFFFAOYSA-N 327.384 4.011 0 1 EIAF Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCCC2)cc1Cl 45385965 SUHBXDPETHQPJC-RLFYNMQTSA-N 340.294 4.430 0 1 EIAF CC[C@@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC 66165811 RNCWKUCWPBNWOH-XAPSYRGFSA-N 333.516 4.292 0 1 EIAF CCCCC[C@H](C)NCc1coc(-c2cc(OC)cc(OC)c2)n1 72186390 PRAFOIVZTFYXQP-AWEZNQCLSA-N 332.444 4.417 0 1 EIAF Cc1cc(C)n(C(=O)COc2ccc(-c3cc4ccccc4[nH]3)cc2)n1 82153664 ZZESLYJYJYUYNJ-UHFFFAOYSA-N 345.402 4.367 0 1 EIAF COc1ccc2c(c1)oc1c(O)nc(-c3ccccc3Cl)nc12 84712479 VXUOYQBXMFJHDU-UHFFFAOYSA-N 326.739 4.411 0 1 EIAF CCC(CC)CN1[C@@H]2CC[C@@H]1[C@@H](c1cccs1)[C@@H](C(=O)OC)C2 169335628 JWURNARYJKMRIB-HPFXQQBRSA-N 335.513 4.294 0 1 EIAF CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)C[C@H](O)[C@]12C(=O)O 238754441 QVNWBXBUWGPGRM-QMALUCSJSA-N 332.440 4.047 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586963568 OICMDEVXZFYMTM-JTQLQIEISA-N 330.384 4.395 0 1 EIAF CC(C)(C)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586967799 FJGMHSUISNJVAJ-UHFFFAOYSA-N 341.436 4.246 0 1 EIAF COc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1F 587017235 KCZSSMYJSUOEQN-UHFFFAOYSA-N 329.356 4.018 0 1 EIAF Clc1cccnc1-c1nc(-c2nc3cncc(Cl)c3[nH]2)cs1 587018242 YZNCULDMBFDNSS-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF Clc1ccccc1CCc1nc2ccnc(Br)c2[nH]1 587059725 UONWYTGUTRJSQH-UHFFFAOYSA-N 336.620 4.159 0 1 EIAF Clc1ccccc1-c1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)co1 587060969 RFRKCDPQHVDFES-UHFFFAOYSA-N 335.754 4.415 0 1 EIAF Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)cc1C(F)(F)F 587095692 QWICZTJNYIXSDY-UHFFFAOYSA-N 334.297 4.210 0 1 EIAF N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587156427 NKKICUDRCAJQIP-BDJLRTHQSA-N 335.304 4.062 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1 587160912 IEHXJMKNYQPVID-RYUDHWBXSA-N 332.176 4.131 0 1 EIAF Cc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167180 ONYWWJQASGAOSI-VOTSOKGWSA-N 329.762 4.316 0 1 EIAF COc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Cl 587176293 JYGOIEJXKKNJFU-UHFFFAOYSA-N 342.761 4.161 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Cl)cc1Cl)O2 587380320 SQVDVBKVCHVHGY-INIZCTEOSA-N 337.206 4.160 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2)N1 587730801 KVNVTHNUTFWTNH-ABKXIKBNSA-N 338.195 4.351 0 1 EIAF CS[C@H](C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587842647 VHMVMGPGBHSFIB-YGOYTEALSA-N 332.282 4.305 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)cc(F)c2[nH]1 587927106 OCQHHVDGLPOWKC-LBPRGKRZSA-N 332.350 4.400 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587938656 YGIYBHWJLKTTSD-GTNSWQLSSA-N 330.815 4.370 0 1 EIAF Fc1cccc2cc(-c3cn4nc(Br)sc4n3)oc12 653768974 QYVJVBDFRUTIFG-UHFFFAOYSA-N 338.161 4.106 0 1 EIAF Cc1c(O)ccc2c1[C@@]1(CCCC3(CCCCC3)C1)N[C@H](C(=O)O)C2 963510914 QVNKPNOZQGUCGA-KKSFZXQISA-N 343.467 4.019 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@H](c1ccccc1)NC(=O)N2C 1911573103 XFBRDTMFVAACDR-IBGZPJMESA-N 333.391 4.207 0 1 EIAF C[C@@H](C=C[C@@H](C)[C@H](C)CO)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@H]3CC[C@@]21C 2356581784 KTECGYIRZKGESY-NQEJKGNMSA-N 332.484 4.121 0 1 EIAF CC=C(C)[C@@H]1C(C)=C[C@H]2[C@@H]([C@@H](C)CC[C@H]2O)[C@H]1C=CC=CC(=O)O 2356759124 KNDPLJZJPQWOMQ-JZUJSFITSA-N 330.468 4.365 0 1 EIAF C[C@@H]1O[C@H](CCc2cccc(Cl)c2)CC2=C1C(=O)OC(C)(C)O2 95567545 CIEBXWSXHDPKNH-SMDDNHRTSA-N 336.815 4.014 0 3 EIAF COc1c2occc2c(CN(C(C)C)C(C)C)c2ccc(=O)oc12 5760279 YRPYSHMAXPZBCL-UHFFFAOYSA-N 329.396 4.167 0 1 EIAF C[C@H](CO)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 13646307 MUKXYIDGJCNPIW-CQSZACIVSA-N 345.402 4.350 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@]12O 14513252 CALDUYGLNFEUDP-HKBOAZHASA-N 342.435 4.039 0 1 EIAF biogenic CN(C)[C@@H](Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12 15209785 RHWHMFSBROSYKE-IBGZPJMESA-N 331.419 4.267 0 1 EIAF biogenic CN(C)c1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)cc12 27523124 RVNUXOMSBCLBBA-UHFFFAOYSA-N 343.224 4.024 0 1 EIAF CC1(C)CNCc2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc21 45168344 KUHUOGXUTJDKHN-BJMVGYQFSA-N 340.854 4.373 0 1 EIAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CC(=O)c1ccoc1)[C@]32C 85720936 MWLPYLBURDMXHE-ZQMCYQMTSA-N 328.408 4.167 0 1 EIAF CCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12 95571780 NQCVQKPFAOKLIT-UHFFFAOYSA-N 340.858 4.329 0 1 EIAF CCCc1ccc2c(c1)sc(=O)n2CCCCN1CCCCC1 103293216 BLHCMBHQQUDGTF-UHFFFAOYSA-N 332.513 4.282 0 1 EIAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CC1CC1 169314751 LLHFMMQRFKKJKB-AVIJNYRZSA-N 333.475 4.355 0 1 EIAF CC(=O)Nc1nc2c(s1)C1(CCCC1)Nc1ccccc1S2 299849824 BNFTYJDRDZGZQI-UHFFFAOYSA-N 331.466 4.448 0 1 EIAF Brc1cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586886193 ONQVCVMMUJNCKB-SUMWQHHRSA-N 340.224 4.092 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586963171 LKWBSFKXLAAACQ-BDJLRTHQSA-N 326.425 4.281 0 1 EIAF Cc1ccc(SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1 586964212 YTTICVUADBOPIC-KRWDZBQOSA-N 326.425 4.196 0 1 EIAF Clc1cccc(COc2ccc(-c3nc4ncc[nH]c-4n3)cc2)c1 587070355 HXECADKHFMGLLR-UHFFFAOYSA-N 336.782 4.204 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1cccs1)O2 587411635 FBJFZZQOAHGSTC-SFHVURJKSA-N 338.432 4.195 0 1 EIAF CCOc1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587442535 QDGAQUWSUSHEHE-IERDGZPVSA-N 338.403 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C)c1O)CC2=O 587478487 AZSMHQFGEIQWAY-GOSISDBHSA-N 326.392 4.374 0 1 EIAF CCOC(=O)C[C@]1([C@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 587523556 KBDAJWBJPWXXGT-SZNDQCEHSA-N 344.451 4.269 0 1 EIAF CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587523564 KGMOIQYSICOTJF-IBGZPJMESA-N 338.403 4.376 0 1 EIAF Cc1cc(Br)cnc1-n1nc2cc1Oc1ccc(F)cc1-2 587872559 NKVHSBCIDGUYSQ-UHFFFAOYSA-N 346.159 4.250 0 1 EIAF COc1cccc([C@H](C)Cc2nc3ccc(Br)nc3[nH]2)c1 587932812 VWXPTSRCRBSHBB-SNVBAGLBSA-N 346.228 4.075 0 1 EIAF CCCCOc1ccc(O)cc1[C@@H]1NCCc2cc(C)c(F)cc21 962094080 RISSRIULWSFTQA-HXUWFJFHSA-N 329.415 4.254 0 1 EIAF Nc1cc2c(cc1Cl)CC[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963094100 BKSNRELSPNDFJY-VLIAUNLRSA-N 342.845 4.272 0 1 EIAF CN(C)CCCNc1c2c(nc3ccc(F)cc13)-c1ccccc1C2 1857573114 HYSJDIWZEDWPAF-UHFFFAOYSA-N 335.426 4.309 0 1 EIAF Cc1cc(-c2[nH]c(=N)sc2-c2ccc3ncccc3n2)ccc1F 1857641870 HCRAOFGBQMGBHB-UHFFFAOYSA-N 336.395 4.280 0 1 EIAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)O[C@H]2C=C(C)CC[C@@H]1O 2356409637 OGDIPDDKOOVFTL-IRFCIJBXSA-N 348.483 4.241 0 1 EIAF COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)C(C)=C2C)ccc1O 2356484588 ACZGXHWMDDHKRQ-WOJBJXKFSA-N 342.391 4.264 0 1 EIAF CCCCCC=C[C@H](O)[C@H](O)C=CC=CCC=CCCCC(=O)O 2356686368 CGXPEDOFBFGHJH-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF O=C(Nc1ccncc1)Nc1ccc(Br)cc1Cl 15933856 JXPZTYGADJOYTJ-UHFFFAOYSA-N 326.581 4.142 0 3 EIAF COc1ccc2c(nc(Nc3c(C)cccc3C)c3cncn32)c1OC 13441526 IPHIFOKYAREGSF-UHFFFAOYSA-N 348.406 4.260 0 1 EIAF CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccccc3)c2C1(C)C 13758911 SKTUUFGKYCXMDW-UHFFFAOYSA-N 346.434 4.276 0 1 EIAF CCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28005933 GIFGQVCVZIIPRG-FPOVZHCZSA-N 342.433 4.179 0 1 EIAF C[C@]12CC[C@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)F 29559391 JKIHSRJVVBRFBB-PCCRXHMLSA-N 342.401 4.422 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801277 YUEVEZWXYBGVTF-XNCUBOGASA-N 345.527 4.301 0 1 EIAF CCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 40897863 GNWNUHCMWVZIFN-UHFFFAOYSA-N 332.318 4.305 0 1 EIAF Nc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40933169 BXLQCMUCZHGYTD-UHFFFAOYSA-N 336.178 4.205 0 1 EIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC[C@@H](c2ccccc2)C1 45389939 RKMDPZGRAJLGJP-AZUJZOOKSA-N 338.495 4.400 0 1 EIAF Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H](N)CC(C)C)cc12 49035472 NBFZFFNTBDLMKY-AWEZNQCLSA-N 326.469 4.295 0 1 EIAF Cc1cc2c(O)c3c(c(O)c2o1)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@@H]1CC3=O 64559156 YLFXZDORYFPSOA-DLVGZBSQSA-N 326.392 4.433 0 1 EIAF Cc1csc(NC(=O)N2CCC(n3ccc4ccccc43)CC2)n1 103241451 JMPQWEVNPCTAEW-UHFFFAOYSA-N 340.452 4.275 0 1 EIAF NCCCNCCCNC(CCC1CCCC1)CCC1CCCC1 169315403 CJVQJRAAWPVAMD-UHFFFAOYSA-N 337.596 4.214 0 1 EIAF C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cc(Cl)cc(Cl)c2)c1O 169727161 IKINEOLQRJAILH-IYBDPMFKSA-N 340.206 4.450 0 1 EIAF Clc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1 225186119 ZMVNTSGTSGHZGS-UHFFFAOYSA-N 343.858 4.448 0 1 EIAF COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@@H]1CC[C@@H]2C(C)C 263639048 YRWFATJGYPJDRM-XGIBXREJSA-N 334.500 4.345 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCCO3 587154568 DUMYSBOHDOGQHK-HNNXBMFYSA-N 342.370 4.393 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccccc5c41)[C@@H](C2)C3=O 587437996 KFWDJJWDASJCHV-NYHFZMIOSA-N 345.398 4.156 0 1 EIAF NC(=O)c1sc2cncc(-c3cccc(-c4ccccc4)c3)c2c1N 621430168 DWFRAFZHJFAYED-UHFFFAOYSA-N 345.427 4.311 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1CC2=O 2356397606 GHBDGQQTWLVNLP-IHPCNDPISA-N 330.424 4.251 0 1 EIAF COc1ccc(N[C@@H]2CCCN(Cc3cccc4cnccc34)C2)cc1 12434614 HEWQPJSIWSDLSA-HXUWFJFHSA-N 347.462 4.320 0 3 EIAF CN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 3815266 BNMOXMJDRLQWOW-UHFFFAOYSA-N 343.228 4.202 0 1 EIAF COc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1Cl 4006276 SZQLAWNXRYASKW-OAHLLOKOSA-N 348.855 4.143 0 1 EIAF CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@H]1[C@@H]2C 13424860 KPUIORAMYKZOGW-AVFIKVKVSA-N 329.440 4.489 0 1 EIAF Cc1nc2ccccn2c1-c1ccnc(Nc2cccc(Cl)c2)n1 14945884 KJLKMQRZXPBHID-UHFFFAOYSA-N 335.798 4.497 0 1 EIAF CNC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1 28822107 KOOWOHRTUITIEC-UHFFFAOYSA-N 325.452 4.480 0 1 EIAF Cc1ccc(C2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C 29308220 OBHCEADEAPCRBN-JOCHJYFZSA-N 348.490 4.358 0 1 EIAF C/C=C(/C)C(=O)OC/C=C/c1ccc(OC(=O)/C(C)=C\C)c(OC)c1 33830300 XBXXXXXDBUJKFO-VJFCEBIRSA-N 344.407 4.089 0 1 EIAF biogenic,in-vitro Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 34029629 WFCJHEKNLOFCPH-UHFFFAOYSA-N 346.312 4.315 0 1 EIAF Fc1ccc(Nc2ncnc3cc4c(cc23)OCCCO4)cc1Cl 45373581 LLQGZWJILXYRTR-UHFFFAOYSA-N 345.761 4.327 0 1 EIAF COc1ccccc1-c1cc2c(Nc3ccccn3)nccc2n1C 82082699 JSZATTHSWZSXET-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF Cc1nccc2c3ccc(OC(C)(C)C)cc3n(CCCCN)c12 84604173 IPTQACFMCXUXER-UHFFFAOYSA-N 325.456 4.414 0 1 EIAF O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1Cc1ccccc1 95555759 PFDOQRXZUVJMKP-UHFFFAOYSA-N 349.217 4.111 0 1 EIAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 101023308 UTSVFENYHGEOSM-OALUTQOASA-N 345.845 4.494 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(O)c(Cl)c3[C@]1(C)CCN2C(=O)C1CCCC1 201104355 SCPHQAHYDLLZMN-PGICJIBASA-N 347.886 4.287 0 1 EIAF COc1cc(Br)c(O)cc1C/C=C(\C)CCC(C)(C)O 238771468 BQFZRHKDOSJPIN-VZUCSPMQSA-N 343.261 4.203 0 1 EIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 586948588 PBJQLALSDXKNBR-UHFFFAOYSA-N 349.843 4.033 0 1 EIAF Cc1ccc(CSCCc2nc3cccc(C(=O)O)c3[nH]2)cc1 586970669 HZPAQFOOKKILAC-UHFFFAOYSA-N 326.421 4.045 0 1 EIAF FC(F)(F)COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccn1 587091027 FICUKRSRHISCCZ-UHFFFAOYSA-N 347.340 4.445 0 1 EIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C 587399263 HWWXQGLCEZYPSO-SFHVURJKSA-N 341.407 4.080 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(-c3ccccc3)s1)O2 587414742 VJHRPGOHCFBPIV-MRXNPFEDSA-N 336.416 4.407 0 1 EIAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587421738 WZCQKGYYFMOPKG-YJYMSZOUSA-N 344.794 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1OC)CC2=O 587466932 QRHQDVTUZZNQFU-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cn1)(C(C)C)CC2=O 587473214 YMJZIWZCRBRUNP-HXUWFJFHSA-N 343.398 4.396 0 1 EIAF Cn1ncc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587517918 XBWZHBCNZRHGGO-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cl)c1 587871340 UFXSVWGYAFLZJO-UHFFFAOYSA-N 344.773 4.430 0 1 EIAF COc1cccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587930082 DJPIJMLHBMLQOE-UHFFFAOYSA-N 336.313 4.255 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4c(O)cccc4[nH]3)cc2)c1 587932478 UOCKPVPDGFCZLO-UHFFFAOYSA-N 344.370 4.175 0 1 EIAF CC(=O)C[C@@]1(c2ccccc2Cl)NCCc2ccc(F)c(C)c21 962096065 ZPRXQDVMKVDJNR-IBGZPJMESA-N 331.818 4.156 0 1 EIAF COc1ccccc1-c1cc(NC(C)=O)nc(-c2ccccc2OC)c1 1772623798 YHGNKVADFQZJPK-UHFFFAOYSA-N 348.402 4.391 0 1 EIAF CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1 1772625204 BYPXTRMEEKIMDI-UHFFFAOYSA-N 337.345 4.199 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253778372 HQWPPVLSHLFTDY-URFAJVILSA-N 329.484 4.180 0 3 EIAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCCCCC1 201334 NNPURNHJZNMSRV-UHFFFAOYSA-N 327.405 4.024 0 1 EIAF CCN(CC)CCOC(=O)[C@H](CCc1ccccc1)c1ccccc1 1995415 RHQLGMFQMOJMSC-OAQYLSRUSA-N 339.479 4.288 0 1 EIAF biogenic CC(C)[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 38694663 KCSVKOJCUGKGDT-MRXNPFEDSA-N 342.222 4.373 0 1 EIAF Cn1c(-c2ccc(Oc3ccccc3)cc2)nc2cc(C(N)=O)ccc21 40563698 TYCSXIRSWAOGJJ-UHFFFAOYSA-N 343.386 4.132 0 1 EIAF Cc1ccc2ccc(C(=O)NCCCCc3ccccc3)c(O)c2n1 40896964 BEBMZDRCPTWHTC-UHFFFAOYSA-N 334.419 4.002 0 1 EIAF C[C@H]([C@@H](O)c1cccc(F)c1)N1CC=C(Cc2ccccc2)CC1 84654909 SQNUVGLAMLMYCU-IIBYNOLFSA-N 325.427 4.122 0 1 EIAF Cc1ncsc1[C@H](c1ccccc1)n1cc(Cc2ccccc2)nn1 95556293 FOXGURPRYVUYSE-IBGZPJMESA-N 346.459 4.272 0 1 EIAF COc1ccc(CNc2ccc3c(Cl)c(OC)oc(=O)c3c2)cc1 95589675 AECFIDNSUBJGQB-UHFFFAOYSA-N 345.782 4.076 0 1 EIAF C[C@@]12C[C@@H](c3ccco3)OC(=O)[C@H]1CC[C@@]1(C)C(C(=O)O)=CCC[C@@H]21 238753621 OVBSRGHUSFLVGK-HKJUHCEFSA-N 344.407 4.111 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586879281 KRLQGOFXHOZDKT-WAYWQWQTSA-N 334.709 4.259 0 1 EIAF Cc1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587022221 WLJLYWFLQSDTAH-UHFFFAOYSA-N 328.622 4.411 0 1 EIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccnc(Cl)c2[nH]1 587116124 OXDAWSURUBXCOW-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF Cc1cc(C)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 587119708 UYUHVXJCBYZJCH-UHFFFAOYSA-N 334.345 4.321 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(F)c2[nH]1 587236088 YUBCIIYLKQALGO-DGCLKSJQSA-N 333.407 4.253 0 1 EIAF C[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359451 YQJQDRKINOQXFQ-ICSRJNTNSA-N 338.334 4.399 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccc1 587600353 AXPNYODEZORJPC-AZUAARDMSA-N 346.382 4.355 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1cccc(Cl)c1C 587637562 CTGBLQGEOYMFOH-UHFFFAOYSA-N 342.782 4.389 0 1 EIAF CCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587752725 FIDXOYJMXFUKPQ-QLJPJBMISA-N 337.236 4.033 0 1 EIAF CC[C@@]1(CSC)N[C@H](C)Cc2cc(Br)c(F)cc21 587848525 XBBOSAAMIYDOAD-OTYXRUKQSA-N 332.282 4.091 0 1 EIAF Brc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cn1 587951545 OBNJENNRDQXYSO-UHFFFAOYSA-N 344.212 4.319 0 1 EIAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCC=C(C)C)cccn12 61903466 KEIAPPCJXMSHIV-UHFFFAOYSA-N 343.471 4.387 0 3 EIAF Nc1cc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)ccn1 204756655 YFPKHIIRBAOIID-UHFFFAOYSA-N 349.344 4.296 0 3 EIAF COC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2 1645360 HASRHQLTKNPGGG-UHFFFAOYSA-N 334.459 4.238 0 1 EIAF O=C(Nc1ccc(F)cc1)c1cc2c(=O)oc3ccccc3c2s1 2494662 JETOCVSIZFVFML-UHFFFAOYSA-N 339.347 4.399 0 1 EIAF Cc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 4960726 QAGNZZAAYYVDCC-HXUWFJFHSA-N 329.403 4.157 0 1 EIAF CCC(=O)N(c1ccccc1)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 5497853 INISVGFBGYOYGS-CTNGQTDRSA-N 334.463 4.191 0 1 EIAF CCCCC[C@H](O)/C=C/C[C@H]1CCc2c(cccc2OCC(=O)O)C1 26010568 HTOCRZZCAFEVBG-AAIOTLLWSA-N 346.467 4.142 0 1 EIAF CCCCCN(C)C1(c2cccc(O)c2)CCC2(CC1)OCCO2 27092675 WYNZHKMNJZZCRO-UHFFFAOYSA-N 333.472 4.027 0 1 EIAF CCNc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243503 YEPIVZHQKPQDAM-UHFFFAOYSA-N 329.783 4.457 0 1 EIAF CCCCCOc1ccc(COc2cccc(O)c2C(=O)O)cc1 103244748 UZOYPXGVPCFFKD-UHFFFAOYSA-N 330.380 4.238 0 1 EIAF COc1cccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)c1 103248153 DKNBIZLUMJXWDU-MDZDMXLPSA-N 342.338 4.159 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCC[C@@H](N)C3)cc12 226059137 SHNSWJMXXCDMNG-TZMCWYRMSA-N 339.414 4.363 0 1 EIAF COc1cc2cc(-c3cccc4ccccc34)c(=O)n(O)c2cc1OC 299825139 WPCCDNKXJKNTTN-UHFFFAOYSA-N 347.370 4.076 0 1 EIAF Cc1cccc(-c2ccccc2)c1-c1nc2cccc(C(N)=O)c2[nH]1 586878195 DSHVFMDATLSDGV-UHFFFAOYSA-N 327.387 4.304 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 586907534 BAMFLOFWSIUMNT-AMIZOPFISA-N 327.197 4.137 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H](C)Sc3ncccn3)nc2c1 586962703 VBNUSJVASRIWJR-SECBINFHSA-N 349.257 4.277 0 1 EIAF Cc1cnc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 586996737 TXKMVGWYDNMKQZ-UHFFFAOYSA-N 346.228 4.343 0 1 EIAF Clc1cnc(Cl)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 587037860 ZQFIFDHFPNGVLZ-VIFPVBQESA-N 340.235 4.183 0 1 EIAF COc1nccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149267 JYDMOCRVXBXGOP-QGZVFWFLSA-N 348.381 4.307 0 1 EIAF O=C(CCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)cc1 587164075 YRWNPPCVDJXBQO-UHFFFAOYSA-N 338.169 4.219 0 1 EIAF OCCc1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174055 DVNDWKDMZHSWIT-UHFFFAOYSA-N 329.762 4.039 0 1 EIAF COc1ccc(NC(C)(C)c2nc3cnc4ccccc4c3[nH]2)cc1 587201110 FSCAZTLXGOSKSJ-UHFFFAOYSA-N 332.407 4.467 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c3c(c1)CC(C)(C)O3)O2 587413600 SMXDNJHOHITCLU-SFHVURJKSA-N 337.419 4.306 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(F)c1OC)CC2=O 587466214 MMTDQHHGEXNARI-KRWDZBQOSA-N 348.345 4.338 0 1 EIAF O=C1C[C@@H](c2cn(-c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 587516744 VOMQGPYAIHQTHK-NRFANRHFSA-N 344.414 4.458 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2)N1 587818296 HSVQVANQHJQLQH-GTNSWQLSSA-N 334.232 4.406 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccsc2)N1 587853015 KHIZHSXSHPRWCG-PSLIRLAXSA-N 340.261 4.447 0 1 EIAF Cc1cccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874005 RVZTUUJCPULLSV-LBPRGKRZSA-N 338.338 4.211 0 1 EIAF COc1ccc(Nc2nc3c(F)cc(F)cc3c(O)c2C(C)=O)cc1 1857555675 HEZOZSXKFGPVNP-UHFFFAOYSA-N 344.317 4.173 0 1 EIAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2ccccc2)cs1 61927877 PWYQYBDVOKYJBI-KRWDZBQOSA-N 326.396 4.175 0 3 EIAF Clc1nc(-c2cccs2)c2ncn(Cc3ccccc3)c2n1 6581109 DBQHOROOVOCDLA-UHFFFAOYSA-N 326.812 4.257 0 1 EIAF O[C@H]1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c21 14946480 OMPBZSLBVKDSJL-FQEVSTJZSA-N 348.446 4.486 0 1 EIAF CNCCC[C@@H]1Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 28526674 BOPYYBXXVMRACX-OAHLLOKOSA-N 342.870 4.485 0 1 EIAF CC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 38317579 VFGSNLRSCYUGNT-ZDUSSCGKSA-N 334.721 4.330 0 1 EIAF CCCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 40712644 VZKOPMVAYWETQC-PZJWPPBQSA-N 325.500 4.199 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1ncccn1)c1ccccc1Cl 72103868 PSXHJQYXJSXTRR-KRWDZBQOSA-N 331.202 4.068 0 1 EIAF Fc1cccc(F)c1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 72107014 HMZKMRJTAHQVIW-HUUCEWRRSA-N 346.768 4.356 0 1 EIAF Cc1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)o1 73161898 NNKMXMSHLCGQPM-UHFFFAOYSA-N 340.404 4.109 0 1 EIAF CC(=O)Nc1cccc(Oc2cc(NCC3CCCCC3)ncn2)c1 82067732 ATVOGDWSDBMCDX-UHFFFAOYSA-N 340.427 4.220 0 1 EIAF Fc1cccc(F)c1-c1nnc2n1-c1cccnc1Nc1ccccc1-2 96173947 HKHIQHUKEJSNPY-UHFFFAOYSA-N 347.328 4.332 0 1 EIAF Cc1c(C(=O)O)oc2cccc(OCc3ccc4nsnc4c3)c12 98082979 CZCPERJVDUPGST-UHFFFAOYSA-N 340.360 4.023 0 1 EIAF Cc1cc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)no1 145259177 MLFYDRDYIAWWHT-UHFFFAOYSA-N 343.383 4.062 0 1 EIAF COC(=O)NCCN1c2ccccc2Sc2ccc(Cl)cc21 205534389 XQOSCHNUVJRBFX-UHFFFAOYSA-N 334.828 4.299 0 1 EIAF CC[C@H]1CN(C)CC[C@H]1CC[C@@H](O)c1ccnc2ccc(OC)cc12 238747943 RDFOTJWPILJKAI-GCKMJXCFSA-N 342.483 4.035 0 1 EIAF C[C@H]1NC[C@]23CC[C@H]4[C@H](CC=C5C[C@H](N(C)C)CC[C@]54C)[C@H]2CC[C@H]13 255259191 PHYSDIZFXRPRAH-QWPAUJBXSA-N 342.571 4.467 0 1 EIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 586906600 DHKBBBYKORSDMJ-ZETCQYMHSA-N 336.725 4.075 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cnc2[nH]1 587012106 OEKYMDWTJPDQMB-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)nc(Cl)cc2[nH]1 587070548 HQTOSFYHSHPHPT-UHFFFAOYSA-N 340.597 4.344 0 1 EIAF Oc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075930 KZPSEUFEKQBJTN-KRWDZBQOSA-N 327.815 4.259 0 1 EIAF FC(F)(F)OCc1nc2cc(Br)cc(Cl)c2[nH]1 587122322 BRAOBEKQLUAMES-UHFFFAOYSA-N 329.503 4.015 0 1 EIAF CSc1ccccc1C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587409215 HFTRDRKKTXHDFE-IBGZPJMESA-N 327.449 4.266 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CS[C@H](c4cccs4)C1)[C@@H](C2)C3=O 587450974 MLOIGWFDCKAPEG-QITLCBANSA-N 344.457 4.121 0 1 EIAF O=C1C[C@@](c2ccccc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587525793 OASJCDHTOHZFHU-JOCHJYFZSA-N 344.414 4.198 0 1 EIAF COc1cc(-c2[nH]c3cccc(F)c3c2CC(=O)O)ccc1Cl 587633210 VGYHEVWYQWADQV-UHFFFAOYSA-N 333.746 4.263 0 1 EIAF Clc1cnc2[nH]c(COC/C=C\c3ccccc3)nc2c1Cl 587780864 KQQOKJFURVKJKC-DAXSKMNVSA-N 334.206 4.495 0 1 EIAF CC(C)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813364 BWDRCYQJJOQEBF-QLJPJBMISA-N 326.253 4.384 0 1 EIAF O=C(Nc1c(F)cccc1F)n1nc2cc1Oc1ccc(F)cc1-2 587873901 LNLMLEWLPYFKNJ-UHFFFAOYSA-N 331.253 4.153 0 1 EIAF COc1ccc(/C=C/Cc2nc3ccc4ncccc4c3[nH]2)c(OC)c1 587929346 NUZWWBMENHMLAB-HWKANZROSA-N 345.402 4.384 0 1 EIAF CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)OCO4)CC(=O)c2ccccc2C1 587960446 LSOUSKHAXQANPO-NRFANRHFSA-N 348.402 4.060 0 1 EIAF CC[C@@H]1CCCC[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962767642 PUHTXYWDKYHHBZ-KMFMINBZSA-N 325.374 4.128 0 1 EIAF c1cncc(CN2CCc3sccc3[C@H]2c2cc3ncccc3o2)c1 962995801 GVYSBGYMVDJZCE-FQEVSTJZSA-N 347.443 4.432 0 1 EIAF CCCCCCc1ccc(C(=O)Nc2ccc3nc(=N)[nH]cc3c2)cc1 1857538920 TUCWDROMPVDJON-UHFFFAOYSA-N 348.450 4.417 0 1 EIAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356660921 VOZNRJDFORFHSI-ACLGETGGSA-N 346.467 4.135 0 1 EIAF COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(Cl)cc2C)n1 61926478 MRMUEVBJBHHNSZ-QGZVFWFLSA-N 328.799 4.129 0 3 EIAF CN(C)C[C@@H]1C[C@@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 13437260 YDCWINJIBUMKOY-IFXJQAMLSA-N 328.843 4.057 0 1 EIAF COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1 15257347 ZZAIPFIGEGQNHP-CQSZACIVSA-N 338.403 4.304 0 1 EIAF endogenous,in-man CC(C)N(CC[C@@]1(c2ccccc2)C[C@@H]2CCCCN2C1=O)C(C)C 26275659 NGTHSHJXZHWAHM-UNMCSNQZSA-N 342.527 4.218 0 1 EIAF CCOC1(OCC)[C@H]2c3cccc(C)c3[C@H]([n+]3ccccc32)C1(C)C 27517498 SMKLVXUPVDRMKI-PMACEKPBSA-N 338.471 4.126 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ccncc1 27625576 YEAFOWNMNHUOMH-CQSZACIVSA-N 325.220 4.167 0 1 EIAF Fc1ccc(SCCCN2CCN(c3cccc(F)c3)CC2)cc1 28886616 FTYTWPGXLKGKJY-UHFFFAOYSA-N 348.462 4.269 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801377 NNSRXNWUJQJDLG-QYJNHHJUSA-N 347.543 4.094 0 1 EIAF O=c1ccc2c(OCCOCc3ccccc3)c3ccoc3cc2o1 35978866 PRFBIGZCKZSWSQ-UHFFFAOYSA-N 336.343 4.135 0 1 EIAF CC(C)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 40896073 UTZWFPUPRXYMFK-UHFFFAOYSA-N 335.407 4.133 0 1 EIAF c1ccc(Cc2cn(C[C@H]3Cc4c(ccc5ccccc45)O3)nn2)cc1 45283887 ZTEPFRYEVXGWRK-LJQANCHMSA-N 341.414 4.026 0 1 EIAF O=C(c1nc(-c2ccccc2Cl)c2ccccc2n1)N1CCCC1 84689938 RUTSKTSAOHFONO-UHFFFAOYSA-N 337.810 4.186 0 1 EIAF Cc1ccc(CN2CC[C@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)o1 96070691 KIMRVDLXSURLNC-JCGIZDLHSA-N 344.480 4.274 0 1 EIAF CC(C)n1nc2c(c1C(=O)NCc1ccc(C(C)(C)C)cc1)CCC2 103187714 RONKDMJBGYFLIA-UHFFFAOYSA-N 339.483 4.180 0 1 EIAF CC(=O)N(C(C)=O)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1 103269990 NXZYRCIKYUKVDG-UHFFFAOYSA-N 344.754 4.154 0 1 EIAF Cc1ccc(OCC(=O)N(Cc2cccs2)c2nccs2)cc1 143723004 ZPRCVRCDINKUGZ-UHFFFAOYSA-N 344.461 4.125 0 1 EIAF FC(F)(F)c1cccc(N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 169294126 FIAOAIAXJRLEKI-XHSDSOJGSA-N 336.401 4.040 0 1 EIAF Nc1ncnc2c1sc1ncc(-c3ccc(F)cc3Cl)cc12 299868187 RDQLUYGIOULCSF-UHFFFAOYSA-N 330.775 4.281 0 1 EIAF C[C@H](Sc1ncccn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586963042 XKQWYBIGKPCEDX-ZETCQYMHSA-N 342.321 4.364 0 1 EIAF C[C@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2C1 587034816 ZHKDOJQOQKDKJM-JTQLQIEISA-N 337.448 4.301 0 1 EIAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3csc4nccn34)nc2c1 587040831 RQCVRNUFEREZFG-UHFFFAOYSA-N 340.305 4.021 0 1 EIAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2ncc[nH]c-2n1 587040870 TUHQCUZBTPYOJL-UHFFFAOYSA-N 345.431 4.150 0 1 EIAF COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc(Cl)c1O 587046423 TXOVFNYYXYKSKK-UHFFFAOYSA-N 339.782 4.454 0 1 EIAF Cc1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c(C)n1 587135352 XLRVYMOTCXBJPD-ONEGZZNKSA-N 339.267 4.441 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 587233440 PDJGOSBFEKIZDR-JOYOIKCWSA-N 337.370 4.002 0 1 EIAF Nc1cccc(C(=O)O)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587251067 XKUNGEDBWAAZCG-UHFFFAOYSA-N 345.358 4.303 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1nccs1)[C@@H](C2)C3=O 587454376 WTTXFCFCSOEUPL-HNAYVOBHSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC1CCCCC1)(C(=O)O)CC2=O 587490347 RMLGIFFEKMPCRQ-HXUWFJFHSA-N 346.423 4.104 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCC3(CCOCC3)CC1)CC2=O 587493667 UXHJZNXQPVGTDQ-UHFFFAOYSA-N 344.451 4.420 0 1 EIAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794926 WNDGSDSKJQPGDB-QFYYESIMSA-N 337.236 4.157 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587829332 QHMFRWCDKPBBRF-VPTHRUTESA-N 338.220 4.422 0 1 EIAF O=C(CSc1ccccc1F)n1nc2cc1Oc1ccc(F)cc1-2 587874192 WPWLKBFYYOQYIG-UHFFFAOYSA-N 344.342 4.367 0 1 EIAF O=C(NCCc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1 653856854 PGAVLLIWQZIHIC-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF O=C(CCC1CCCCC1)Nc1ncc(Cc2ccncc2)s1 1857642936 PGMPZTGEHYRCCG-UHFFFAOYSA-N 329.469 4.428 0 1 EIAF Cc1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1 6915225 SXOWVPXAZFDWGA-UHFFFAOYSA-N 335.428 4.480 0 1 EIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)[C@@H](C)C2 14726810 HGBHJZOMIICOBK-BYVOGVQKSA-N 342.435 4.378 0 1 EIAF biogenic C[C@@H](Oc1ccc(Oc2ccc3ccc(F)cc3n2)cc1)C(=O)O 26840136 AVRDZUXPBKGOFR-LLVKDONJSA-N 327.311 4.018 0 1 EIAF O=C1CCC2=C(CCN(CCc3ccccc3)C2)N1c1ccccc1 28261385 DVYUDWQMKIPPOD-UHFFFAOYSA-N 332.447 4.016 0 1 EIAF Cc1ccc(SCCCN2CCN(c3ccc(F)cc3)CC2)cc1 28886679 RYADEAWSKPPNJY-UHFFFAOYSA-N 344.499 4.439 0 1 EIAF CC(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 40834498 HXGRLHIMYKDBTK-UHFFFAOYSA-N 326.227 4.159 0 1 EIAF C[C@H]1CCCN(CCCOCCCOc2ccc(Cl)cc2)C1 40916807 YKJVHLDFPGYUPD-INIZCTEOSA-N 325.880 4.248 0 1 EIAF S=C(Nc1ccccc1)N1NC2=C(CCCC2)[C@H]1c1ccco1 45340218 KFJULWOMXXXCAC-KRWDZBQOSA-N 325.437 4.366 0 1 EIAF O=C(CCCCc1cc(-c2ccccc2O)no1)Nc1ccccc1 64479752 DGJSNPIOBRAJFI-UHFFFAOYSA-N 336.391 4.399 0 1 EIAF CCN(CC)CCC[C@@H](C)NCc1coc(-c2ccc(F)cc2)n1 72103116 TYTDAENDAGPTJX-OAHLLOKOSA-N 333.451 4.081 0 1 EIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1c(F)cccc1n2CCF 73198880 SXUZXNFBYGVZCD-CYBMUJFWSA-N 334.410 4.038 0 1 EIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCc2ncsc21 211887272 ZYYPYPOILCSKFS-SNVBAGLBSA-N 341.263 4.105 0 1 EIAF Cc1cc(C)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 586984187 OECWCNQLHBBALJ-CQSZACIVSA-N 344.256 4.185 0 1 EIAF Cc1cc(F)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 587109306 LUEDTZKFYHOCJE-UHFFFAOYSA-N 338.260 4.394 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(Br)c2[nH]1 587162926 HFWFRWLVVACSPZ-HNNXBMFYSA-N 348.219 4.116 0 1 EIAF CC(C)(C)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2n1 587177803 AKYZVILAMHPXBM-UHFFFAOYSA-N 349.207 4.219 0 1 EIAF CC(C)[C@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587197318 FBFZDLFOFLJIFV-GFCCVEGCSA-N 338.839 4.175 0 1 EIAF CCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587379097 SKJXJIBGJFXLAZ-KRWDZBQOSA-N 331.799 4.336 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1cccnc1)O2 587393969 CGXNBMOWMBEBAK-HXUWFJFHSA-N 346.386 4.471 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c4ccccc4c31)O2 587395743 HGYDJXJTCGDNSG-NRFANRHFSA-N 332.403 4.256 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)cc1)CC2=O 587467686 GHPSTQODYCQJPU-LJQANCHMSA-N 325.408 4.117 0 1 EIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C(C)(C)C)CC2=O 587471101 ZENMSWXUJQJHLO-SGWGQVFISA-N 331.456 4.170 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(O)cc31)CC2=O 587479904 KBUZEOQGAGXJOO-OAQYLSRUSA-N 338.403 4.247 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]ccc1Cl 587546180 IXHUQTRGFXUKKG-KSSFIOAISA-N 341.750 4.077 0 1 EIAF O=C1COc2cc3[nH]c(/C=C/c4cccc5ccccc45)nc3cc2N1 587970075 YHLNWZAFOOEDOY-CMDGGOBGSA-N 341.370 4.217 0 1 EIAF Cc1cc2c(cc1F)[C@@]1(CCCOc3cc4c(cc31)CCC4)NCC2 962369634 ADBJKZMDPBJXHZ-JOCHJYFZSA-N 337.438 4.185 0 1 EIAF CC[C@@H]1CCCC[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962767639 PUHTXYWDKYHHBZ-FRFSOERESA-N 325.374 4.128 0 1 EIAF O=C(Nc1cc2nc(-c3c(Cl)cccc3Cl)[nH]c2cn1)C1CC1 1857628274 UZIYSXSDZNNLDO-UHFFFAOYSA-N 347.205 4.280 0 1 EIAF NCc1ccc(-n2cnc3ccc(-c4ccnc5[nH]ccc45)cc32)cc1 1857647261 DFWSFSFNBJWHKD-UHFFFAOYSA-N 339.402 4.028 0 1 EIAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)cc1O 2356584649 NCDUCYPQLGABJF-MWRFHTASSA-N 342.391 4.214 0 1 EIAF O=[P@]1(Oc2ccccc2)CC=C[C@H](COCc2ccccc2)O1 13661059 OQNLMWTUDJNHDX-JPYJTQIMSA-N 330.320 4.430 0 3 EIAF COc1cccc(-c2c[nH]c([C@H](O)c3ccc(Cl)c(Cl)c3)n2)c1 61903764 JVTLMVDCGKPVHO-MRXNPFEDSA-N 349.217 4.474 0 3 EIAF Cc1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13736905 CSOOAFUQMXDQNY-UHFFFAOYSA-N 330.383 4.132 0 1 EIAF CC(C)Nc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961282 RRBBBSFEDDLCLG-UHFFFAOYSA-N 337.358 4.011 0 1 EIAF CNC1=Nc2ncccc2C(c2cccs2)=N[C@@H]1c1cccs1 35930327 JBRNKNLCAPYPAD-OAHLLOKOSA-N 338.461 4.046 0 1 EIAF COc1ccc([C@H]2C[C@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 45298381 VPKCLHWPSFNHSU-HUUCEWRRSA-N 342.826 4.224 0 1 EIAF Cc1cn(-c2csc(Nc3ccc(Br)cc3)n2)c(C)n1 87664145 RALKDKQEMMLMLR-UHFFFAOYSA-N 349.257 4.452 0 1 EIAF COc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)nc1 95872099 PYGWYHVJYIKAQL-UHFFFAOYSA-N 333.800 4.086 0 1 EIAF C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@@]1(C)CCN2CC1CCC1 137587826 DARNEFFTPDYZKR-TUIFFPIZSA-N 341.524 4.203 0 1 EIAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2C(C)(C)C)n1)c1ccccc1 142053318 OWXRRGKRRBALMW-UKRRQHHQSA-N 340.427 4.021 0 1 EIAF Cc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586888685 XEDNRZJQJUKOJR-WOPDTQHZSA-N 345.240 4.273 0 1 EIAF CC[C@@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1 586889591 MHUZOLAJWQDDGD-OQPBUACISA-N 326.181 4.071 0 1 EIAF Cc1c(-c2nc3cc(OC(C)C)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905271 ISTJDEQFBSQKKZ-OAHLLOKOSA-N 326.396 4.288 0 1 EIAF Cc1ccc(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1 586963545 MMHHKCGZMXGJAO-UHFFFAOYSA-N 338.358 4.232 0 1 EIAF Fc1c(F)c(F)c2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1F 587084685 QYBNWMKRMUVPRK-UHFFFAOYSA-N 336.075 4.488 0 1 EIAF FC(F)(F)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 587113672 RTXGMEYSXQJIIY-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccnc3[nH]2)c1 587198693 PZQKNHZGFYLRQQ-UHFFFAOYSA-N 338.411 4.305 0 1 EIAF Clc1cc(-n2cncn2)ccc1-c1cc2c3c(cccc3n1)CC2 587209038 GSDAAENGGDMIDW-UHFFFAOYSA-N 332.794 4.235 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCC3)Oc3ccccc31)O2 587406914 FNYDRQAPJNHAGA-OAQYLSRUSA-N 335.403 4.143 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1F)[C@@H](C2)C3=O 587425602 FTEGWHLLIIRVLB-QKKBWIMNSA-N 349.361 4.114 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3cc(C)ccn13)CC2=O 587489362 LHAGPIGMPMLCET-GOSISDBHSA-N 336.391 4.007 0 1 EIAF Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614950 VYCQKDBFRYDHHS-APWZRJJASA-N 338.384 4.465 0 1 EIAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 587634871 AFUBVJFKDKWKTB-NSHDSACASA-N 336.407 4.082 0 1 EIAF COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1F 587926755 OYPKYBXCCZPSSX-LLVKDONJSA-N 344.386 4.074 0 1 EIAF COc1cc2c(cc1OC)[C@H]([C@H]1CCc3ccccc31)N(C)[C@H](C)C2 962617181 BTGXDYPWTYLCIF-GHNFSYLKSA-N 337.463 4.351 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@H](C[C@H]32)[C@]5(C)C4)[C@]1(C)CO 2356549693 IIFAULFSLBRVHS-LGHDIGCESA-N 346.511 4.179 0 1 EIAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cccc(F)c2)cs1 61906884 IQBXZKDUFKYVEM-QGZVFWFLSA-N 344.386 4.314 0 3 EIAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 2483815 SUQSBZWVXLUDDW-UHFFFAOYSA-N 344.455 4.139 0 1 EIAF COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 6066904 GMXMKSFJQLFOSO-SEEPXDQQSA-N 344.407 4.200 0 1 EIAF endogenous,in-man O[C@@H]1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c21 14946479 OMPBZSLBVKDSJL-HXUWFJFHSA-N 348.446 4.486 0 1 EIAF C=C=C(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954227 NHYUUHSCKIXBNM-LBPRGKRZSA-N 337.128 4.351 0 1 EIAF CCC(CC)OC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C 36271126 SSMWNQCHCRSYNE-LMCOJAPRSA-N 329.484 4.293 0 1 EIAF Oc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1 40401636 LYFVGQPLRDLNCA-UHFFFAOYSA-N 332.285 4.007 0 1 EIAF CCO[C@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O 40952198 OITZSTNPUSTLET-LJQANCHMSA-N 337.375 4.041 0 1 EIAF Fc1cccc(CN[C@H]2CCCC[C@@H]2NCc2cccc(F)c2)c1 66100623 FMMFCVLGNDDXKS-PMACEKPBSA-N 330.422 4.155 0 1 EIAF Cc1ccc(-n2ncc(Cl)c(Oc3ccc(F)cc3F)c2=O)cc1 66148245 LSHVPYYQPZKOLY-UHFFFAOYSA-N 348.736 4.265 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccccc1F 82152905 MVFPSRKBYRRAIP-STQMWFEESA-N 344.434 4.021 0 1 EIAF CNC(=O)/C=C/c1cc(OC)cc(-c2ccc3cc(OC)ccc3c2)c1 96174254 VIZKFHFQFJRUES-RUDMXATFSA-N 347.414 4.283 0 1 EIAF Nc1[nH]nc2c3cc(Br)ccc3nc-2c1-c1ccccc1 101009765 UQQXUCQIBKFHAY-UHFFFAOYSA-N 339.196 4.074 0 1 EIAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccs1 102732581 KGISTPCBSYXKIQ-JNINTMOKSA-N 332.429 4.011 0 1 EIAF CC(C(=O)OCCCN1CCCC1)(c1ccccc1)c1ccccc1 103290719 UUOWLLDLFVZCFV-UHFFFAOYSA-N 337.463 4.022 0 1 EIAF CC(C)O[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991359 JNVQJHHFPQMQGL-INIZCTEOSA-N 331.371 4.174 0 1 EIAF N[C@H](c1ccsc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587024882 GKFORTNDZUAISH-GOSISDBHSA-N 335.432 4.252 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587164381 UIXWWMWVWDVBIN-OAHLLOKOSA-N 337.320 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(F)F)c1)O2 587384305 ZZLHDVXTCWXRGI-SFHVURJKSA-N 333.334 4.059 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1ccc(C)cc1)[C@@H](C2)C3=O 587446967 JEOPANCKFAFZDM-FGSXEWAUSA-N 334.415 4.458 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc3ncccc13)CC2=O 587492948 YVVRHUDYQUDKLC-IBGZPJMESA-N 349.386 4.305 0 1 EIAF COc1ccc2c(c1)NCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587523075 GWJLXYLYGSPRDM-JOCHJYFZSA-N 349.430 4.250 0 1 EIAF C[C@@]1(C[C@@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587523474 JDKRKPPISKJUGA-YCRPNKLZSA-N 326.436 4.439 0 1 EIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cn1cncn1 587627553 BXSKFBXNSPGCRT-UHFFFAOYSA-N 348.250 4.154 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587928098 WLJKWQSZSZKMDH-JTQLQIEISA-N 349.793 4.310 0 1 EIAF COC(=O)c1ccc2nc(/C=C(/C)C3CCCCC3)[nH]c2c1OC 587967564 LCNVFKKLQAFVQA-QXMHVHEDSA-N 328.412 4.342 0 1 EIAF Cc1cc(F)ccc1N1CCC2(CC1)NCCc1c2sc(C)c1C 963030909 SEROFZWZYIPKSZ-UHFFFAOYSA-N 344.499 4.454 0 1 EIAF C[C@]1([C@@H](O)c2cccc(Cl)c2)c2c(F)cccc2C[C@H]2CCCN21 963117581 XCEFZYLJSFJEES-LSTHTHJFSA-N 345.845 4.448 0 1 EIAF Cc1cc(C(=O)O)c2c(C(C)(C)C)nn(-c3cccc(Cl)c3)c2n1 1857551011 GXMCPYWAMNXPCE-UHFFFAOYSA-N 343.814 4.378 0 1 EIAF CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356738559 LDIFWCUQQYZOLG-PQXIZAHBSA-N 346.511 4.020 0 1 EIAF COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 11612302 NPIJXUGEZHABCE-BJBXXJATSA-N 345.489 4.097 0 1 EIAF Cc1nc2c(-c3cccc(O)c3)c(-c3ccc(O)cc3)nn2c(C)c1C 13585016 YLYYVXHGRIYZKD-UHFFFAOYSA-N 345.402 4.400 0 1 EIAF CC[C@@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC 14824899 RNCWKUCWPBNWOH-FBQLRBQFSA-N 333.516 4.292 0 1 EIAF CC(C)(C)c1cnc(CSc2cnc(Nc3ccncn3)s2)o1 14945087 ZKEDVROWQXMVGQ-UHFFFAOYSA-N 347.469 4.255 0 1 EIAF CCCc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12 40915814 HBALEKSMZCEUCV-UHFFFAOYSA-N 349.463 4.379 0 1 EIAF O=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccccc1 58582834 DHUJYJDCDQRQEP-UHFFFAOYSA-N 340.814 4.122 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085385 VFDKBDJLCWVYMX-UHFFFAOYSA-N 341.729 4.269 0 1 EIAF CC(C)(C)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2n1 587093313 ZYAGUYSCNHQJIQ-UHFFFAOYSA-N 338.333 4.405 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(C)o1)(C1CCCC1)[C@@H](C2)C3=O 587456214 TUYPUABVTHQKOB-HRAATJIYSA-N 338.403 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(N)cc31)CC2=O 587472838 NEROOJBMBGFIPY-OAQYLSRUSA-N 337.419 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(O)cc1)CC2=O 587480879 LKZRQHQGPGIAJJ-HXUWFJFHSA-N 326.392 4.321 0 1 EIAF CC(C)O[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587524582 OUUSOPMNUZIIML-NQIIRXRSSA-N 328.452 4.493 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccccc1 587870348 FJPVJSXBYHGURS-UHFFFAOYSA-N 338.382 4.361 0 1 EIAF Clc1ccc(OCc2cn(Cc3cccc(Cl)c3)nn2)cc1 653813146 DTPIZVVEMLNNFK-UHFFFAOYSA-N 334.206 4.212 0 1 EIAF COC(=O)[C@]12CC[C@@]3(C)CC=C(CO)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C 653893488 ZTOZWWMYTUGRJO-QBVCYTKMSA-N 332.484 4.123 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3[nH]cc(C=O)c3c2)N1 962951507 OBKMDIVEIUWYFT-YCRPNKLZSA-N 343.430 4.475 0 1 EIAF CCO/C=C\[C@]1(C(F)(F)F)c2ccc(F)cc2C[C@@H]2CCCN21 963097231 FVYOKHDPSVAORU-CMWWXKBXSA-N 329.337 4.154 0 1 EIAF C[C@@H](c1ccccc1)[N@@]1O[C@]12CC[C@@]1(C)[C@H](CCCC13OCCO3)C2 1857626463 XENZARRASDXGFQ-VXRSCVTCSA-N 343.467 4.425 0 1 EIAF CC=Cc1cc(C)ccc1[C@H](C)[C@@H](O)[C@@H](C)c1cc(O)c(C)c(=O)o1 2356347752 YGJPBGVCODIPCC-ZQGRQUNCSA-N 342.435 4.263 0 1 EIAF CCCC=CCC[C@@H](O)CC[C@H](O)CCCCCCCC(=O)O 2356514929 RQJUILPBCUMSNT-QZTJIDSGSA-N 328.493 4.440 0 1 EIAF COc1ccc(C=CC(=O)N2CCCCC2)c(OC)c1CC=C(C)C 2356665754 DIHCUOAXOFINKK-UHFFFAOYSA-N 343.467 4.238 0 1 EIAF COC(=O)N[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C 36388071 BGGWAHQYWYNMLM-RCDSDNGVSA-N 349.515 4.379 0 3 EIAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)C1CCCCC1 96018941 SPLHVWBDRJDJRN-CKNGIZQFSA-N 325.452 4.389 0 3 EIAF CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccncc2)n1 13474630 FZAUNVRSNYGSRM-UHFFFAOYSA-N 335.411 4.209 0 1 EIAF c1ccc(Cc2ccc(OCCn3ccc4ncnc-4c3)cc2)cc1 13488419 WQQHDNYIFNAYIU-UHFFFAOYSA-N 329.403 4.053 0 1 EIAF C=Cc1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1O 13797116 BAKDXMMCKCBAPQ-UHFFFAOYSA-N 345.446 4.002 0 1 EIAF COC(=O)[C@@H](C)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 14588289 YWRLUOURIMRHED-ZSEKCTLFSA-N 344.451 4.491 0 1 EIAF biogenic Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1 34043207 LXVBELDBJGYFEM-UHFFFAOYSA-N 344.783 4.374 0 1 EIAF C=CC(=O)NCC[C@H]1C[C@@H](c2ccccc2)Cc2ccc(OC)cc21 40949343 IWXZDJPJSBPQPA-OALUTQOASA-N 335.447 4.201 0 1 EIAF COc1cc2c(cc1O)C[C@H](C)[C@@H](C)[C@H]2c1ccc(OC)c(OC)c1 43067667 PLNZSVOTOMAFQW-QRQYBIJMSA-N 342.435 4.378 0 1 EIAF biogenic CN1CCC[C@@H]1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 45300878 CHXGLJOIUDBPTI-LJQANCHMSA-N 333.431 4.331 0 1 EIAF CCCCC1=C[C@H](C2=NO[C@@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 49766314 QJCLVHYTRRNFQZ-GDBMZVCRSA-N 346.814 4.078 0 1 EIAF CSc1nn(-c2ccc(C)cc2)c2cc(C3=CCNCC3)ccc12 72178276 SESDCSYISZDSGQ-UHFFFAOYSA-N 335.476 4.433 0 1 EIAF CCN(CC)CCCOC(=O)[C@]1(c2ccccc2)C[C@@H]2CC[C@@H]1C2 100191012 BDNMABJZSXTKAQ-QFUCXCTJSA-N 329.484 4.020 0 1 EIAF in-man CCOC(=O)c1cnn(-c2ccc3ccccc3n2)c1-c1ccccc1 103201221 ZSTPMVNSYBFTDZ-UHFFFAOYSA-N 343.386 4.264 0 1 EIAF c1ccc(Nc2ccc(Oc3nccnc3-c3ccncc3)cc2)nc1 148188848 RFGOJFDMXXDVHC-UHFFFAOYSA-N 341.374 4.470 0 1 EIAF CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CCC(=O)O)[C@H]1N35 211981940 WONKRVWAUGXLFM-XDMKCASTSA-N 331.500 4.309 0 1 EIAF O=C1NCCc2[nH]c(-c3cccc4ccc(-c5ccccc5)nc34)cc21 222399730 TWESPFOMZINAFH-UHFFFAOYSA-N 339.398 4.183 0 1 EIAF Cn1c(SCCC(F)=C(F)F)nc(-c2ccccc2)cc1=O 299856562 CTRNWYRWYIJFTO-UHFFFAOYSA-N 326.343 4.007 0 1 EIAF Cc1nn2c(-c3nc4ccc(F)cc4[nH]3)c(-c3ccccc3)nc2s1 473124763 WZGPQHGFIAUFJE-UHFFFAOYSA-N 349.394 4.449 0 1 EIAF CCc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1Br 586977658 OJHPLFCOZMLZMF-UHFFFAOYSA-N 345.196 4.253 0 1 EIAF Cc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Cl 587042216 JYKWMOFZLFJMND-ZDUSSCGKSA-N 337.876 4.145 0 1 EIAF Cc1ccc2c3c(c(CCC[C@@H](C)O)cnc13)-c1ccccc1C2=O 587100760 HYTAOQWDBDLFGT-CQSZACIVSA-N 331.415 4.458 0 1 EIAF Fc1cc(CCc2nc3cnc4ccccc4c3[nH]2)cc(F)c1F 587137994 AUHOOMCOPIAVJU-UHFFFAOYSA-N 327.309 4.314 0 1 EIAF CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)CC1=O 587207218 KKEAGMYLYKMLOP-UHFFFAOYSA-N 327.383 4.140 0 1 EIAF CC[C@]1(c2c(F)ccc(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 587382859 UXVUQDAVCIJKIT-GOSISDBHSA-N 335.325 4.265 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(-c3ccccc3)s1)O2 587414741 VJHRPGOHCFBPIV-INIZCTEOSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H]4CCCCO4)o1)[C@@H](C2)C3=O 587452110 DFVMBMZWPKDVSD-PJSUUKDQSA-N 340.375 4.019 0 1 EIAF O=Cc1cc(F)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503395 FADLIWMNSPNKGA-HNNXBMFYSA-N 330.380 4.285 0 1 EIAF CC(C)CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587514201 MMFIZLWTALOVHC-UHFFFAOYSA-N 341.495 4.411 0 1 EIAF C[C@@]1(c2ccc3nc[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523304 HVYIHNJYONFAIW-NRFANRHFSA-N 332.403 4.322 0 1 EIAF CC(C)[C@@H]1C[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536237 SLEYABMWKLVRJR-RYGJVYDSSA-N 328.452 4.350 0 1 EIAF Cc1ccc(O)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612469 WCSSDWHBJOVSHT-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF CC[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587772537 OFVBOKBZLOEZIX-DIFFPNOSSA-N 349.247 4.171 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1cc(F)ccc1OC(F)F)NCC2 962149601 XBBRSHFWYYWBJV-MRXNPFEDSA-N 325.305 4.110 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(-n2cncn2)cc1 963226255 HEYRHYADGNDOOI-VGOFRKELSA-N 346.478 4.187 0 1 EIAF Cn1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc2ccccc21 1857540763 IRLCLJTXTCCCSM-UHFFFAOYSA-N 327.449 4.309 0 1 EIAF CCCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1 1857632204 QRQQLAZEPCXNLF-UHFFFAOYSA-N 339.391 4.001 0 1 EIAF CC[C@H]1C[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@@H]4CCN(C2)[C@@H]13 2356787474 UYDUJNIYABBEKZ-KAWAHCECSA-N 340.467 4.014 0 1 EIAF Cc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 61902461 DERDAOGKBXNIOO-MRXNPFEDSA-N 332.325 4.486 0 3 EIAF O=C(O)CC[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 1620363 JEMZPXUMGHBIRW-IBGZPJMESA-N 334.419 4.132 0 1 EIAF Cc1ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c(C)c1 3188927 POWYVMCCHNZMGW-UHFFFAOYSA-N 328.256 4.308 0 1 EIAF biogenic CN(C)C[C@H]1C[C@H]2c3ccccc3Cc3ccc(Cl)cc3N2O1 13437082 JTLCTTWVUAIQHD-APWZRJJASA-N 328.843 4.057 0 1 EIAF CN1CCc2cc(Cl)c3[nH]c(S)nc3c2[C@@H](c2ccccc2)C1 13608545 PKVKNHBSBKIXLM-CYBMUJFWSA-N 343.883 4.125 0 1 EIAF COc1cc2c(cc1Br)CC[C@H]1[C@H](c3ccncc3)[C@@H]21 13741596 BKRNEVWSNKCMMT-AFAVFJNCSA-N 330.225 4.296 0 1 EIAF CC(C)N(CC[C@@]1(c2ccccc2)C[C@H]2CCCCN2C1=O)C(C)C 26275671 NGTHSHJXZHWAHM-IRLDBZIGSA-N 342.527 4.218 0 1 EIAF CCCN(CC1CC1)c1nc(-c2cccc3cc(OC)ccc23)n[nH]1 26846441 OSQYFPVYEUERQV-UHFFFAOYSA-N 336.439 4.260 0 1 EIAF COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(C(C)(C)C)n1C 28223788 FETIVRQJTSQCQU-UHFFFAOYSA-N 343.427 4.062 0 1 EIAF CCCNC/C=C(/c1ccc(Br)cc1)c1cccnc1 29315189 VZQDACWJFARSHJ-MFOYZWKCSA-N 331.257 4.275 0 1 EIAF O=C(Nc1ccc(Br)cc1)Oc1ccc2c(c1)CCCN2 35790263 ZYKRHHZXOXTSMO-UHFFFAOYSA-N 347.212 4.418 0 1 EIAF O=c1oc2ccccc2cc1-n1cc(-c2cccc3ccccc23)nn1 38223796 AGLGJOBEQUYRET-UHFFFAOYSA-N 339.354 4.194 0 1 EIAF COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1 63539723 LSLPDHNUWRDOGC-UHFFFAOYSA-N 348.381 4.385 0 1 EIAF CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2CC[C@@](C)(O)C(C)(C)C 169328614 CAIHTALZIAAKPE-CMCXCUNFSA-N 345.527 4.104 0 1 EIAF O=C(Nc1cc2ccc(-c3cccc4[nH]cnc34)cc2cn1)C1CC1 169700050 TVJLJOKHPBVMBF-UHFFFAOYSA-N 328.375 4.127 0 1 EIAF CC(C)c1cc(O)c2c(c1O)[C@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1 238750967 MCMQSPNBTJWIEO-CKNLXJGOSA-N 330.424 4.287 0 1 EIAF CN1Cc2ccccc2[C@H]2c3cc(O)c(Br)cc3CC[C@H]21 253688988 LGYJRJSIABNMNK-AEFFLSMTSA-N 344.252 4.047 0 1 EIAF Oc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1 586897575 GBIWORQCTZBUND-UHFFFAOYSA-N 330.343 4.331 0 1 EIAF O=C(O)c1cccnc1SCc1nc2cc3ccccc3cc2[nH]1 586969692 ZJWANCHZLBILCM-UHFFFAOYSA-N 335.388 4.102 0 1 EIAF CCO[C@H](C)c1nc(C)c(-c2nc3c(F)cnc(Cl)c3[nH]2)s1 587014757 PZAVASLYBSJRMA-SSDOTTSWSA-N 340.811 4.280 0 1 EIAF O=C(/C=C\c1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccc(F)cc1 587166437 CROXVPJKBSICBP-QXMHVHEDSA-N 335.382 4.233 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(O)c4ccsc4c1)[C@@H](C2)C3=O 587454524 YARDDDPVDWXJHV-ORAYPTAESA-N 338.384 4.104 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1c(C)n[nH]c1C)CC2=O 587482749 IZLUITLCXVGZEB-HXUWFJFHSA-N 342.439 4.345 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(C)=O)c1)CC2=O 587491761 YYXUWKRHYFOYAI-NRFANRHFSA-N 338.403 4.428 0 1 EIAF C[C@]1(c2ccnc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499060 KVHOVGRPXOXLAB-LJQANCHMSA-N 327.811 4.494 0 1 EIAF C[C@]1(c2ccc(F)c(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506044 OAMUVSSAOJZZSY-HXUWFJFHSA-N 325.383 4.167 0 1 EIAF CN(C)/C=C\[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513225 RDHCVVFECWRWHN-BIGNBACZSA-N 327.468 4.391 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529858 QQCSEJGNERMXEU-BULFRSBZSA-N 338.447 4.295 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccccc12 587602509 IHDVBLNRDQMCRK-KNQAVFIVSA-N 344.366 4.196 0 1 EIAF Cc1ccoc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587831469 XGJLANXIRVZGFJ-HWPZZCPQSA-N 338.220 4.287 0 1 EIAF CC(F)(F)c1ncncc1-c1nc2cc(F)c(F)cc2n1C1CC1 1857557935 ILRHWBVWUACWEM-UHFFFAOYSA-N 336.292 4.218 0 1 EIAF Cc1cc2nnn(CC(=O)c3ccc(Cl)c(Cl)c3)c2cc1C 1857571253 DBIGPUHAUQDDPM-UHFFFAOYSA-N 334.206 4.238 0 1 EIAF COC(=O)C1=CCCC(C)=C[C@H]2OCC(C)=C2C[C@@H](O)C(C)=CCC1 2356455298 OCECFDGDAVQDAG-WOJBJXKFSA-N 346.467 4.019 0 1 EIAF CCN(CCN(C)C)c1cc(-c2cccs2)nc2ccccc12 6384886 LMODAQKWDYRGOD-UHFFFAOYSA-N 325.481 4.351 0 1 EIAF C[C@H](c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2 28010312 PTKRTEFVBRMDQU-OAHLLOKOSA-N 335.426 4.286 0 1 EIAF CCOC(=O)Nc1cccc(C(=O)CSC(=S)SCC)c1 28709991 BLWAKUBNYXYXHV-UHFFFAOYSA-N 343.495 4.209 0 1 EIAF CSc1sc(C(=N)N)cc1-c1nc(Cc2ccccc2)cs1 28771047 NPCBXIKUSHWJQE-UHFFFAOYSA-N 345.518 4.468 0 1 EIAF COc1cc(-c2snnc2-c2ccc(F)cc2)cc(OC)c1OC 28820913 ZOCVOBMONOLWPP-UHFFFAOYSA-N 346.383 4.037 0 1 EIAF COc1cc2c(cc1OC)[C@H](CC(=O)Nc1cccc(Cl)c1)CC2 28826633 QAFJHLCIEWMCCH-ZDUSSCGKSA-N 345.826 4.416 0 1 EIAF CN(C)CCCn1ccc2ccc(NC(=N)c3cccs3)cc21 34806413 GSWFTSBRUQGJAA-UHFFFAOYSA-N 326.469 4.092 0 1 EIAF C=CC(=O)NCC[C@@H]1C[C@H](c2ccccc2)Cc2ccc(OC)cc21 40949337 IWXZDJPJSBPQPA-RTBURBONSA-N 335.447 4.201 0 1 EIAF CN[C@@H]1C=C[C@@H]([C@]23CC[C@@H](C)[C@@]4(CCC(C)=C4C2)C3(C)C)N2C[C@@H]12 85548286 QMXHHGQOIZSXQQ-XTRVJWCNSA-N 326.528 4.140 0 1 EIAF biogenic,in-vitro CC(=O)Nc1nc(C)c(-c2cnc(Nc3ccc(Cl)cc3)o2)s1 95558570 PPLANYBVXIWPNW-UHFFFAOYSA-N 348.815 4.462 0 1 EIAF Cn1cc(C(=O)N2CCC[C@H]3c4ccccc4C[C@@H]32)c2ccccc21 96169446 FJPXQVUVWACEMJ-UWJYYQICSA-N 330.431 4.123 0 1 EIAF CC(C)[C@H]1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 100857531 KZQZXGOXGSLNTB-IZAXUBKRSA-N 340.511 4.255 0 1 EIAF CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 103287387 LCWHOXGVDBIAJN-UHFFFAOYSA-N 333.848 4.330 0 1 EIAF O=C(CCCCCCc1nc(-c2ccccc2)no1)C(F)(F)F 141545053 RXPBVZUTMFSAEV-UHFFFAOYSA-N 326.318 4.361 0 1 EIAF Cc1ccc2c(c1)[C@@H](N=O)C(=O)N2Cc1cccc(C(F)(F)F)c1 169722221 MTHLUZKAMVJIRU-OAHLLOKOSA-N 334.297 4.368 0 1 EIAF Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(CC(=O)O)ccc12 205665861 FSJQUSZJKNWCRO-UHFFFAOYSA-N 349.217 4.327 0 1 EIAF Cc1cc([C@H]2CC[C@H](NC(=O)CCc3ccccc3)CC2)ccc1O 253654764 DUEYCZGJJXPXIC-KESTWPANSA-N 337.463 4.476 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@H]3Cc4ccccc4S3)nc12 587041340 BIDNAPYBBDOHDS-GFCCVEGCSA-N 346.253 4.418 0 1 EIAF CCc1cc(OCc2nc3cccc(C(=O)O)c3[nH]2)ccc1Cl 587052661 GNJKHKZTGIDVOA-UHFFFAOYSA-N 330.771 4.056 0 1 EIAF N=c1[nH]ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094817 IJNMEXOJGSKYPH-UHFFFAOYSA-N 346.234 4.075 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 587171588 PGBSILRWLAQYBW-SNVBAGLBSA-N 326.400 4.474 0 1 EIAF Fc1ncc(Br)cc1-c1nc2ccc3ncccc3c2[nH]1 587178129 QYBNODGPPVTDLF-UHFFFAOYSA-N 343.159 4.075 0 1 EIAF CC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208803 ZUKALSPWFNAZTB-ZDUSSCGKSA-N 327.383 4.455 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)c1 587233209 KRVBSRADESBOGG-UHFFFAOYSA-N 329.403 4.431 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 587233496 QVUVDLBVHWNICX-JQWIXIFHSA-N 337.370 4.002 0 1 EIAF COc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Cl 587239874 ZLZJVUPVVIRVMW-UHFFFAOYSA-N 343.814 4.023 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(Cl)cc(C)c1O)O2 587373506 DQGNXKNPOGUYOD-HNNXBMFYSA-N 331.799 4.260 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C)nc1)CC2=O 587486870 MXJWUYXCDZZTDA-HNNXBMFYSA-N 325.408 4.015 0 1 EIAF CCN[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511783 NMLNBRUFGSGTKP-WAIKUNEKSA-N 349.474 4.424 0 1 EIAF O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2cc(Cl)c(F)cc12 587628034 GNEFPNPKSURJDQ-UHFFFAOYSA-N 339.153 4.303 0 1 EIAF CCc1ccccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873275 FCYOFGWEUNRHOC-UHFFFAOYSA-N 338.338 4.077 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(F)cc(F)c2[nH]1 587934319 JHEYUOIXKDPHDZ-UHFFFAOYSA-N 326.346 4.422 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cc1 587935595 OZNQKJJDECYKNK-UHFFFAOYSA-N 344.414 4.440 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587937597 PUUPFTLHCBFOPG-BMLIUANNSA-N 346.814 4.071 0 1 EIAF O=C1COc2cc3[nH]c(/C=C\c4cccc5ccccc45)nc3cc2N1 587970077 YHLNWZAFOOEDOY-HJWRWDBZSA-N 341.370 4.217 0 1 EIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(CC1CCCCC1)C2 2356311441 RBCNSAJUMHPYCZ-GOSISDBHSA-N 328.456 4.106 0 1 EIAF C[C@@H]1C[C@H](O)[C@H](C)[C@]12CCC1=C2C[C@]2(C)CC[C@@](C)(C(=O)O)[C@@]12C 2356791710 IXCQNXRKDUGZGO-PMGRRZCFSA-N 332.484 4.401 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cocc3[C@@H](O)C[C@H]12 2356799079 TYPVNOMJAHIGID-VBQNUUEISA-N 332.440 4.282 0 1 EIAF CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 222520 MLVBPASJEIAGND-IRXDYDNUSA-N 339.830 4.035 0 1 EIAF Oc1noc(C2CCNCC2)c1Cc1ccc(-c2ccccc2)cc1 13473974 CNTCUAHBXUMOOM-UHFFFAOYSA-N 334.419 4.105 0 1 EIAF Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3ccccn3)n2)c1 13489752 BKTXUKGSIOCCOG-UHFFFAOYSA-N 342.406 4.085 0 1 EIAF CSc1cccc2c(-c3ccncn3)c(-c3ccc(F)cc3)nn12 34042675 FWOSJJUOEZEDIL-UHFFFAOYSA-N 336.395 4.319 0 1 EIAF Cc1cc(Cc2ccc(Cl)c(Oc3ccccc3)c2F)n[nH]c1=O 40918640 HDMIRGDBQUXVDA-UHFFFAOYSA-N 344.773 4.254 0 1 EIAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccs3)cc1)O2 101501159 LFBAGZZBQAENDV-OVWQWFNUSA-N 328.433 4.239 0 1 EIAF CC(C)c1ccc2c([Si](C)(C)C)c3c(nc2c1)-c1cccc(=O)n1C3 195363850 GXRSYMJNACRLRU-UHFFFAOYSA-N 348.522 4.094 0 1 EIAF CCc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586982765 PSAXWJLWNPASNJ-UHFFFAOYSA-N 329.197 4.367 0 1 EIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(F)cc3[nH]2)cs1 587019409 LMYGSWWBZJKVAY-UHFFFAOYSA-N 348.403 4.096 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc3ccc(Cl)cc13)O2 587380323 SRYXLNSQOHVEGG-GOSISDBHSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccccn3)c1)O2 587393727 KRQFULGDCGQTHF-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC 587401381 WJWYKAICABAWRO-SFHVURJKSA-N 341.407 4.081 0 1 EIAF CCOc1ccc(Cl)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417591 CKXWKFPQQKIRGQ-KUHUBIRLSA-N 344.794 4.236 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587423724 VQOVQZKFEYVFSR-DJJJIMSYSA-N 344.794 4.020 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccnc4)c1)[C@@H](C2)C3=O 587435022 AVVWKHVUVWYNEP-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF CCCOc1ccc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441061 JBFGGMOFCNOWQP-IERDGZPVSA-N 338.403 4.281 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(F)c1F)CC2=O 587465590 IVHVAVHPWAEBQM-HNNXBMFYSA-N 334.318 4.035 0 1 EIAF C[C@@]1(c2c[nH]c3nccc-3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526111 PSBZVIRCXPLZBD-NRFANRHFSA-N 332.403 4.274 0 1 EIAF CCn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756653 SSHIHALEYPSCAU-QLJPJBMISA-N 337.236 4.033 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587934744 FQEPXIOQOYMGCI-RNODOKPDSA-N 347.418 4.265 0 1 EIAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3CC=CC[C@H]3C)nc2c1 587967048 LDZXSYVGATWSTO-MWLCHTKSSA-N 349.228 4.182 0 1 EIAF CC[C@@H]1CCCC[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962767647 PUHTXYWDKYHHBZ-UNEWFSDZSA-N 325.374 4.128 0 1 EIAF Cc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)c2ccccc12 962915760 BNJFJNDAXRMPID-JOCHJYFZSA-N 333.479 4.414 0 1 EIAF COc1cc(-c2nccn2-c2ccc3cc[nH]c3c2)cc(OC)c1OC 1857555597 ZRGXWPWDTBKJKA-UHFFFAOYSA-N 349.390 4.046 0 1 EIAF Cn1cc(-c2cn3c(-c4ccc(C(C)(C)C)cc4)cnc3cn2)cn1 1857596174 QBJDBRCXYUIKFJ-UHFFFAOYSA-N 331.423 4.094 0 1 EIAF CO[C@]1(C)C[C@H](c2ccc(C)cc2)c2c(c3ccccc3oc2=O)O1 1857750129 RPOKSBKRVVZBBP-IERDGZPVSA-N 336.387 4.378 0 1 EIAF CC=C(C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@@H](C)CC=C2 2356457460 QCIYZQPUFWEBMV-LBPRGKRZSA-N 344.407 4.133 0 1 EIAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccco2)C1 8624183 IEZAEOHXOBBUAD-WOJBJXKFSA-N 347.462 4.343 0 1 EIAF biogenic Cc1cccc2c1n(C(C)C)c(=O)c1c(-c3ccc(F)cc3)ncn12 13758871 WEGAJSCPECVSOK-UHFFFAOYSA-N 335.382 4.345 0 1 EIAF CCO[C@@H](CCc1ccccc1)c1c(OC)cc(OC)c(OC)c1O 14652438 HUSKJGUGYVRMTB-HNNXBMFYSA-N 346.423 4.128 0 1 EIAF biogenic Oc1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1ccccc12 14685510 UFWGYBCLWCZEIL-UHFFFAOYSA-O 340.200 4.066 0 1 EIAF CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cccc2C)n1 27430930 ATMBQVWNGYMYOK-UHFFFAOYSA-N 325.460 4.167 0 1 EIAF CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3c(C)cccc32)C1(C)C 27442894 GZUWNHDNANLVKW-PMACEKPBSA-N 338.471 4.126 0 1 EIAF O=C(CCN1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1 27553485 DWIOWMNYVVEUMX-UHFFFAOYSA-N 329.390 4.417 0 1 EIAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccccc3)O2)cc1 28768168 CNTTWQOWWZEXEQ-RBUKOAKNSA-N 340.810 4.178 0 1 EIAF CC(C)Cc1ccc([C@H](C)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)cc1 29415643 UZRZFHJTHKHIRC-LATSOQNDSA-N 329.484 4.157 0 1 EIAF O=C(O)C1=Cc2cc(Cl)c(Cl)c(Cl)c2O[C@H]1C(F)(F)F 38695420 RHPWOEFSQBYIMW-SECBINFHSA-N 347.503 4.438 0 1 EIAF Cc1csc2c1ncn1c(-c3cccc(Br)c3)nnc21 82060599 GAYAAFOGELWACY-UHFFFAOYSA-N 345.225 4.077 0 1 EIAF Fc1ccc(-n2ncc3c(-c4cncc5ncccc45)ccnc32)cc1 165235488 UKRRLQNQNKOILD-UHFFFAOYSA-N 341.349 4.170 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@@H]1N2C 169367286 XDCKKLJZZNMBOS-ZSYWTGECSA-N 341.476 4.154 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169368995 QNMBJXHTULXJII-ZELOLHMESA-N 345.527 4.399 0 1 EIAF O[C@@H]1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586904284 SOWUIKFAEWVEIL-SMDDNHRTSA-N 336.288 4.290 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586911609 MDGTVNDJBUOJGB-AUUYWEPGSA-N 336.439 4.067 0 1 EIAF Fc1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1C(F)(F)F 587089333 AQEQZDMVRJSCST-UHFFFAOYSA-N 331.219 4.256 0 1 EIAF Cc1ccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1C(F)(F)F 587095725 SEJIBLGDQZRLRB-MRXNPFEDSA-N 348.328 4.205 0 1 EIAF CC(=O)NC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(C)CC1 587234572 PLJGZSUDRRYMDO-UHFFFAOYSA-N 340.254 4.411 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]cc(C)c31)CC2=O 587479918 AXELFIJOYPXVQP-FQEVSTJZSA-N 325.408 4.178 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1CC)CC2=O 587489064 MOYUCBCGRDZEOH-IBGZPJMESA-N 326.392 4.319 0 1 EIAF COc1cc(F)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506553 UCPNMUDEKYUUCK-LJQANCHMSA-N 326.367 4.420 0 1 EIAF Cc1c[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587790896 JZSIYHOMNVEYQV-FVMDXXJSSA-N 337.236 4.157 0 1 EIAF Cc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)c(C)c1 653666702 QDUZBINIANXGCJ-UHFFFAOYSA-N 344.418 4.331 0 1 EIAF CCn1c(C)cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1C 962625635 FJIQVQVAJSMPFG-ZUOKHONESA-N 342.483 4.108 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H]1CCN1 1857571589 KDUCRLNKTPIPLA-JOFXYRRGSA-N 329.528 4.288 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@H]5CC[C@H]6CC[C@@]5(C6)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356364580 ZDNSPOYRVSRVOI-PXLLTZOMSA-N 344.495 4.067 0 1 EIAF COc1cc2c(cc1O)CCc1cc(O)ccc1[C@H]2c1ccc(O)cc1 2356709086 OFYIVOGLJJQHRO-JOCHJYFZSA-N 348.398 4.091 0 1 EIAF CC(C)N1C(=O)COCc2cc(-c3cc(F)cc(Cl)c3)ccc21 74374841 DBIZSJNGEFOYMX-UHFFFAOYSA-N 333.790 4.418 0 3 EIAF O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)c(Cl)c1Cl 1616821 KFORIHBASFONEJ-UHFFFAOYSA-N 345.396 4.209 0 1 EIAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1 14957827 VRKRFTNPHNNRGS-JOCHJYFZSA-N 341.414 4.376 0 1 EIAF CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 27999195 CTHZICXYLKQMKI-KVUCQPOXSA-N 336.472 4.280 0 1 EIAF COC(=O)CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3 43013568 KVHRXVUUCNONJH-UHFFFAOYSA-N 347.414 4.332 0 1 EIAF CCSCCNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1 82161419 USRFEAMFISASLG-UHFFFAOYSA-N 327.375 4.327 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 194874481 JTVHQWNUCRXUJU-AZFOIECZSA-N 336.472 4.414 0 1 EIAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cncnc4[nH]3)c2)c1 587048484 BSKOOJPMQWPUFE-UHFFFAOYSA-N 334.766 4.153 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc12 587136133 KGFJGPSFGUGGFC-UHFFFAOYSA-N 348.809 4.485 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(=O)O)CC3 587205663 BLQNECFIXVUJOD-GFCCVEGCSA-N 343.382 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccccn1)O2 587384580 MWIPBSHBUKXRCI-NRFANRHFSA-N 348.377 4.020 0 1 EIAF COc1cccc([C@@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399486 KXVGIYYWRCWJMO-OAQYLSRUSA-N 339.435 4.493 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587452666 SMLUOLJWRQUXNK-IFXJQAMLSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(O)cccc31)CC2=O 587479614 IOVAEKOBCUOWIA-NRFANRHFSA-N 338.403 4.247 0 1 EIAF O=N[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587502930 GPDIICIJHXVOHU-CTNGQTDRSA-N 333.387 4.117 0 1 EIAF CC(=O)Nc1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532790 SQUXRHKFDZYRRZ-KRWDZBQOSA-N 341.432 4.292 0 1 EIAF O=C1C[C@@H]([C@@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 587535712 NMABYNMOQOWELK-UTKZUKDTSA-N 334.415 4.466 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C1CC1 587574928 CUIJNMKSCHLAED-WIYYLYMNSA-N 347.370 4.232 0 1 EIAF CC[C@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593791 MYBDWHBHZPHSJN-NGRMBUTOSA-N 340.375 4.053 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](C1CC1)C2 587601248 CJUDVAYCRXWZKI-DHUIEDIVSA-N 336.387 4.303 0 1 EIAF CCC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587813870 QFFZLRLIMRLHCE-PSLIRLAXSA-N 342.252 4.169 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2)N1 587815725 PDTHGMILCPQRFB-GTNSWQLSSA-N 334.232 4.386 0 1 EIAF Brc1cncc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951446 KZGLTPYJRUNFGO-UHFFFAOYSA-N 344.212 4.319 0 1 EIAF COc1ccc2c(C)c(-c3cn4nc(SC)sc4n3)oc2c1 653678283 TZRSKOQWYJAJLU-UHFFFAOYSA-N 331.422 4.243 0 1 EIAF Cc1c(F)ccc2c1[C@@](C)(c1ccc(O)cc1C(F)(F)F)NCC2 962148681 TWZQNVPAVUZKST-QGZVFWFLSA-N 339.332 4.268 0 1 EIAF CCCC[C@]1(c2ccco2)NCCc2cc3cccc(OC)c3nc21 963040309 VZRBNHDCFMDVSX-OAQYLSRUSA-N 336.435 4.416 0 1 EIAF Fc1cccc2c1NCC[C@]21c2c(F)cccc2C[C@H]2CCCN21 963111486 SCZMUDIRYKISQN-JLTOFOAXSA-N 326.390 4.045 0 1 EIAF CC(C)(C)SC[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1857743740 DOBQGPOTXBQEPS-QGZVFWFLSA-N 338.476 4.376 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@](C)(O)[C@]21C 2356562607 XYBAYFQGNADPLS-YZGWKJHDSA-N 330.424 4.172 0 1 EIAF CC(=O)OC[C@@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]3CC1)C2 2356663765 UZCNEKYYWBFMSI-FTMCFMMZSA-N 346.511 4.491 0 1 EIAF CC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(O)cc(C)c1C(=O)O 2356835869 KVBFDOJSIOUODO-UHFFFAOYSA-N 344.363 4.334 0 1 EIAF CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2ccccn2)C1 15075046 JVADTGNGCCZQCV-LJQANCHMSA-N 332.451 4.071 0 1 EIAF CC(=O)Nc1ccc(C(=O)O)c(Nc2cccc(C(F)(F)F)c2)c1 29133712 NCXZIMSKJCYJMB-UHFFFAOYSA-N 338.285 4.106 0 1 EIAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NCc2cccnc2)c1 40847278 BKNWSMJMCLWYIC-ZDUSSCGKSA-N 339.830 4.310 0 1 EIAF O=C(Nc1ccccc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 53299064 BFAFTEXTXVWPSX-BOPFTXTBSA-N 344.374 4.151 0 1 EIAF COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Br 64540338 GQTGHVZYYVBZHB-UHFFFAOYSA-N 344.208 4.275 0 1 EIAF CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1ccccc12 66136464 BXNOABVERIFQPY-UTKZUKDTSA-N 335.403 4.038 0 1 EIAF O=C(O)CCc1c[nH]c2c(-c3noc(C4CCCCC4)n3)cccc12 84617282 CJWITPXUSFUVSG-UHFFFAOYSA-N 339.395 4.283 0 1 EIAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](COCc2ccccc2)[C@H]2C[C@H]1CO2 100756656 NSSQPXZFZSRNSJ-ZNIFTXGVSA-N 344.451 4.056 0 1 EIAF O=Nc1cnc(Nc2cccc(CO)c2)nc1OCC1CCCCC1 103192012 IRXXTCIJUUOCGV-UHFFFAOYSA-N 342.399 4.070 0 1 EIAF FC(F)(F)Oc1cccc(-c2ccc3nnc(C(F)(F)F)n3c2)c1 114879441 HPZNFZIGZBHSAJ-UHFFFAOYSA-N 347.218 4.314 0 1 EIAF C/C(=C/CC(=O)O)CCC/C(C)=C/Cc1cc(C(=O)O)ccc1O 200120119 JJTONVAWZIGUCY-JFCLYLFASA-N 332.396 4.171 0 1 EIAF CC/C=C/CCOC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253693840 AEUZMXBITBLKGU-XZEGJFKKSA-N 336.472 4.354 0 1 EIAF Cc1cc(-c2nc3ncc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878199 AGMPKJICMFBKMI-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF O[C@@H]1C[C@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 586903249 OQXYNCKUVUWXDC-ZUZCIYMTSA-N 347.187 4.034 0 1 EIAF Cn1cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987241 LNSSIVXQEAYGCV-UHFFFAOYSA-N 326.355 4.157 0 1 EIAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023582 MPZZBOYEOFGHNF-UHFFFAOYSA-N 339.351 4.191 0 1 EIAF Clc1cc2nc(-c3csc4c3CCOC4)[nH]c2c(Cl)n1 587032508 XJNVMDXSURQWBA-UHFFFAOYSA-N 326.208 4.066 0 1 EIAF Cc1cc(F)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 587232714 AQSKVTSRLPIVCG-AAEUAGOBSA-N 333.407 4.171 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(C)cc(C)c3c1=O)O2 587407371 HPCPGECDAPFISA-KRWDZBQOSA-N 349.386 4.007 0 1 EIAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12 587634271 XFRCPWYPJCMWIX-UHFFFAOYSA-N 325.208 4.138 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@H](N)C(=O)O)c2c1 587642089 JFCNFXVCZAMSFY-VOJFVSQTSA-N 337.423 4.015 0 1 EIAF CCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587752724 FIDXOYJMXFUKPQ-QFYYESIMSA-N 337.236 4.033 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587771569 MKECTZOJKVSRSZ-DYZYQPBXSA-N 349.247 4.169 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587778480 NQSYWIFGRTVMED-UHFFFAOYSA-N 335.766 4.215 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 962961484 XGGVCFVXPYFWPA-ZTVIYSTHSA-N 336.479 4.457 0 1 EIAF O=C(O)c1cccc2c1CCN[C@@]21CCC[C@@H]1c1ccccc1Cl 963124468 QXQCRJWIUOPIKD-XLIONFOSSA-N 341.838 4.347 0 1 EIAF CCCO[C@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772656030 NXCXDWJNFKFGCO-KRWDZBQOSA-N 344.798 4.431 0 1 EIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC(C)C)c1 776224 NPIOEOWMPCZFGT-UHFFFAOYSA-N 330.428 4.176 0 1 EIAF CC(C)=CCc1c2c(c3oc(C)cc(=O)c3c1O)C=CC(C)(C)O2 13311228 JAXNUIDQCSTZDT-UHFFFAOYSA-N 326.392 4.500 0 1 EIAF biogenic c1ccc(Cc2ccc(OCCn3cnc4ccncc43)cc2)cc1 13488417 MDMHJPYAEOUPIP-UHFFFAOYSA-N 329.403 4.101 0 1 EIAF COc1ccc2c(c1)[C@H]1CN(C)[C@@H]2Cc2ccc(Br)cc21 13831951 MADYOGGTQRFFQO-ZWKOTPCHSA-N 344.252 4.132 0 1 EIAF CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C 15221153 MJGCVTXRSBGNOQ-URGABHJQSA-N 332.440 4.252 0 1 EIAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3C)nnc1-2 34281024 WXCVZXZNCSCEFF-UHFFFAOYSA-N 347.466 4.351 0 1 EIAF CCC[C@H](CC1(C(=O)Nc2ncccc2CC)CCCC1)C(=O)O 34803347 ACCFCBCLGRJMCS-OAHLLOKOSA-N 332.444 4.034 0 1 EIAF Cc1c(-c2ccnc(N)n2)sc2ccc([C@H](N)CC(C)C)cc12 49035470 NBFZFFNTBDLMKY-CQSZACIVSA-N 326.469 4.295 0 1 EIAF CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccccc3)n2)C1 82068758 BNROBVJNXWFWPI-MGPUTAFESA-N 341.455 4.258 0 1 EIAF O=C(O)C[C@H](CC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1 95573384 UJJPWLPMMGMPGZ-SFHVURJKSA-N 334.371 4.377 0 1 EIAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2ccccn2)CC1 96901652 QSLDTFSIHIFQFN-JOCHJYFZSA-N 344.458 4.155 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1C(=O)N[C@H]1CCCC[C@@H]1C 114426724 TXKPZTXKDZJITP-CABZTGNLSA-N 346.254 4.319 0 1 EIAF CN(C)C(=O)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1 299860294 IZOOABMVTBSYHI-UHFFFAOYSA-N 346.430 4.072 0 1 EIAF CCOc1ccc(OCCCCCC(=O)N2CCCC[C@H]2C)cc1 473145199 NQGBENGPUMGTAE-QGZVFWFLSA-N 333.472 4.426 0 1 EIAF Cc1ccc(-c2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1C 524225159 VRLYKEPIDWYJAI-UHFFFAOYSA-N 343.473 4.497 0 1 EIAF COc1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 586980568 APFKRAQBTGVHPL-UHFFFAOYSA-N 347.212 4.221 0 1 EIAF CCOc1ccccc1[C@@](N)(c1nc2cccc(C)c2[nH]1)C(F)(F)F 587093606 VTNJALKQQAQCKA-QGZVFWFLSA-N 349.356 4.035 0 1 EIAF Fc1cccc(C2(F)CC(c3nc4cc5c(cc4[nH]3)OCO5)C2)c1 587131414 GWYACKLLVXVSNQ-UHFFFAOYSA-N 328.318 4.173 0 1 EIAF CNc1c(F)cccc1-c1nc2cc(Br)c(F)cc2[nH]1 587135985 UPXIDESPSXUQLI-UHFFFAOYSA-N 338.155 4.312 0 1 EIAF CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1cc2c3c(cccc3n1)CC2 587211477 FPCZMZPRTGKTJI-QGZVFWFLSA-N 338.451 4.275 0 1 EIAF O=C(OCc1ccccc1)N1CCc2c(nc3cccc4c3c2CC4)C1 587211891 IVLGVSQKTGIMJL-UHFFFAOYSA-N 344.414 4.028 0 1 EIAF Cc1c(-c2cc3ccc(O)cc3oc2=O)nc2cccc3c2c1CC3 587216569 FXDQIMLXZIBAIN-UHFFFAOYSA-N 329.355 4.121 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1C1CCCCC1)O2 587392918 XNSBCPSMAAJJQV-SFHVURJKSA-N 339.439 4.065 0 1 EIAF COc1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 587566188 ZSQOSKHDVUIGJB-UHFFFAOYSA-N 326.396 4.185 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587963189 QCRMLOHDZYMODN-CQSZACIVSA-N 338.407 4.185 0 1 EIAF COc1ccc(C)c(N(C(C)=O)c2cn(C(C)=O)c3ccccc23)c1 653818632 KPYVKWGCNIGTJW-UHFFFAOYSA-N 336.391 4.303 0 1 EIAF CCC[C@]1(c2ccc(C)c(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900685 SJFQCVRMTMQRGH-GHTZIAJQSA-N 341.426 4.085 0 1 EIAF COc1c2c(cc3oc(=O)ccc13)O[C@@]1(C)C[C@@H](C=C(C)C)O[C@H]2C1 2356781592 IXOOJNHNRUDCIB-QROBEVECSA-N 342.391 4.139 0 1 EIAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1 61895792 PRXHPWWWZMEKLE-KRWDZBQOSA-N 335.350 4.483 0 3 EIAF C[C@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 427424 FALASDILZBJNJM-YOEHRIQHSA-N 332.762 4.249 0 1 EIAF CCP(=O)(CC)C(Cl)(Cl)[C@@H](O)C(Cl)(Cl)Cl 1644272 HIYAPNNBFMVKKG-YFKPBYRVSA-N 336.410 4.252 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CCO[C@@H]1O2 13609165 JZMKNXICJRCGJX-IEBWSBKVSA-N 325.364 4.002 0 1 EIAF O[C@@H](Cc1ccc(F)cc1)C1CCN(CCCc2ccccc2)CC1 13729994 NWHFTMRBTIYJST-QFIPXVFZSA-N 341.470 4.074 0 1 EIAF CNCC[C@H](Oc1cccc2c(OC)c(O)ccc12)c1cccs1 27096431 JIMSUICOCSIKLE-KRWDZBQOSA-N 343.448 4.345 0 1 EIAF CC(C)=C1OC(=O)N(c2cc(OC(C)C)c(Cl)cc2F)C1=O 34345192 YBWRFLLMAWRCAA-UHFFFAOYSA-N 327.739 4.043 0 1 EIAF O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1F 40864752 HGHOUESZYYUYKA-UHFFFAOYSA-N 345.424 4.075 0 1 EIAF CCCCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66097762 QPJNGVGIPYAOBJ-UHFFFAOYSA-N 330.881 4.224 0 1 EIAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)c1nc(-c2ccccc2)co1 84758856 JXDSWXXRALNWEU-JOCHJYFZSA-N 346.430 4.422 0 1 EIAF O=C(Nc1cccc(-c2nc3ncccc3o2)c1Cl)c1ccco1 96914421 SYNVOJUHRZMGCL-UHFFFAOYSA-N 339.738 4.389 0 1 EIAF CO[C@@H]1C=C(O)[C@H]2[C@@]34CC[C@H]5CCCC[C@H]5[C@]3(C)[C@](C)(CC4)[C@@]12O 103575494 OJVFKZLWBVUBSM-SNZCJMSHSA-N 332.484 4.211 0 1 EIAF biogenic,in-vitro CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 141446224 YUEVEZWXYBGVTF-NTQSFBDGSA-N 345.527 4.301 0 1 EIAF CC1=Nc2[nH]ncc2[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(F)cc1 169724248 AKKHFLXIVNXGTD-QZTJIDSGSA-N 348.381 4.042 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC(F)(F)C3 586987499 XIXDTGFJHJLQBA-UHFFFAOYSA-N 337.325 4.276 0 1 EIAF Cc1cc(Cl)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042314 RWCHRTCCNTUUPV-CVEARBPZSA-N 343.883 4.471 0 1 EIAF CC(C)Oc1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 587058337 UDXPPEYEBNANBG-HNNXBMFYSA-N 329.831 4.246 0 1 EIAF CCOC(=O)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587061959 MGBRBNOIIACRJZ-UHFFFAOYSA-N 329.787 4.005 0 1 EIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)cc2[nH]1 587111740 AUIAYHNREHYIHW-LBPRGKRZSA-N 341.283 4.102 0 1 EIAF Cc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1C 587117887 XKNGMUZAZLGZKB-UHFFFAOYSA-N 328.725 4.252 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)c2c1 587173919 AMRHVAKVIWEZEJ-UHFFFAOYSA-N 334.276 4.188 0 1 EIAF CCOc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587399364 JLJYCNDRXYKWPX-GOSISDBHSA-N 325.408 4.299 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(Cl)c1F)CC2=O 587467815 SPPMBNYYNXYVLR-AWEZNQCLSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c(O)c1)CC2=O 587490852 SCGJZEWUBKWDKJ-HXUWFJFHSA-N 326.392 4.239 0 1 EIAF O=C1C[C@H](COc2ccccc2F)Oc2c1ccc1c2CCCC1 587504025 LWHJWZNJRMLTKY-CQSZACIVSA-N 326.367 4.117 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2)N1 587730803 KVNVTHNUTFWTNH-JDNHERCYSA-N 338.195 4.351 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 587823897 SGZBECLOEVYXMO-VXDFRWNLSA-N 336.248 4.376 0 1 EIAF CC[C@@]1(Cc2nc3ccc(OC)cc3[nH]2)CC(=O)c2ccccc2C1 587959520 GBTOASNQWVTMDQ-NRFANRHFSA-N 334.419 4.340 0 1 EIAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356549222 VNYSSYRCGWBHLG-OALUTQOASA-N 336.472 4.158 0 1 EIAF C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc(F)cc2)=NO1 13478334 KIKXTTZQVNIEHU-SFHVURJKSA-N 341.317 4.055 0 3 EIAF c1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)nc2c1 13489849 FBBRTTSMECGKJX-UHFFFAOYSA-N 335.451 4.256 0 1 EIAF O=C(O)c1cc(C(=O)O)c2cccc(-c3cccc4ccccc34)c2n1 26378678 DEIBUZYRMGEOBW-UHFFFAOYSA-N 343.338 4.451 0 1 EIAF COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 27328783 YOBBUGFYHIXIAD-UHFFFAOYSA-N 344.366 4.240 0 1 EIAF O=C(O)[C@@H]1CC[C@@H]2CC(=C(c3ccccc3)c3ccccc3)CCN2C1 29328942 VAKLFDOSONDEFA-NHCUHLMSSA-N 347.458 4.448 0 1 EIAF Clc1ccc2[nH]c(-c3ccccc3OCCN3CCCC3)nc2c1 43013470 WVHCKCIIYCOKMA-UHFFFAOYSA-N 341.842 4.358 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccc1F 73200451 FDXYBUHAAJRZLW-FQEVSTJZSA-N 334.350 4.218 0 1 EIAF S=c1oc(-c2ccc3ccccc3n2)nn1CNc1ccccc1 95596725 QPWIUOUMTVTDSJ-UHFFFAOYSA-N 334.404 4.490 0 1 EIAF Clc1cccc(CC2(Cc3nnn[nH]3)C3CC4CC(C3)CC2C4)c1 103231605 OIINAVVSTZVZJY-UHFFFAOYSA-N 342.874 4.081 0 1 EIAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 238738807 VOZNRJDFORFHSI-QCKFJMSFSA-N 346.467 4.135 0 1 EIAF Cc1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)oc2c1[C@H](O)CCC2 586905310 KHHBUSLOBSCLFM-MRVPVSSYSA-N 338.194 4.203 0 1 EIAF Clc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c(Cl)n1 587017014 QVLNMLJIEYJTRS-QMMMGPOBSA-N 341.223 4.240 0 1 EIAF N=c1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c[nH]1 587049869 MRCAXWBIGBMVRW-UHFFFAOYSA-N 348.793 4.170 0 1 EIAF Oc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)c1 587053556 FKNCEVMBUCDUED-UHFFFAOYSA-N 328.677 4.488 0 1 EIAF Cc1c(-c2nc3cncc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075611 JLJSYFFHSBQQEQ-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF C[C@H](c1nc2ccc(C(=N)N)cc2[nH]1)c1ccccc1C(F)(F)F 587098617 RCHUWVBUNMQRPK-VIFPVBQESA-N 332.329 4.018 0 1 EIAF CNc1c(F)cccc1-c1nc2ccc(F)c(Br)c2[nH]1 587135625 KFUQSLYTAKFFRU-UHFFFAOYSA-N 338.155 4.312 0 1 EIAF Cc1nc2cccc3c2c(c1Cc1ccc(OC[C@H]2CO2)cc1)CC3 587215650 LAMVUQMGYTUPHR-SFHVURJKSA-N 331.415 4.010 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C3)c1 587365095 DWTUJIXNWCYJIA-UHFFFAOYSA-N 329.355 4.324 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(SC(F)F)cc1)[C@@H](C2)C3=O 587423960 MCASLMSAFWBNJN-SUMWQHHRSA-N 348.370 4.499 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1Nc1ccccc1)[C@@H](C2)C3=O 587427390 CLAVGIRZCJAOBO-LRXVAGHRSA-N 349.430 4.236 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O 587445163 ZQBWETPHMBIRFT-AVRDEDQJSA-N 346.382 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)cc1OC)CC2=O 587477726 ILROPVMXHMUWKK-IBGZPJMESA-N 326.392 4.368 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(C)=O)s1)CC2=O 587492139 AXXBTSSRZQOTKZ-OAHLLOKOSA-N 345.420 4.071 0 1 EIAF O=C(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)OCc1ccccc1 587781292 IDCQQBVZZXRREN-UHFFFAOYSA-N 335.190 4.156 0 1 EIAF COc1ccc(/C=C/Cc2nc3cc(F)cc(F)c3[nH]2)c(OC)c1 587929724 PCAMAHAFIHHCGZ-ONEGZZNKSA-N 330.334 4.114 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587955845 RBWORVMIKZSBBE-UHFFFAOYSA-N 338.407 4.185 0 1 EIAF CC(C)c1nc([C@@H]2NCCc3cc(Cl)ccc32)c2ccccn12 963389612 CKXKZTSBOREGSX-QGZVFWFLSA-N 325.843 4.346 0 1 EIAF Nc1ccc(-c2cc(N[C@H]3CCCCNC3)c3ccncc3c2)cc1 1911579564 AUOLGVUXOWUCQG-IBGZPJMESA-N 332.451 4.038 0 1 EIAF CC(C)c1ccc2c(c1)C(=O)C1(CCN(CCc3ccccc3)CC1)N2 1911583152 ZQHCFARCHNSHRW-UHFFFAOYSA-N 348.490 4.496 0 1 EIAF COC(=O)[C@@H](CC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1618979 KTTWMXBEEVXUSC-HNNXBMFYSA-N 346.386 4.179 0 1 EIAF CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1O)CC2=O 14819239 JJOUBYOHNYJCOU-IBGZPJMESA-N 340.375 4.019 0 1 EIAF biogenic,in-vivo CC(C)CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 14971006 UKBYGNGSGOXLFO-GOSISDBHSA-N 342.391 4.099 0 1 EIAF Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 15163066 FZBFKPLJBKXMHI-RCBQFDQVSA-N 336.501 4.190 0 1 EIAF O=c1[nH]c(/C=C/c2ccccc2)nc2cc(N3CCCCC3)c(F)cc12 29466297 YDZKQSVLRIYUDT-MDZDMXLPSA-N 349.409 4.223 0 1 EIAF NCCCOc1ccc(CNC(c2ccccc2)c2ccccc2)cc1 43078608 GLGCMTZASFNBQS-UHFFFAOYSA-N 346.474 4.293 0 1 EIAF O=C(Nc1ccccc1)N1OC[C@@H]2CSc3ccc(F)cc3[C@@H]21 62225389 IAJYBRMEGBQDPD-BDJLRTHQSA-N 330.384 4.068 0 1 EIAF C[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 72118901 YTGZLSKWVMTXBW-JTQLQIEISA-N 337.320 4.262 0 1 EIAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccccc3)s2)c1 82083117 BYWXCTYGKZNSPT-INIZCTEOSA-N 325.437 4.487 0 1 EIAF CCCCCNc1ncnc2c1nc(C1CCCCC1)n2CCOC 82186499 VQCHYRCAIXXFMM-UHFFFAOYSA-N 345.491 4.123 0 1 EIAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2ccccn2)CC1 96901651 QSLDTFSIHIFQFN-QFIPXVFZSA-N 344.458 4.155 0 1 EIAF O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NC1CCCC1 100555673 ZPBBYWARRDVCMA-SCQRFTTHSA-N 340.305 4.169 0 1 EIAF O=C([C@H]1CCCc2c1c1ccccc1n2CC[18F])N1CCCCC1 102894544 MCKAREGHLPTICA-DLGGVWGKSA-N 327.434 4.043 0 1 EIAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccncc1 104027598 RIYRUWPKIUAYMY-FQEVSTJZSA-N 333.391 4.258 0 1 EIAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2C(C)(C)C)n1)c1ccccc1 142051835 OWXRRGKRRBALMW-DZGCQCFKSA-N 340.427 4.021 0 1 EIAF COc1cccc(CNC(=O)Nc2ccc(-c3ccncc3)cc2)c1 142118736 CROXCALJUWWTLQ-UHFFFAOYSA-N 333.391 4.079 0 1 EIAF COc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144664691 GNTKDMOMISWMKR-UHFFFAOYSA-N 336.366 4.398 0 1 EIAF CN1C=C(C(=O)N2CCCCC2)C=C/C1=C/C=C1/C=Nc2ccccc21 334159017 RBGGXWZHTJIADV-ORFKAXFXSA-N 345.446 4.068 0 1 EIAF Fc1ccc2nc(-c3c(-c4ccccc4)nc4ncccn34)[nH]c2c1 473151850 RQDZLCBDGOGQED-UHFFFAOYSA-N 329.338 4.079 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586887181 ICJXWEDXUJNXAA-QLJPJBMISA-N 346.333 4.030 0 1 EIAF Cc1cc(F)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006830 PYOVBSKFDROOQP-UHFFFAOYSA-N 345.175 4.088 0 1 EIAF Clc1ccc(CC2(c3nc4cc5c(cc4[nH]3)OCO5)CC2)cc1 587073787 NBHTZUWREVUEBV-UHFFFAOYSA-N 326.783 4.219 0 1 EIAF Cc1nn(C)cc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587105193 SDMTWPNCDZZNGB-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CCC(=O)[C@@H](C3)C1 587207116 HVJSVXWAULDKQO-QWHCGFSZSA-N 339.394 4.455 0 1 EIAF C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340838 UKIQWHIUHMPFPQ-TZIWHRDSSA-N 349.361 4.201 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O 587437534 GKMWXSGPJRCXBD-AOMKIAJQSA-N 345.398 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)cc1NC)CC2=O 587460439 IPDCVRIACAOTPK-INIZCTEOSA-N 346.814 4.141 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)c(Cl)c1)CC2=O 587462859 RPMVTQJVMIYICR-MRXNPFEDSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1OC)CC2=O 587484186 XCJAVJCXRVWGPK-IBGZPJMESA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC[C@@H]1C 587486470 LCOBQGAMIZACGA-YEJXKQKISA-N 338.403 4.234 0 1 EIAF CC(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587574512 BIWNMQNOACIDSE-GHTZIAJQSA-N 349.386 4.478 0 1 EIAF CC[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587772542 OFVBOKBZLOEZIX-PIGZYNQJSA-N 349.247 4.171 0 1 EIAF CC(C)Oc1ccc(OC(C)C)n1-c1ccnc(Br)c1 587941960 ZQLSQCLRRAATIY-UHFFFAOYSA-N 339.233 4.209 0 1 EIAF Cc1ccnc2c1CCN[C@@]2(c1ccc(Cl)cc1F)C1CCC1 963090952 SQYTXVRTBRUEIU-LJQANCHMSA-N 330.834 4.372 0 1 EIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2ccccc2)N1c1ccc2nc[nH]c2c1 1772637509 BAQVUMRXZYSJPC-SQGPQFPESA-N 327.387 4.009 0 1 EIAF C[C@@H](CCC[C@@H](C)CCCC(=CCO)CO)CCCC(C)(C)O 2356445403 AKXRSPSASWQOHJ-MSOLQXFVSA-N 328.537 4.451 0 1 EIAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CCC(C)=C[C@H]32)O1 2356867352 WQXFDBGFWSORFF-NVLJRBADSA-N 348.575 4.283 0 1 EIAF CC(C)CN1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 72136130 UIDFIHCWWKWZMH-UHFFFAOYSA-N 336.414 4.045 0 3 EIAF CC(C)N1C(=O)COCc2cc(-c3cnc4ccccc4c3)ccc21 74374827 QIGISCQAYKFCEI-UHFFFAOYSA-N 332.403 4.173 0 3 EIAF O=C1N=CC=C/C1=C1/Nc2cc(Cl)ccc2N1Cc1ccccc1 104021100 XBNQCBHORUKVBJ-OBGWFSINSA-N 335.794 4.151 0 3 EIAF Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccnc3)n2)c1 13489753 ZQFFEUAQGFFMDA-UHFFFAOYSA-N 342.406 4.085 0 1 EIAF COc1ccc2c(c1)CC[C@@H](CN1CCC(c3ccccc3)CC1)C2=O 13588371 QUZAAKMCCPRHKQ-FQEVSTJZSA-N 349.474 4.320 0 1 EIAF CC(C)(C)c1cc(-c2nsc(NC#N)n2)cc(C(C)(C)C)c1O 13727695 RMARUWMZUTXBJC-UHFFFAOYSA-N 330.457 4.399 0 1 EIAF O=C(NC1CCCCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 13833785 JLHIULMMKZDBOZ-QGZVFWFLSA-N 342.508 4.145 0 1 EIAF CCCOC(=O)c1[nH]c(Cl)c(C(=O)O[C@@H](C)C(C)(C)C)c1C 26254097 FSVMPHLKSONXJU-JTQLQIEISA-N 329.824 4.135 0 1 EIAF c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)csc2c1 28653640 XMETTZAVKMMHKX-RTBURBONSA-N 345.508 4.104 0 1 EIAF CCSC[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1CC 28890293 OJBNBZBISQSEAA-AWEZNQCLSA-N 333.284 4.324 0 1 EIAF Oc1ccc(-c2cc3cc(I)ccc3o2)cc1 34093988 CKHVLIPNLNMQRR-UHFFFAOYSA-N 336.128 4.410 0 1 EIAF Cc1cccc(OCCCOc2ccc(CCC(=O)O)cc2)c1C 42921106 KEYKHKKAFOXBBL-UHFFFAOYSA-N 328.408 4.169 0 1 EIAF COc1ccc(Cn2c(=O)ccc3ccc(-c4ccncc4)cc32)cc1 43063330 LEENTPFOLDUXDH-UHFFFAOYSA-N 342.398 4.120 0 1 EIAF N=C1C(=S)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 69061594 UUGMSCZUHLQCCP-UHFFFAOYSA-N 329.812 4.087 0 1 EIAF COc1ccc(F)cc1-c1cc(NCCc2ccccc2F)ncn1 82160242 FIBKKKDVISJNBQ-UHFFFAOYSA-N 341.361 4.085 0 1 EIAF Fc1ccc(CSc2nnc(-c3nc4ccccc4[nH]3)o2)cc1 98085358 KVLVFRIJJXIXFD-UHFFFAOYSA-N 326.356 4.044 0 1 EIAF O=c1cc(-c2ccc(Cl)cc2)oc2cc(Cn3ccnc3)ccc12 103219214 DIPWXSXKOMLDSL-UHFFFAOYSA-N 336.778 4.358 0 1 EIAF Cc1ccc2nc3c(O)n(CCc4ccc(Cl)cc4)cnc-3c2c1 103903834 HTHFTHBRPKVAHA-UHFFFAOYSA-N 337.810 4.446 0 1 EIAF COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 169293014 NVBLQPUZABQFTK-CYCOCUABSA-N 346.467 4.259 0 1 EIAF Nc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N 587050007 NYHLGXMDLVFEIQ-SFYZADRCSA-N 333.222 4.305 0 1 EIAF Nc1cc(F)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1N 587136421 PYKFRAQBOILSRI-UHFFFAOYSA-N 344.699 4.206 0 1 EIAF COc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Cl 587138324 HMSUBOCPGCOFIH-UHFFFAOYSA-N 340.732 4.427 0 1 EIAF Cn1ncc(C(=O)c2coc3ccc(Cl)cc23)c1C(F)(F)F 587278395 LMIITTVFOPZJOS-UHFFFAOYSA-N 328.677 4.070 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1O)CC2=O 587463152 VAXSAPRYIVKBRN-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)cc1O)CC2=O 587464873 CAEAVJQQGZIGSR-QGZVFWFLSA-N 334.318 4.035 0 1 EIAF O=C1C[C@@]2(CCOc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587509343 RIJWWUNGADWLHO-OAQYLSRUSA-N 338.378 4.348 0 1 EIAF CCCCOC(=O)CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521711 JGJZAVBVAGCXAP-NRFANRHFSA-N 344.451 4.413 0 1 EIAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587589106 NMFJVVUQUHTDKZ-JXFKEZNVSA-N 335.359 4.040 0 1 EIAF COc1ccc(-c2cc(CNCc3c[nH]c4ccc(C)cc34)on2)cc1 653721492 NOZFRCSMMWXNPS-UHFFFAOYSA-N 347.418 4.430 0 1 EIAF Cn1c(-c2cccnc2)cc2cnc(Nc3ccc4c(c3)OCO4)cc21 74373069 BTOUTUJOFFKCIE-UHFFFAOYSA-N 344.374 4.108 0 3 EIAF CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 1912758 UTMXFLLOSBJGIE-UHFFFAOYSA-N 339.483 4.094 0 1 EIAF CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@H](C)CC 13610643 ZYUATXVKZMNUNB-GFCCVEGCSA-N 336.867 4.159 0 1 EIAF COc1ccc(Cl)cc1-c1nc(CN(C)Cc2ccccc2)c[nH]1 13741822 HNCIZBMUGXDVDA-UHFFFAOYSA-N 341.842 4.371 0 1 EIAF CC(C)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 25972818 XKQKDMLQVSGDIN-UHFFFAOYSA-N 327.775 4.011 0 1 EIAF COc1cc(CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC 26398730 QVGPIQUMUAJYSP-UHFFFAOYSA-N 336.387 4.291 0 1 EIAF C[C@@H](Oc1ccc(Oc2nc3cc(Cl)ccc3o2)cc1)C(=O)O 26841888 NEMKSHQHJCMJBH-SECBINFHSA-N 333.727 4.125 0 1 EIAF COc1ccc2[nH]cc(Sc3cc(OC)c(OC)c(OC)c3)c2c1 28651328 DUYNWVXDQUOBTJ-UHFFFAOYSA-N 345.420 4.354 0 1 EIAF Cc1cc(CCCOc2c(C)cc(-c3noc(CF)n3)cc2C)on1 28768374 OUXVMIIGJBLSQG-UHFFFAOYSA-N 345.374 4.131 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 34801192 QNMBJXHTULXJII-QAMGIAFZSA-N 345.527 4.399 0 1 EIAF Cc1ccc(N2CCN(C[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1 40951220 OIHWZRQFQMFEOO-FYYLOGMGSA-N 334.507 4.403 0 1 EIAF CC(=O)Nc1ccc2oc(-c3cccc(C(F)(F)F)c3)cc(=O)c2c1 58569515 TWFLEEZXRAWHGN-UHFFFAOYSA-N 347.292 4.437 0 1 EIAF C[C@H](Nc1nccc(N2C(=O)OC(C)(C)C2(C)C)n1)c1ccccc1 142095546 GLWPWHPXDBUOKW-ZDUSSCGKSA-N 340.427 4.164 0 1 EIAF CC[C@]1(C)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 169324261 IRFDHIJPPZIBPX-ICSRJNTNSA-N 325.408 4.208 0 1 EIAF COc1ccc(NC(=O)[C@H]2CCc3ccc4ccccc4c3O2)cc1 169348130 SQNIOGKOPOHHEE-LJQANCHMSA-N 333.387 4.181 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccccc3)c2)C[C@@H]2CC[C@@H]1N2C 169368822 GDTWDHOANPFJQI-JSXRDJHFSA-N 335.447 4.093 0 1 EIAF CO[C@]1(C)CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@H]1O 238774580 OGDIPDDKOOVFTL-LFDXQZSNSA-N 348.483 4.241 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586879204 JNNHTWYXHQJVIK-WAYWQWQTSA-N 334.162 4.030 0 1 EIAF CC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021219 GQLLRYHPWWKRQN-UHFFFAOYSA-N 333.416 4.480 0 1 EIAF c1ccn(-c2sc3c(c2-c2nc4cc5[nH]ncc5cc4[nH]2)CCC3)c1 587032014 FFSHRRCGJXBYHU-UHFFFAOYSA-N 345.431 4.447 0 1 EIAF Cc1ccc2c3c(c(C[C@H]4CCCO4)cnc13)-c1ccccc1C2=O 587101227 KTTVAIRSMFHUFZ-OAHLLOKOSA-N 329.399 4.476 0 1 EIAF Fc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587143851 MAZDVONJXOJECA-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c1ccc(C)c3C)O2 587414608 WLBRZRHMRALTHA-NRFANRHFSA-N 337.419 4.227 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(C)(C)C)(C(=O)OCC)CC2=O 587480466 KBCRWJHZCKVCGO-FQEVSTJZSA-N 348.439 4.048 0 1 EIAF C[C@]1(c2ccc3nc[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523306 HVYIHNJYONFAIW-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2Cl)N1 587701808 XUDOCTGKAWYNIG-WPPNPWJKSA-N 343.627 4.193 0 1 EIAF Cc1ccccc1O[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874008 RZQRFIPGHPJUEA-LBPRGKRZSA-N 338.338 4.211 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)cnc4[nH]3)c2)c1 587933107 KBUWMOYVNCBDGM-UHFFFAOYSA-N 335.338 4.145 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3cnc4ccccc4c3[nH]1)CC2 587947292 VJMZSAPGYRXDQS-AWEZNQCLSA-N 329.403 4.392 0 1 EIAF Cc1cccc(C)c1-n1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)c1 963131074 MFKRYBOOIQHXAB-FQEVSTJZSA-N 346.430 4.027 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc2c(cnn2C)c1 963227409 JGLDMRXNYCIVSC-KSFYIVLOSA-N 333.479 4.493 0 1 EIAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)cc1F 1772576954 DGSHEJPTHAOWRW-HWKANZROSA-N 341.426 4.305 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356584084 SHCHXCXYUPHKHW-ZDNYCOCVSA-N 328.544 4.125 0 1 EIAF COc1cc(F)ccc1-c1csc([C@@H](O)c2ccc(F)cc2)n1 61898315 BMRJJXOFIRYOKM-INIZCTEOSA-N 333.359 4.179 0 3 EIAF COc1c(C)cc([C@H](O)c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C 61905859 BUAQWFPLKCTWOB-KRWDZBQOSA-N 342.826 4.437 0 3 EIAF O=C1Nc2cc(C(F)(F)F)ccc2[C@H]1c1cc(Cl)ccc1O 3928898 GEYOEKOXFSCBMN-ZDUSSCGKSA-N 327.689 4.148 0 1 EIAF O=C(c1ccccc1)[C@H]1Nc2cnccc2[C@@H]2c3ccccc3C[C@@H]12 5582020 MABJQSJTJDPFNQ-GIVPXCGWSA-N 326.399 4.063 0 1 EIAF Cc1cc(C)n2nc(-c3cccc(O)c3)c(-c3ccc(O)cc3)c2n1 13584982 OLBOMWBNRHZUTH-UHFFFAOYSA-N 331.375 4.091 0 1 EIAF CC1(C)C(=O)Nc2cc3[nH]c(-c4ccnc5ccccc45)nc3cc21 29308726 BBTDBQPJFYOJAQ-UHFFFAOYSA-N 328.375 4.008 0 1 EIAF O=c1c2cc(Cl)c(Cl)cc2sn1CCc1ccccn1 29403104 ULPVFGQPNKLHGS-UHFFFAOYSA-N 325.220 4.008 0 1 EIAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(O)cc3)ccc2n1 36351722 CQQUNWIOKPWYDC-IZZDOVSWSA-N 347.418 4.127 0 1 EIAF Oc1ccc(CNCc2ccc(C(F)(F)F)cc2)c2cccnc12 40406159 GLTQDEGSNDCQOH-UHFFFAOYSA-N 332.325 4.249 0 1 EIAF O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)[C@@H](O)/C=C/c1ccccc1 95581813 DPHCCWAANKZCTG-HMVHTGHGSA-N 346.417 4.482 0 1 EIAF CC/C=C/CCOC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169370194 AEUZMXBITBLKGU-NZHSHSJCSA-N 336.472 4.354 0 1 EIAF COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@H]1CC[C@H]2C(C)C 263639049 YRWFATJGYPJDRM-ZGGBOCJMSA-N 334.500 4.345 0 1 EIAF CCOc1ccc(-c2nn3cc(-c4cccc(N)c4)nc3s2)cc1 473089210 RABKKSQZLTYFSE-UHFFFAOYSA-N 336.420 4.106 0 1 EIAF Cc1ccc(-c2nn(C[C@H](C)c3ccccc3)c3ncnc(N)c23)cc1 473135478 IKMVQRBZNJAVOC-HNNXBMFYSA-N 343.434 4.188 0 1 EIAF COC(=O)c1ccnc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc12 587053554 FJTCTNCBIVHETC-AATRIKPKSA-N 348.189 4.222 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc12 587161095 JVBBYUFNMMDSSS-RYUDHWBXSA-N 346.203 4.439 0 1 EIAF Fc1cc2c(c(Cc3nc4cc5ccccc5cc4[nH]3)c1)OCOC2 587171870 UDILHKHHYYMIMA-UHFFFAOYSA-N 334.350 4.313 0 1 EIAF Cc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Cl 587178101 PTTHSNZZZAZRBO-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF COc1cccc(-c2c(CCO)c(C)nc3c2oc2ccccc23)c1 587365283 FOKIXCHJRNGKKG-UHFFFAOYSA-N 333.387 4.500 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CN(C)C)c1)CC2=O 587470671 VYGFGFJKBDGHJG-HXUWFJFHSA-N 339.435 4.113 0 1 EIAF O=C1C[C@H](c2c[nH]c3ncc(F)cc23)Oc2c1ccc1c2CCCC1 587508461 PKRBKMNUCXQUKC-GOSISDBHSA-N 336.366 4.287 0 1 EIAF C[C@H]1CCCN(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515572 VFEMENZETAEUOC-BTYIYWSLSA-N 327.468 4.021 0 1 EIAF CC(=O)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526311 UVTUZROKLAZACU-HXUWFJFHSA-N 336.387 4.197 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)[nH]1 587588441 KPPIHPAIIPOBSC-XLIONFOSSA-N 335.359 4.040 0 1 EIAF FC(F)(F)c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cn1 587780554 CISFXZVJRMVHES-DAXSKMNVSA-N 333.313 4.207 0 1 EIAF COc1cccc(C)c1-c1nc2cc(Br)c(F)cc2[nH]1 587785654 DWRGDHODKYNMAB-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 587787041 UFFJZKXROGDRLV-ZIAGYGMSSA-N 340.810 4.468 0 1 EIAF COc1ccc(OC)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1OC 587927875 ZGFLAPSNSVZPRX-UHFFFAOYSA-N 336.750 4.048 0 1 EIAF COc1cccc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCCC2)c1 587933865 XMCAXNFIMATNLP-UHFFFAOYSA-N 348.406 4.014 0 1 EIAF O=C(O)C1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 618011764 BEOHVEGWEGMMQV-UHFFFAOYSA-N 338.382 4.275 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C)c(F)c(C)c1 963613219 UPWBUIKVQGMXKE-RNODOKPDSA-N 329.415 4.083 0 1 EIAF CNC(=O)c1ccc2nc(C(c3ccccc3)c3ccccc3)[nH]c2c1 1857613804 ZXDOBYNWOXIVTK-UHFFFAOYSA-N 341.414 4.103 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@H](O)[C@H]1CC=CCCCC(=O)O 2356710307 YRFLKMLJQWGIIZ-XWSJACJDSA-N 338.488 4.072 0 1 EIAF COc1ncnc2c(Cl)c([C@H](O)c3ccccc3)c(Cl)cc12 6483495 RDCCSIXAVAYADF-OAHLLOKOSA-N 335.190 4.027 0 1 EIAF COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1O 13606851 YVRVWACMQBVWPH-KPKJPENVSA-N 325.408 4.350 0 1 EIAF COc1ccc(-c2cc3c(NC(=O)C4CCCC4)ncnc3o2)cc1 14946133 CFCRCCSSNULXBB-UHFFFAOYSA-N 337.379 4.027 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C 15221155 MJGCVTXRSBGNOQ-YYTAETEZSA-N 332.440 4.252 0 1 EIAF biogenic COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C=CC=C[C@@H]12 17213082 OVHUTOPKMFWCLP-IVQVNHIISA-N 342.049 4.006 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CCC4=C(O)C(=O)CC[C@@]43C(F)F)[C@@H]1CCC2=O 26740850 HSMCEDAOAKMTGP-PHALAIFPSA-N 338.394 4.218 0 1 EIAF CCOC(=O)c1ccc(OCCCC(=O)c2ccc(C)s2)cc1 27890494 HCMZGQNQDRAYEY-UHFFFAOYSA-N 332.421 4.275 0 1 EIAF CCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2ncccc12 28221253 SDTLBPSTKJMQFP-OAHLLOKOSA-N 345.487 4.352 0 1 EIAF Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)c(O)c21 36350462 IEHJRJWSICTKNL-UHFFFAOYSA-N 325.364 4.500 0 1 EIAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 38356437 UINDYEKBRZRPSX-KCGDGBRXSA-N 332.484 4.469 0 1 EIAF O=C(NC(=S)NCc1ccc(-c2ccccc2)cc1)c1ccccc1 72124776 UCHPBXXJEMMUSL-UHFFFAOYSA-N 346.455 4.158 0 1 EIAF Cc1ccc(CN2[C@H]3CC[C@@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1 72316730 CUJPUWSIKWTBRS-SEJPIABJSA-N 346.478 4.479 0 1 EIAF O=C(NC[C@H]1CC[C@H](COc2ccccc2)CC1)c1ccc(O)cc1 145343698 YLWSYWRAZBXIOR-CALCHBBNSA-N 339.435 4.007 0 1 EIAF C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C\C(=O)O 238787743 KNDPLJZJPQWOMQ-PTOKGQBXSA-N 330.468 4.365 0 1 EIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(OC)cc3[nH]2)s1 587014746 PNEDIMACGGQLQW-SNVBAGLBSA-N 347.440 4.110 0 1 EIAF COC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587022181 VLKSYHRTAAKZKA-UHFFFAOYSA-N 349.415 4.064 0 1 EIAF CCc1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 587065461 RBRQARRJRBAKDG-UHFFFAOYSA-N 344.798 4.179 0 1 EIAF COc1ccc(-c2nc3ccc(C(C)=O)cc3[nH]2)c(C(F)(F)F)c1 587098016 ONWDUYVNJGJUBK-UHFFFAOYSA-N 334.297 4.460 0 1 EIAF O=C1c2ccccc2-c2cc(CCN3CCCCC3)nc3cccc1c23 587107340 REMJNNWMILMIAT-UHFFFAOYSA-N 342.442 4.475 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587164106 QZJNEDHHHLWYNO-HNNXBMFYSA-N 339.748 4.285 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1C1CCCCC1)[C@@H](C2)C3=O 587432577 WRJYBWXBSXVGEV-HRAATJIYSA-N 337.419 4.491 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(C(C)C)nc1C)[C@@H](C2)C3=O 587449746 GVYZOFNTVZEPAS-ORAYPTAESA-N 343.448 4.246 0 1 EIAF C[C@@]1(C[C@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587523472 JDKRKPPISKJUGA-QVKFZJNVSA-N 326.436 4.439 0 1 EIAF O=C1C[C@H](c2cc(-c3ccccn3)[nH]n2)Oc2c1ccc1c2CCCC1 587527682 VGOPYDRHQKOQOZ-HXUWFJFHSA-N 345.402 4.057 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1 587567700 BBZBNZHNHPALSD-PXNSSMCTSA-N 336.318 4.234 0 1 EIAF CCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCCC2 653730346 WTZIXIMXZZSROX-UHFFFAOYSA-N 339.483 4.133 0 1 EIAF COc1ccc2c(c1)c1c3n2C(=O)CC[C@@H]3N(Cc2ccccc2)CC1 1857768857 XRLWMFHFUDKMOA-FQEVSTJZSA-N 346.430 4.183 0 1 EIAF CCCCC[C@H](O)[C@@H](O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356388991 CDZGNGSWCSIISG-SLFFLAALSA-N 348.483 4.164 0 1 EIAF OC[C@@H]1[C@@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 13813473 VUFZASPEXYQTLI-NHCUHLMSSA-N 346.405 4.195 0 3 EIAF C/C=C(/C)C(=O)OC/C=C\c1ccc(OC(=O)/C(C)=C\C)c(OC)c1 15113466 XBXXXXXDBUJKFO-OZSFVTRVSA-N 344.407 4.089 0 1 EIAF C[C@@H]1CCc2c(sc3c2CSC(C(=O)Nc2cccnc2)=C3)C1 20557608 OIEHSAFNZMKWLK-LLVKDONJSA-N 342.489 4.494 0 1 EIAF COc1cc(Cl)ccc1[C@@](O)(c1ccccc1)c1cccnc1 27431688 VUGOEPFUNLHIBN-LJQANCHMSA-N 325.795 4.028 0 1 EIAF CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1ccccc12 36382053 BXNOABVERIFQPY-LAUBAEHRSA-N 335.403 4.038 0 1 EIAF COC(=O)c1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 66076705 SYGMZZPCKQWKMU-UHFFFAOYSA-N 331.375 4.115 0 1 EIAF O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1F 73311167 YAQRTSUWRLFVKP-CQSZACIVSA-N 329.154 4.207 0 1 EIAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)C3)c1C 73386629 SNBPFDVWAWIABV-UHFFFAOYSA-N 339.439 4.483 0 1 EIAF CO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F 101724133 XLKDRFPRFDLGBV-HVESIFNPSA-N 337.354 4.287 0 1 EIAF Cc1c(Br)ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902782 MKDIYMZWZJRWPN-SWLSCSKDSA-N 343.224 4.203 0 1 EIAF Cc1c([C@@H](C)CN(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988814 RNRIFABDZSKJFE-LBPRGKRZSA-N 346.430 4.125 0 1 EIAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cnncc2[nH]1 587039307 CKSVYXWTBLTYKH-UHFFFAOYSA-N 345.431 4.198 0 1 EIAF c1ccc(C[C@H]2N[C@@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 587041980 RAGQLJRGRKLQSL-MOPGFXCFSA-N 349.503 4.388 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cc(C)c2[nH]1 587064790 GAXMJFIGAPIJBF-UHFFFAOYSA-N 344.798 4.233 0 1 EIAF FC(F)(F)c1ccc(-c2nc3cnncc3[nH]2)c(C(F)(F)F)c1 587094535 BAKAUZWCXVWUKQ-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF FC(F)(F)c1cc(-c2nc3ccccc3[nH]2)c(Br)cn1 587116084 MULZUMHWVJPVAN-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)c2c1 587175653 WZLBSIZOFANRGO-UHFFFAOYSA-N 335.169 4.476 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1SC 587408645 HHWVXTCNZPEQIN-INIZCTEOSA-N 329.421 4.014 0 1 EIAF COc1cc2c3c(c1)O[C@](/C=C1/CCCO1)(c1ccccc1)[C@@H](C2)C3=O 587452060 IRZTXDBRPCORAJ-SJCKNBAMSA-N 348.398 4.032 0 1 EIAF COc1cc2c3c(c1)O[C@@](CC(C)C)(c1cccs1)[C@@H](C2)C3=O 587453129 URABVVMASQINLR-IFXJQAMLSA-N 328.433 4.446 0 1 EIAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587527933 ZRRINBLUGRUBPL-IBGZPJMESA-N 338.403 4.376 0 1 EIAF COc1ccc(-c2[nH]c3cc(F)ccc3c2CC(=O)O)c(Cl)c1 587633241 WFEAZRKDKGPNDO-UHFFFAOYSA-N 333.746 4.263 0 1 EIAF CC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649562 PZTHIYIRRNSXGM-UHFFFAOYSA-N 347.823 4.094 0 1 EIAF COc1cccc(CCc2nc3cc(F)cc(Br)c3[nH]2)c1 587931153 MHTHLJDXRXFGJE-UHFFFAOYSA-N 349.203 4.258 0 1 EIAF COc1cccnc1-c1ccc2c(c1)/C(=C/c1[nH]c(C)cc1C)C(=O)N2 653753077 VKYKPTGHXRRONM-WJDWOHSUSA-N 345.402 4.195 0 1 EIAF Cc1ccnc2c1CCN[C@]21C(c2ccccc2)=COc2ccccc21 963072502 SLPAPNRKUKUWQN-HSZRJFAPSA-N 340.426 4.213 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 2356506279 HTJLAOAUYDTOJA-NXDVGTENSA-N 332.440 4.108 0 1 EIAF COc1cccc([C@](C)(O)c2nc(-c3cccc(F)c3)cs2)c1 61927947 DIESBTQHODYGCX-SFHVURJKSA-N 329.396 4.214 0 3 EIAF O=C(c1cnc(Nc2ccc(F)cc2)c2ccccc12)N1CCCC1 213752 UQSCGTGHLRHDQY-UHFFFAOYSA-N 335.382 4.354 0 1 EIAF CC(=O)N1CCC([C@H](Oc2ccccc2)c2ccc(F)cc2)CC1 13531021 NBDCHRYNSWMLCY-HXUWFJFHSA-N 327.399 4.204 0 1 EIAF CCCCc1ncc(/C(C)=C/C(=O)O)n1Cc1ccccc1Cl 13728103 FAKJRGQKMQGOGH-JLHYYAGUSA-N 332.831 4.415 0 1 EIAF CC(C)(C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 14971018 SBFJMGDUIWYKMQ-KRWDZBQOSA-N 342.391 4.099 0 1 EIAF in-vivo CC(C)(C)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26574040 UAZGEOPGYIJTJW-KRWDZBQOSA-N 338.407 4.090 0 1 EIAF CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1 26662836 NODOOVCFKLFCGG-UHFFFAOYSA-N 349.456 4.298 0 1 EIAF CN(C)CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 28653899 BBHIOAOQYULUDC-LJQANCHMSA-N 344.886 4.082 0 1 EIAF CC[C@H]1O[C@@H]2c3sccc3CO[C@@H]2[C@H]1OCc1ccccc1C 103282014 KRCJEWDPGIYZHS-XDNAFOTISA-N 330.449 4.391 0 1 EIAF O=c1[nH]cnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 103289633 GAVQAZHSHHQAMR-QGZVFWFLSA-N 326.355 4.209 0 1 EIAF Cc1cccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)c1 169307890 IULFDZWGHZUGIS-LJQANCHMSA-N 344.418 4.252 0 1 EIAF c1cc2c(s1)CCS[C@@H]2c1nc2cc3c(cc2[nH]1)OCCCO3 587037434 VQPQDUCTADKWTJ-INIZCTEOSA-N 344.461 4.164 0 1 EIAF Cc1cc(Cl)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177152 AECSHIHDQCXFFO-UHFFFAOYSA-N 330.794 4.326 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c5c(ccc14)CCC5)[C@@H](C2)C3=O 587438116 MKAUJOSDHALHLV-AOMKIAJQSA-N 345.398 4.154 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cccc1Cl)CC2=O 587461689 SDYZAMHDBOUHFU-INIZCTEOSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccnc1Cl)CC2=O 587465662 JKUACYUGUYPTBC-CQSZACIVSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N(C)C)cc1)CC2=O 587471003 XRIRTSKWLOEQQL-NRFANRHFSA-N 339.435 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(/C=C/N1CCCCCC1)CC2=O 587474269 FXKMPDSWWUFVDA-QGFLDLQWSA-N 343.467 4.458 0 1 EIAF O=C1C[C@]2(C[C@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587523762 PKWBLJDGNKDQIL-XXBNENTESA-N 345.442 4.017 0 1 EIAF CC(C)Cc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963022184 ICJPFKWMLUVREG-ZUOKHONESA-N 340.492 4.089 0 1 EIAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)c1ccc(Cl)cc1 963071574 JVWNPUBWJUIIOL-NRFANRHFSA-N 334.850 4.481 0 1 EIAF Fc1cccc2c1OCC[C@]21NCCc2c(Cl)cc(Cl)cc21 963102698 DXWOTHRDXZRCFB-KRWDZBQOSA-N 338.209 4.304 0 1 EIAF Fc1cccc2c1[C@@H](c1cccn1-c1cccnc1)N1CCC[C@H]1C2 963114567 VTBCJHWSBGTIIA-HRAATJIYSA-N 333.410 4.121 0 1 EIAF Oc1nc2cc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)ccc2o1 963120538 JMWYSMJDEHFSLW-HNNXBMFYSA-N 335.190 4.075 0 1 EIAF Cc1ccc(CN2C(=O)COCc3cc(-c4ccncc4)ccc32)cc1 74374808 WVDDSRCJSCVKDL-UHFFFAOYSA-N 344.414 4.120 0 3 EIAF COc1cccc(Cc2n[nH]c3ccnc(-c4cccc(OC)c4)c23)c1 74388507 ZHFJPXCXORYDRY-UHFFFAOYSA-N 345.402 4.233 0 3 EIAF c1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 5596426 ALCAMMCRKMYAHH-UHFFFAOYSA-N 336.398 4.444 0 1 EIAF CC(C)C(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 6325183 GNHYWCFZZGYNQI-UHFFFAOYSA-N 344.802 4.100 0 1 EIAF CCc1nn(C2CCCC2)c2c1CCN(c1cccc(Cl)c1)C2=O 13779823 CMBMBGWFZPINMW-UHFFFAOYSA-N 343.858 4.417 0 1 EIAF C[C@@]12CCC(=O)C=C1C=C[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 13783487 UJVLDDZCTMKXJK-VHCUVLFBSA-N 340.463 4.370 0 1 EIAF CN1CCc2cc(F)c(O)cc2[C@@H]1C1(c2ccccc2Cl)CC1 28476443 AXNBRAABOINRNO-GOSISDBHSA-N 331.818 4.446 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801408 YUEVEZWXYBGVTF-IGVOMUQLSA-N 345.527 4.301 0 1 EIAF N=C(Nc1ccc2[nH]cc([C@@H]3CN4CCC3CC4)c2c1)c1ccco1 34806255 ZPALVTAUXXCYMC-QGZVFWFLSA-N 334.423 4.008 0 1 EIAF CC(C)CNc1cc(CCc2ccccc2)nc(N(C)CC(C)C)n1 40954383 BOWBXHLYTXPYRB-UHFFFAOYSA-N 340.515 4.422 0 1 EIAF CC(C)(C)c1ccc(OC[C@H]2CN(c3ccccc3)C(=O)O2)cc1 49111421 AUWQGNKAKYHFEN-GOSISDBHSA-N 325.408 4.388 0 1 EIAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)OC2CCCC2)N3C)cc1 100728635 PSQGGMTYCHMOPL-FRYIKTPZSA-N 327.468 4.047 0 1 EIAF O[C@H]1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 586904257 SENXOJYICVYDCN-BMIGLBTASA-N 336.288 4.290 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(C)c2[nH]1 586916937 PSISELAKIUBXFQ-VLIAUNLRSA-N 338.382 4.227 0 1 EIAF Cc1cc(C)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 586984186 OECWCNQLHBBALJ-AWEZNQCLSA-N 344.256 4.185 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587168555 ITXLHDZXQACHIG-MRVPVSSYSA-N 325.265 4.256 0 1 EIAF CC(C)[C@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OC(C)(C)C 587198156 UUOFAVKRUDQCIA-CYBMUJFWSA-N 338.839 4.175 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2c1 587247879 WHCBJMZZISHHPN-UHFFFAOYSA-N 326.375 4.057 0 1 EIAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(C(F)(F)F)cc1 587368304 MXQCCMOYNXOCIG-UHFFFAOYSA-N 349.312 4.074 0 1 EIAF CCCCn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl 587378445 CGRCLEWOAMAXAI-HNNXBMFYSA-N 347.846 4.242 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)c(Cl)c1)CC2=O 587462855 RPMVTQJVMIYICR-INIZCTEOSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](COc1cccc(C)c1)CC2=O 587480678 ORDWMRBGWVKREX-OAHLLOKOSA-N 326.392 4.066 0 1 EIAF CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587523565 KGMOIQYSICOTJF-LJQANCHMSA-N 338.403 4.376 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@@H](N)C(=O)O)c2c1 587642076 JFCNFXVCZAMSFY-ADLMAVQZSA-N 337.423 4.015 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587937961 RJKKBMFNTCBJTC-FVMDXXJSSA-N 334.778 4.201 0 1 EIAF Cc1cc(-n2c(O)ccc2OC(C)(C)C)nn1Cc1ccccc1F 587945227 KZQNOOMXYDARFV-UHFFFAOYSA-N 343.402 4.053 0 1 EIAF COc1ccc(NC(=O)Nc2nc3ccc(F)cc3s2)cc1OC 653882260 GITDNFCMHNSJQU-UHFFFAOYSA-N 347.371 4.097 0 1 EIAF C[C@@]1(c2ccc3[nH]c(O)cc3c2)c2ccc(F)cc2C[C@@H]2CCCN21 963099512 HXQJVTLFSZFKJN-LAUBAEHRSA-N 336.410 4.297 0 1 EIAF c1ccc(-c2ccc(SCc3nc4ccccc4s3)nn2)nc1 1772625596 YLNGDDIUSFPHPN-UHFFFAOYSA-N 336.445 4.441 0 1 EIAF CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl 1772642879 NJRPPUQVWVTRFJ-UHFFFAOYSA-N 341.842 4.077 0 1 EIAF CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1 1857545485 DFGZOOQJTBRPKG-UHFFFAOYSA-N 325.416 4.114 0 1 EIAF CC(C)c1ccc(-c2nnc(SCCCC(=O)O)o2)c(Cl)c1 1857615800 FWFMVKLRGUXIDV-UHFFFAOYSA-N 340.832 4.470 0 1 EIAF Fc1cccc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)c1 61711158 FQXDQAFVGLDHEX-JOCHJYFZSA-N 348.465 4.038 0 3 EIAF Cc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 61903228 XRSHIOHOHXDRCW-UHFFFAOYSA-N 329.762 4.430 0 3 EIAF CCn1c(=O)n(CC)c2cc(-c3ocnc3-c3cccc(C)c3)ccc21 14958572 ASOVAAACYBHBLL-UHFFFAOYSA-N 347.418 4.473 0 1 EIAF COc1cc2ccc1Oc1cc(ccc1O)CC[C@H](O)CCCC2 15251162 SKQFVMGWNXOEPV-MRXNPFEDSA-N 328.408 4.213 0 1 EIAF biogenic Brc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@@H]1CO2 26161992 UEDNWQXXCKIYMD-PBHICJAKSA-N 344.252 4.057 0 1 EIAF CN1CCC(Sc2cn(C)c3ccc(Br)cc23)CC1 27886922 XOJUCKIFNVJKAX-UHFFFAOYSA-N 339.302 4.127 0 1 EIAF COc1cccc(C(=O)NCc2cccs2)c1Oc1ccccc1 45229059 YXGSFEHWCJVSDV-UHFFFAOYSA-N 339.416 4.479 0 1 EIAF Cc1c(Cl)cccc1Oc1cccn2c(C3CCOCC3)nnc12 72107587 CGZFGLSFNKAXBP-UHFFFAOYSA-N 343.814 4.377 0 1 EIAF CCOc1ccccc1CNCc1coc(-c2cccc(F)c2)n1 72183004 KJTXKDANZNGORL-UHFFFAOYSA-N 326.371 4.169 0 1 EIAF CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 95574260 UHJLLGNUFFCXJB-UHFFFAOYSA-N 328.375 4.250 0 1 EIAF O=C(c1ccc(Cl)c(O)c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 96169300 QKSGQFJURMZWEC-AEFFLSMTSA-N 341.838 4.380 0 1 EIAF Cc1ccc(Nc2nc(C(=O)N3CCC[C@H](C)[C@H]3C)cs2)cc1 96283042 YKFSMOUFOXUQLG-UONOGXRCSA-N 329.469 4.456 0 1 EIAF CCOC(=O)c1nc(-c2ccccc2)c2ccccc2c1OC(C)=O 114019644 AUMRRKQBLPOTPI-UHFFFAOYSA-N 335.359 4.004 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@H]4[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169323344 ZAZGULUMJMBMJD-WGKOQXAXSA-N 331.500 4.009 0 1 EIAF N=c1[nH]ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587050845 UNNBUCJYQJEARO-UHFFFAOYSA-N 348.793 4.170 0 1 EIAF NC(=O)c1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587053590 GASMTOSLHOILRV-BQYQJAHWSA-N 332.190 4.139 0 1 EIAF O[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1Cl 587059491 RCRNQNZEJMYLAZ-ZDUSSCGKSA-N 344.695 4.456 0 1 EIAF Cc1cc(C)c2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c1 587060828 NMQAWTMNMSMDBC-UHFFFAOYSA-N 349.825 4.370 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccsc3)n1)O2 587415278 ZDCPAUZWEWTPOY-GOSISDBHSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(F)cc4c1C)[C@@H](C2)C3=O 587429761 WSSUGZDRSVNBBH-VBKZILBWSA-N 337.350 4.113 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)c(C)c1C)[C@@H](C2)C3=O 587444720 TZTSNDRFKCNMHG-YCRPNKLZSA-N 338.403 4.118 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccs4)n1)[C@@H](C2)C3=O 587453228 WNBAIFSHEQTPAQ-RBZFPXEDSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)ccc1C)CC2=O 587460372 ICFQFEZZCMRYQC-HNNXBMFYSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ncccc1C)CC2=O 587489690 VOUXSNRFDOVCQN-HXUWFJFHSA-N 325.408 4.319 0 1 EIAF COc1ccc2c(c1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587527575 WYHISFUSXVPIHC-QFIPXVFZSA-N 334.415 4.077 0 1 EIAF O=C(O)c1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529171 KBZWQVPHDKNQMD-QFIPXVFZSA-N 348.398 4.071 0 1 EIAF CCO/C=C(\C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795707 JBOHHKHIEUWSAO-AZZDBCTDSA-N 328.225 4.104 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587935336 IHYJKRQYVQNGPI-APPDUMDISA-N 330.815 4.370 0 1 EIAF CC/C(=C\c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 587968590 UXUYWMJEZQETNP-JLHYYAGUSA-N 342.420 4.069 0 1 EIAF FC1(F)CCC(Cn2c(CN3CCCC3)nc3ccccc32)CC1 621478254 KOFYCTZNHYCUGY-UHFFFAOYSA-N 333.426 4.458 0 1 EIAF C[C@@]1(c2cnn3ccccc23)NCCc2cccc(-c3ccccc3)c21 962672191 XTTZFOSRORYRHT-QHCPKHFHSA-N 339.442 4.411 0 1 EIAF CN1C(=O)C[C@@H]2CN[C@]3(C=C4CCCC[C@@]4(C)CC3)c3cccc1c32 963035512 RXNQGDMDZKYQFH-KBJGYGKASA-N 336.479 4.236 0 1 EIAF CN1C[C@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c34)C[C@H]21 4217573 VCRAKEDGLIINLR-AUUYWEPGSA-N 347.487 4.225 0 1 EIAF biogenic,in-man CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@]2(C)CCC1=CC(=O)OC1 14928222 KZIDMGQRXAFSCG-SMOSDQRPSA-N 332.440 4.113 0 1 EIAF biogenic CC[C@H](C)N(CC[C@@](CC(C)C)(C(N)=O)c1ccccn1)[C@@H](C)CC 27522992 SEAQJMHMJNQGCV-WFXMLNOXSA-N 347.547 4.140 0 1 EIAF O=C([C@@H]1Oc2ccccc2[C@@H]1CCc1ccccc1)N1CCCCC1 40584916 LHEBGDMFEHYIPS-PZJWPPBQSA-N 335.447 4.177 0 1 EIAF CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccccc2F)s1 82176206 JCFSJRCYVPTFSF-UHFFFAOYSA-N 342.443 4.425 0 1 EIAF COc1ncccc1N[C@H](c1cccnc1)c1c(C)[nH]c2ccccc12 103244953 PLDRFPAQBXALIC-HXUWFJFHSA-N 344.418 4.476 0 1 EIAF CC1(C)[C@@H]2C[C@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)[C@](C)(O)C[C@H]21 195464914 VTOLOYGWYKBTJJ-RYNHCWLZSA-N 338.557 4.091 0 1 EIAF CC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 586975969 HPCMBFNMCBAKRC-UHFFFAOYSA-N 343.224 4.427 0 1 EIAF Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1C 587087285 OAIIELZOAZEBMP-UHFFFAOYSA-N 336.002 4.049 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1C 587125656 SIFCIESUUWSZFE-ZANVPECISA-N 349.360 4.351 0 1 EIAF Cc1cnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134873 PPYMTIXSWYQDTJ-NSCUHMNNSA-N 325.240 4.132 0 1 EIAF CNc1c(F)cccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587135611 JVISYHCDUXRZAQ-UHFFFAOYSA-N 325.265 4.309 0 1 EIAF Fc1nc(Cl)ccc1-c1nc2ccc(Br)c(F)c2[nH]1 587177675 SUXLCTAIZMULDI-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](O)c3ccccc31)CC2=O 587487414 ZQTQBDCPPCENJQ-RXVVDRJESA-N 338.403 4.033 0 1 EIAF COC(=O)C1(C)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587523508 JNPAEQGQSXBNEP-UHFFFAOYSA-N 342.435 4.023 0 1 EIAF C[C@@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587525295 VAMKNYKMUXBRMQ-DZGCQCFKSA-N 344.451 4.267 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1occc12 587615228 FOUCIKJEMCKWFK-GHTZIAJQSA-N 348.354 4.179 0 1 EIAF COC[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793900 OEVPJPUUPMKYAD-ZBEGNZNMSA-N 344.268 4.010 0 1 EIAF C[C@H]([C@H]1NC2(CC2)Cc2ccc(Br)cc21)C(F)(F)F 961617688 VJRYVEBUAIUPAK-PRHODGIISA-N 334.179 4.367 0 1 EIAF Cc1ccc(O)cc1[C@H]1c2cccc(Br)c2CCN1C 963279859 JZWLPLXSCLXXBE-QGZVFWFLSA-N 332.241 4.040 0 1 EIAF CCC=C[C@H](CC)CC=C[C@](O)(CC)C[C@@H](CC)[C@@H](O)CC(=O)O 2356809227 AORDPECMLXDOLO-HLNWXESRSA-N 340.504 4.318 0 1 EIAF COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1 13777036 NPIJXUGEZHABCE-VEESAYDSSA-N 345.489 4.097 0 1 EIAF CC/C=C\C/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C\CCCC(=O)O1)OC 14768297 QXHLHGKKWDCOOY-VNOITFHJSA-N 348.483 4.263 0 1 EIAF CC(C)C(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)C 28237316 UEYJURIORREEAK-CVEARBPZSA-N 343.298 4.465 0 1 EIAF c1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccncc4)cc3[nH]1)CO2 40845199 DRJUMLWNSGFXRJ-KRWDZBQOSA-N 327.387 4.344 0 1 EIAF Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN)c2c1 40878873 HVSGNYDJYBCMBH-WEVVVXLNSA-N 338.842 4.133 0 1 EIAF COc1ccc2c(c1)CCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 84618077 BIRNQUXNYNNHGC-MRXNPFEDSA-N 328.408 4.189 0 1 EIAF COc1cc2ncnc(Nc3cccc(C(F)F)c3)c2cc1OC 164685320 KQNLEEBXJKSLKN-UHFFFAOYSA-N 331.322 4.328 0 1 EIAF C[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F 587097430 HLVAOQHNFNJAFI-PSLIRLAXSA-N 348.328 4.457 0 1 EIAF Fc1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)nc1Br 587155520 NNSJTQRFBNUJBU-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF C[C@@]1(c2nc3cc4ccccc4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173834 JYRVUZOKVHMCNC-NRFANRHFSA-N 346.361 4.484 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(CCOCC1)C3 587209862 VOEFUJPKCILJDB-UHFFFAOYSA-N 327.383 4.051 0 1 EIAF CC(C)c1c(C2C(=O)CC(C)(C)CC2=O)nc2cccc3c2c1CC3 587214502 AYYZQQCQVKJYKI-UHFFFAOYSA-N 335.447 4.499 0 1 EIAF COCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351762 UYHBLKLBLJTUGQ-QUCCMNQESA-N 344.382 4.076 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC(F)F)c1)O2 587382244 KZLZIOFTXWHVQP-CQSZACIVSA-N 337.297 4.024 0 1 EIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 587402636 FQOOFIUGSGOQRQ-HXUWFJFHSA-N 333.387 4.446 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3)s1)O2 587413043 LOCRPKXBRZEAIX-MRXNPFEDSA-N 336.416 4.407 0 1 EIAF CCc1oc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455293 LTGLQJHYFBIRON-SPLOXXLWSA-N 334.371 4.493 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)c(OC)c1)CC2=O 587465119 ATSXWYDPKRBTMM-MRXNPFEDSA-N 348.345 4.338 0 1 EIAF O=C1C[C@@]2(CCOc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587510757 VYKLTNFODRLHGZ-OAQYLSRUSA-N 338.378 4.348 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614792 ULQYAEFDYWMVNE-APWZRJJASA-N 338.384 4.465 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 587784770 JBJGPDAWQXXEPM-KGLIPLIRSA-N 340.810 4.468 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587786480 QSHZXEFXACQOMZ-QWHCGFSZSA-N 344.773 4.299 0 1 EIAF N=c1[nH]n(C2CCCC2)cc1-c1nc(-c2ccc(F)cc2)cs1 587923138 QKQYXKRTJMUEMF-UHFFFAOYSA-N 328.416 4.340 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587938655 YGIYBHWJLKTTSD-DIFFPNOSSA-N 330.815 4.370 0 1 EIAF CCC[C@H](c1nc2cc(I)cnc2[nH]1)C(C)C 587955699 UGWHULPKXWHOIH-JTQLQIEISA-N 343.212 4.102 0 1 EIAF O=C1C[C@H]2C[C@@H](C1)C[C@]1(C2)c2ccsc2CCN1Cc1ccco1 962714554 WNIVVCLMSABUMP-YVWYUNDQSA-N 341.476 4.374 0 1 EIAF Cc1ccnc2c1CCN[C@@]2(CC(=O)c1ccccc1)c1ccccc1 963068183 KBMNPOLRMSVZJT-QHCPKHFHSA-N 342.442 4.052 0 1 EIAF Cc1cc(Nc2cc(Cl)cc(-c3ccc(O)cc3)c2)nc(N)n1 1772634601 LCYBLOIKYXDAEK-UHFFFAOYSA-N 326.787 4.137 0 1 EIAF CC(=CCc1cc(O)ccc1O)CCc1c(C)cc(O)c(CO)c1C 2356381457 NFPCTCBZGNWBDK-UHFFFAOYSA-N 342.435 4.034 0 1 EIAF Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 1369494 CKYDUMAKNUMGNZ-OALUTQOASA-N 345.556 4.323 0 1 EIAF CCCCC/C=C/C/C=C/C[C@@H](O)[C@H](O)C/C=C/CCCC(=O)O 12495909 DCJBINATHQHPKO-APHPQYKBSA-N 338.488 4.382 0 1 EIAF NCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454504 CTQGVUFBEMLQKE-UHFFFAOYSA-N 337.419 4.358 0 1 EIAF COc1ccc(CN2CCC3(CCc4ccccc4C3=O)CC2)cc1 13734353 UFVQFLZDNKHMBP-UHFFFAOYSA-N 335.447 4.107 0 1 EIAF Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1 13860717 HUSMLXYFWREJSD-UHFFFAOYSA-N 336.366 4.251 0 1 EIAF c1ccc(COC[C@@]23N[C@@H](Cc4ccccc42)c2ccccc23)cc1 26012713 YPQFFHHHVNALDI-XZOQPEGZSA-N 327.427 4.347 0 1 EIAF CC(C)C[C@@H]1c2[nH]c3ccccc3c(=O)c2CN1C(=O)OC(C)(C)C 45230121 QRCNPDWERSOIAX-MRXNPFEDSA-N 342.439 4.366 0 1 EIAF O=S(=O)(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 45483780 PWRZZJJEXBGXTH-UHFFFAOYSA-N 336.627 4.448 0 1 EIAF CC(C)Nc1nc(NC2CCCCC2)nc(N2CCCCCCC2)n1 95616632 KUPUIKUQRDMESM-UHFFFAOYSA-N 346.523 4.207 0 1 EIAF CN1CCC(NC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 103231479 CLVBHUYAUFDZLP-UHFFFAOYSA-N 333.435 4.112 0 1 EIAF C[C@@]1(c2ccccc2)CC[C@@H](NC(=O)Nc2cccc3[nH]ncc23)C1 149652270 HLGPATMBCZPXJD-FOIQADDNSA-N 334.423 4.195 0 1 EIAF CC(C)=CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238748929 JMPCBBCNNVGUKM-DZXDFRQDSA-N 330.424 4.028 0 1 EIAF CN[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC5=C(C)NC[C@@]54CC[C@H]32)C1 255283646 YDHWVBOTXSGPIM-QMOJQREWSA-N 328.544 4.474 0 1 EIAF FC(F)(F)c1ncc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2n1 587023111 DZGNYNUDGMMGKX-UHFFFAOYSA-N 347.325 4.162 0 1 EIAF Oc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(Cl)c1 587053275 BCGFYSQYMCXILN-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF OCc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084343 ZBEPJEGVPQWSPC-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ncc[nH]c-3n2)c1 587094516 AMWNKEIHHYTGME-UHFFFAOYSA-N 332.207 4.009 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587125200 QUELUNWVFYNDJR-TVQRCGJNSA-N 335.333 4.042 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587163924 OXLJMYSSOALDMM-CYBMUJFWSA-N 339.201 4.055 0 1 EIAF COc1ccc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587502633 SEWWQXUALCOAFG-INIZCTEOSA-N 343.810 4.329 0 1 EIAF CCOC(=O)c1coc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531454 GMIYCOBKNGHDLQ-GOSISDBHSA-N 340.375 4.042 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2)N1 587730802 KVNVTHNUTFWTNH-FVMDXXJSSA-N 338.195 4.351 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 587950680 BYKMSJGXQLDOOT-KPPDAEKUSA-N 342.361 4.058 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3ccc(SC)cc3[nH]2)CC1 587951867 JDYMEYJOJRTCFP-HSBZDZAISA-N 334.485 4.363 0 1 EIAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccccc1 653803326 WZGRZKXGQKHXTD-OAQYLSRUSA-N 329.403 4.175 0 1 EIAF CC[C@]1(c2ccc(N)cc2)c2cccc(Br)c2CCN1C 963268963 CJCOSZJBLDBFPL-SFHVURJKSA-N 345.284 4.173 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cnc2ccccc2c1 963611151 PZKXJCUDHLJMST-PEBXRYMYSA-N 348.446 4.050 0 1 EIAF O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)C1CCCCC1 1772650390 FPJKBQIYQAWQML-UHFFFAOYSA-N 335.407 4.454 0 1 EIAF OCc1ccc(-c2cnc3cnc(-c4ccc(Cl)cc4)cn23)cc1 1857593787 QMUJVZQYRKOXOQ-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF C[C@]1(Oc2ccc(Cl)cc2)CCN(CCOc2ccccc2)C1 1857602608 SHXNMYNFGRHTQN-IBGZPJMESA-N 331.843 4.262 0 1 EIAF COc1cc(OC)cc(-c2cccc(-c3nc4ccccc4[nH]3)n2)c1 1911573122 BJMGFGOWHVZLPX-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CC(C)(C)CN1CCOC[C@@H]1c1ncc(-c2cccc(Cl)c2)[nH]1 2356302494 WWICIZFBEMBPEY-MRXNPFEDSA-N 333.863 4.150 0 1 EIAF COC(=O)c1cc2c3c(c(OC)cc2o1)CC[C@H](c1ccccc1)O3 2356705065 SIYMKVZBLRBGSX-OAHLLOKOSA-N 338.359 4.294 0 1 EIAF CC=Cc1ccc(Oc2ccc(C(=O)O)cc2OC)c(C(C)=O)c1 2356830535 JJHLNTQNKLDZHN-UHFFFAOYSA-N 326.348 4.421 0 1 EIAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@@H]3CCC(C)=C[C@@H]32)O1 2356867353 WQXFDBGFWSORFF-TVASPAASSA-N 348.575 4.283 0 1 EIAF Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccncc3)cc12 4563078 CTVOKPAFCNIMHO-UHFFFAOYSA-N 346.434 4.181 0 1 EIAF CC(=O)N1C=C([C@@H]2CCCCN2Cc2c[nH]c3ccccc23)CCC1 5160047 YRVWJJHMGFKSBV-NRFANRHFSA-N 337.467 4.049 0 1 EIAF biogenic COc1nc2cccc([C@@H](O)c3ccccc3)c2nc1-c1ccccc1 6483455 RROUYFJHEBBAKK-NRFANRHFSA-N 342.398 4.387 0 1 EIAF CC(C)c1cc(C=O)c2c(c1O)O[C@H](O)[C@H]1C(C)(C)CCC[C@]21C 15159277 WICUQKGNEKIQJS-CMKODMSKSA-N 332.440 4.123 0 1 EIAF biogenic C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 17326779 CXXAIOQMCGJVHT-HCNLZUIDSA-N 328.452 4.204 0 1 EIAF C[C@H]1CC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 29546434 TVMSYESYJXBYTC-XQBPLPMBSA-N 338.495 4.361 0 1 EIAF Cc1nc2ccccc2n1-c1ccnc(N[C@@H](C)c2ccccc2)n1 45325009 GZYNVKLRWZHXFL-AWEZNQCLSA-N 329.407 4.297 0 1 EIAF Cc1nnc(C(=O)C(F)(F)CCCCCCOc2ccccc2)o1 59181941 IRNOKVNSMMFHMW-UHFFFAOYSA-N 338.354 4.226 0 1 EIAF CN1CCc2cc(NC(=O)Nc3ccnc4c(F)cccc34)ccc21 71335327 KTAXYWQAZGSFPD-UHFFFAOYSA-N 336.370 4.010 0 1 EIAF CCOc1ccccc1-c1ccc(-c2nc3ccncc3c(=O)[nH]2)cc1 73297012 CBKHJJLTEXWXBH-UHFFFAOYSA-N 343.386 4.051 0 1 EIAF CC[C@@H](C)NC(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 84688811 TZELXYVPZOAABL-GFCCVEGCSA-N 339.826 4.479 0 1 EIAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)CC[C@@H]1C/C=C\CCCC(=O)O 95606227 KXUJQSLULBXWEU-YQGAQKBJSA-N 336.472 4.280 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=N)N2)cc1 103262078 CMHDEQZRGGCAIY-PWRODBHTSA-N 333.479 4.430 0 1 EIAF CN(C)CCCNc1nc(-c2cc3ccccc3[nH]2)nc2ccccc12 115759106 TUDBLFNBEBPPHA-UHFFFAOYSA-N 345.450 4.142 0 1 EIAF Cc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 169334043 AEUYRDUBSFOYNV-BLLLJJGKSA-N 338.373 4.128 0 1 EIAF FC(F)(F)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cn1 587036751 LSZKQRVNIJQVHW-LBPRGKRZSA-N 341.383 4.417 0 1 EIAF OCc1ccc(F)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587140028 FJOQMHGJLLQZCK-UHFFFAOYSA-N 342.317 4.473 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O)cc1Cl)O2 587377280 VWNZQDOWWCMAPA-HNNXBMFYSA-N 338.190 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3c(F)cccc31)O2 587385399 CUZLDWWPARQNSV-GOSISDBHSA-N 329.396 4.073 0 1 EIAF C[C@@]1(c2ccc(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505235 LWAFVVOAZJDDBZ-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2c(C)cnc(Cl)c2[nH]1 587787255 MMAGJENUTICBJZ-UHFFFAOYSA-N 343.814 4.052 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccnc1C(=O)OCC 963226313 HRBRELVWZCWKBH-FOIQADDNSA-N 338.451 4.004 0 1 EIAF CN(CCCCN1C(=O)OC[C@H]1c1ccccc1)Cc1ccccc1 1772606015 KDJNUQKPANAGAS-FQEVSTJZSA-N 338.451 4.092 0 1 EIAF NCc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772616309 NCIMPXPDEAEHLM-UHFFFAOYSA-N 344.340 4.365 0 1 EIAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@H]1O 2356409639 OGDIPDDKOOVFTL-SFHLNBCPSA-N 348.483 4.241 0 1 EIAF Cc1cc2cc(C)c(NCCNC(=O)c3ccccc3)nc2cc1C 4848604 IVEXYAOWEYDCJB-UHFFFAOYSA-N 333.435 4.002 0 3 EIAF Cc1ccccc1CN1CCc2nc(Nc3ccccc3)ncc2C1 21639889 NNBHVRGJVSHMQT-UHFFFAOYSA-N 330.435 4.087 0 1 EIAF CCOc1ccccc1-c1nc(O)c2onc(C3CCCC3)c2n1 28357750 GOESVWYTXYEMCF-UHFFFAOYSA-N 325.368 4.047 0 1 EIAF CCn1c([C@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817586 CVUQYNSEARKGIL-NSHDSACASA-N 327.133 4.133 0 1 EIAF Cc1ccc2c(c1C)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884520 DBRNZHZOZJGWFH-UHFFFAOYSA-N 345.398 4.001 0 1 EIAF C[C@@H]1CCCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)C1 29331152 FJUGEZQGFZIEGC-CYBMUJFWSA-N 328.843 4.390 0 1 EIAF COc1ccc2nc(-c3cccc(C)n3)nc(Nc3ccncc3)c2c1 45192109 LWGGWWDJGWOIJI-UHFFFAOYSA-N 343.390 4.147 0 1 EIAF CNc1ncc(-c2cccc(C(=O)O)c2)nc1N[C@H](C)c1ccccc1 96284803 NRUYOXKOMBELMP-CYBMUJFWSA-N 348.406 4.057 0 1 EIAF COC(=O)[C@@H]1[C@H](c2cccc(-c3ccsc3)c2)C[C@H]2CC[C@H]1N2C 100999542 OECDZVROWVHNGS-FCGDIQPGSA-N 341.476 4.154 0 1 EIAF CCn1c(=S)n(-c2ccc(Br)cc2)c(=S)n1CC 103190497 XPBKCPHVZPXRJU-UHFFFAOYSA-N 344.303 4.342 0 1 EIAF Cc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3CC3(F)F)ncc2c1 144644544 DMUUIELIZUQQGM-INIZCTEOSA-N 339.345 4.199 0 1 EIAF CO[C@@H]1C[C@@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1N2C 169356292 ODOVOZRQRRUTGF-XSDIEEQYSA-N 337.463 4.043 0 1 EIAF COc1c(O)cc(/C=C\c2cc(O)cc(O)c2)cc1CC=C(C)C 222850368 XBACNDJIFDUGFM-WAYWQWQTSA-N 326.392 4.491 0 1 EIAF CN1C(=O)CC[C@H]2C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCO1 299819496 BPRIGTHVTULYGO-NWUJQAFJSA-N 329.484 4.134 0 1 EIAF Cc1ccc(SCc2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1 586964929 ONUPCWMFUMXMPZ-UHFFFAOYSA-N 326.421 4.243 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587042842 NGTSPHDWKMMGNR-QGZVFWFLSA-N 338.432 4.058 0 1 EIAF Clc1ccccc1OCc1ccc(-c2nc3ncccc3[nH]2)o1 587065366 YLBVLCKVNUHONQ-UHFFFAOYSA-N 325.755 4.450 0 1 EIAF Oc1nccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587123029 AUMQLWMWIDXZPG-ZZXKWVIFSA-N 337.326 4.446 0 1 EIAF Fc1nc(Cl)ccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587177671 SQWBZTYKVVSMPI-UHFFFAOYSA-N 331.656 4.316 0 1 EIAF O=NCc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587190091 JIAWEQVJZJQZDW-UHFFFAOYSA-N 334.148 4.398 0 1 EIAF CC[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417629 DHSDYNFRROFEMP-DNVCBOLYSA-N 328.795 4.402 0 1 EIAF CN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587512979 HEFCTJHCEVGNGN-JOCHJYFZSA-N 333.431 4.266 0 1 EIAF CCOC(=O)C[C@@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523684 MCKLROBLLIOZDW-OAQYLSRUSA-N 344.451 4.269 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)o1 587552289 PTLIFFGTQUFGLZ-CRAIPNDOSA-N 342.734 4.342 0 1 EIAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586481 ILJLDMHVFIBASQ-NQIIRXRSSA-N 347.370 4.053 0 1 EIAF O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637745 PDHZPSVTFNYDLV-UHFFFAOYSA-N 339.294 4.177 0 1 EIAF COc1ccc(CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873966 QONJEYNICWKAGU-UHFFFAOYSA-N 338.338 4.077 0 1 EIAF O=C(NCc1ccccc1)c1cccc2oc(-c3ccccc3O)nc12 653708755 PGGKJQZCWWZAIC-UHFFFAOYSA-N 344.370 4.130 0 1 EIAF CC(C)COc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1 653849885 KAOKRVGFJLGJRV-UHFFFAOYSA-N 336.391 4.272 0 1 EIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](C2CCCCCC2)N1 962981546 VEAOIVJSIGJDNI-CJNGLKHVSA-N 343.801 4.229 0 1 EIAF CC(C)CCOc1ccccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963130619 LEEVYSIZTNKZCD-HXUWFJFHSA-N 339.435 4.045 0 1 EIAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@]3(CC(=O)O1)C2 2356846222 OLJRAFPOAGIZKX-GTWBZJPCSA-N 334.456 4.170 0 1 EIAF N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1C=CC=C[C@H]1[C@H]2CCCC[C@H]2C[C@H]1N 2356861326 UHRBQJCDCXMZHK-QXOHZNJTSA-N 328.544 4.406 0 1 EIAF O=C(NCc1ccccc1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 72120538 WCEGQESZTCFTBP-UHFFFAOYSA-N 345.324 4.026 0 3 EIAF CNc1nc2cnc(Nc3cccc(Cl)c3)cc2n1CC1CC1 74388790 FNTSOANGYOTXMP-UHFFFAOYSA-N 327.819 4.280 0 3 EIAF O=C1c2ccccc2[C@@]2(c3ccc(Cl)c(Cl)c3)SCCN12 6583018 NSUCSRJBQABYAK-MRXNPFEDSA-N 336.243 4.397 0 1 EIAF CCc1oc([C@H](C)C2=C(C)C(=O)[C@H](C)[C@@H](CC)O2)c(C)c(=O)c1C 14827308 OEORVMFHSLFRIC-VCTAVGKDSA-N 332.440 4.211 0 1 EIAF biogenic CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 34801434 ZAZGULUMJMBMJD-QPZSCLIPSA-N 331.500 4.009 0 1 EIAF O=C1Nc2ccccc2Nc2cc(-c3ccccc3C(=O)O)ccc21 71788610 BERNBUJHNYPIEH-UHFFFAOYSA-N 330.343 4.361 0 1 EIAF CCCNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1 73292370 IDPCKTWXIMZSMZ-UHFFFAOYSA-N 336.317 4.117 0 1 EIAF COc1cccc(-c2n[nH]c3ccnc(-c4cc(F)ccc4OC)c23)c1 74388765 PBEKIWVCYIMUQG-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF O=C(CCCN1CCCCC1)NCCCCc1ccc(Cl)cc1 96939850 HSQFFEOGIPCZIJ-UHFFFAOYSA-N 336.907 4.045 0 1 EIAF O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2cn[nH]c2)cc1 145213697 LIKHRPJMIIDTOS-UHFFFAOYSA-N 326.787 4.052 0 1 EIAF Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc([C@H]2CCCC[C@@H]2C)n1 148888518 JQWXFCIJCDFZKC-GWCFXTLKSA-N 340.406 4.233 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CCC[C@H](C(=O)O)[C@@]12C 238766531 YOHUCVRCSMMGNP-ZEDWEPIESA-N 346.423 4.202 0 1 EIAF O=c1c(-c2ccc(O)cc2)cn(Cc2ccccc2)c2cc(O)ccc12 299832640 QHYYJIGAAHDKQB-UHFFFAOYSA-N 343.382 4.128 0 1 EIAF N[C@H](c1ccsc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587025492 NAPYXCCMTCRJRU-LLVKDONJSA-N 329.372 4.284 0 1 EIAF Fc1cc(Br)c(Cl)cc1-c1nc2cccnc2[nH]1 587137846 OFJSXCKFEQWMNL-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1ccc(NC2(c3nc4cnc(Cl)[nH]c-4n3)CCCC2)cc1 587237558 TVNCNVDKZHCGEA-UHFFFAOYSA-N 327.819 4.148 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](Oc3ccccc3)C1(C)C)O2 587404609 YHCPSSNQRSUWGG-NQIIRXRSSA-N 337.419 4.159 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)c(OC)c1)CC2=O 587476821 GKAZHTIXRNDOJC-LJQANCHMSA-N 326.392 4.368 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nccc(C)c13)CC2=O 587488254 ZEEKHTYEDGNNPJ-QGZVFWFLSA-N 336.391 4.236 0 1 EIAF COc1c(F)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501226 AQXYMNYOZRZUPL-GOSISDBHSA-N 326.367 4.420 0 1 EIAF CC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587702642 FDOJJAFDRXNZKT-KRTXAFLBSA-N 340.158 4.290 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587785920 POYCZFNHHJRFNR-CVEARBPZSA-N 343.386 4.055 0 1 EIAF COc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1Cl 587787817 PIBJBPWYCXQRQR-UHFFFAOYSA-N 332.787 4.218 0 1 EIAF CC(C)([C@@H]1NC2(CC2)Cc2ccc(Br)cc21)N1CCCC1 961617840 WVFGPGNPVXXPLC-MRXNPFEDSA-N 349.316 4.043 0 1 EIAF CC[C@@H](O)/C=C/C=C\C[C@H]1C[C@H]1C/C=C\C=C\[C@@H](O)CCCC(=O)O 1857744574 JOZYAAOQAUEVRO-GXQAGPCOSA-N 348.483 4.014 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C=C(CO)[C@@H](CC[C@@H]32)C4)C1(C)C 2356533359 AWZPBJFLHAFGDK-UTVVOSDBSA-N 346.511 4.489 0 1 EIAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45CCC[C@H]4[C@@]2(CCC(=O)O)[C@H]1N35 2356665156 WONKRVWAUGXLFM-DLQWHNFBSA-N 331.500 4.309 0 1 EIAF COc1cccc([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 61904291 DSMINOJICCZECG-HXUWFJFHSA-N 330.387 4.320 0 3 EIAF C[C@H]1[C@@H](NCC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713380 LLSURBULOYHFJX-BOFXEDATSA-N 332.532 4.116 0 3 EIAF Fc1ccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)nc1 27107034 IKJMJDPMGHFSNH-UHFFFAOYSA-N 330.366 4.246 0 1 EIAF CCN(CC)CCCNc1ccnc2ccc(C(F)(F)F)cc12 28137383 SVLZJDVUMJOZEM-UHFFFAOYSA-N 325.378 4.397 0 1 EIAF Clc1cccc(Cl)c1C[C@@H](c1ccccc1)N1CCNCC1 36093212 QYPSCQLKEMPYGY-SFHVURJKSA-N 335.278 4.182 0 1 EIAF COC1=CC[C@H](CCN2C(=O)CS[C@H]2c2ccc(C)c(C)c2)C=C1 38147810 SDSADBCGGXETBG-UZLBHIALSA-N 343.492 4.374 0 1 EIAF CCOc1cc2c(cc1O)C(=O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 58507888 MWMQARHZUCGXAL-GKTODWEJSA-N 344.451 4.038 0 1 EIAF CCCCNc1ncc(C(=O)N[C@@H](C)CC)c(-c2ccc(F)cc2)n1 82140583 HBLHCDGTQKCHMB-ZDUSSCGKSA-N 344.434 4.023 0 1 EIAF COc1ccc([C@@](O)(c2cccnc2)c2cc3ccccc3o2)cc1 89464408 RYJWFCXYUSYRLE-OAQYLSRUSA-N 331.371 4.121 0 1 EIAF CCn1c(=S)s/c(=N\c2ccc(Br)cc2)n1CC 103190520 NJRBUPKWLQUDOC-KAMYIIQDSA-N 344.303 4.115 0 1 EIAF CC1(C)C(Cl)(Cl)[C@@]1(C)C(=O)NCCc1csc(Cl)c1 103272411 WTEFQIHPKLSIOX-LBPRGKRZSA-N 340.703 4.280 0 1 EIAF C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N 169688145 DMZIRWOKFVEFRU-AAVRWANBSA-N 336.439 4.316 0 1 EIAF Oc1nc2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc2[nH]1 587085691 BEDIXICNTWMPAK-UHFFFAOYSA-N 335.754 4.013 0 1 EIAF O=C(c1nc2c(F)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133565 SSWXGXDMHFJREG-UHFFFAOYSA-N 327.117 4.379 0 1 EIAF Cc1cncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137531 ATIOUQLYYUHIJZ-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OC)CC2=O 587480913 OVTPIPXTBZFPFI-SFHVURJKSA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](O)c3ccccc31)CC2=O 587487410 ZQTQBDCPPCENJQ-NQIIRXRSSA-N 338.403 4.033 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)CCCCC(=O)O)CC2=O 587490809 RSFNMFPXMRCOJX-ZUOKHONESA-N 348.439 4.350 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2)c1 587930606 DRZQPVMUXDGUNA-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF Cc1c([C@@H]2c3ccsc3CCN2Cc2ccco2)nc2ccccn12 962718922 WWZKXPKWGFTKOA-FQEVSTJZSA-N 349.459 4.445 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc2cn(C)nc2c1 963221839 AWWAFJMOAJIAKK-AOMKIAJQSA-N 333.479 4.493 0 1 EIAF C[C@@H](Oc1ccccc1)[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963354651 XSALZAVUPKHPIB-UZUQRXQVSA-N 345.442 4.249 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C)c(F)c(C)c1 963613218 UPWBUIKVQGMXKE-RBZFPXEDSA-N 329.415 4.083 0 1 EIAF O=C(Nc1ccc(-c2nnc(O)c3ccccc23)cc1)c1ccccc1 1772569895 RENUXSODWRPLNA-UHFFFAOYSA-N 341.370 4.255 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 2356489267 QSXNOUPYXMWUKT-QCXRJLFJSA-N 332.440 4.108 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C)[C@@]12C 2356645586 WPNXICJHRZQRMC-LDRHYZDKSA-N 332.440 4.252 0 1 EIAF CC(=O)c1ccc(O[C@]2(C)CCN(Cc3cc4ccccc4[nH]3)C2)cc1 61927089 RGLCRTHQVCGETR-JOCHJYFZSA-N 348.446 4.414 0 3 EIAF Cc1ccc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)s1 3637292 IVFUUGAUZLABJK-UHFFFAOYSA-N 343.448 4.265 0 1 EIAF CN1CCN(C2=Cc3cc(Cl)ccc3Oc3ccccc32)CC1 13738223 QXTCIQSORSSPSR-UHFFFAOYSA-N 326.827 4.191 0 1 EIAF O=c1cc(CCCCCCc2ccccc2)oc2c1CCC[C@@H]2O 14723950 XHSZGHYQJFZVDN-IBGZPJMESA-N 326.436 4.355 0 1 EIAF biogenic COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1 26567476 VTLHRNPKSRBZBF-UXHICEINSA-N 348.446 4.248 0 1 EIAF CN1CCN(C2=Nc3cc(Cl)ccc3Sc3cscc32)CC1 29336335 IFYXGXDRWYWMOJ-UHFFFAOYSA-N 349.912 4.192 0 1 EIAF CN(Cc1ccccc1)C(=S)N1CCC(c2cccc(Cl)c2)=N1 40828607 LGCQUBQIDPGHHH-UHFFFAOYSA-N 343.883 4.167 0 1 EIAF O=C(Cc1ccc(-c2ccccc2)c(F)c1)Nc1cc(C2CC2)[nH]n1 40949766 ZXSYFAVSCAKWOK-UHFFFAOYSA-N 335.382 4.274 0 1 EIAF O=C(O)CCc1ccc(OCc2cccc(-c3nccs3)c2)cc1 59871266 JIOCCZBATKWFNI-UHFFFAOYSA-N 339.416 4.406 0 1 EIAF O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1 63539451 MMCKPBBXKNYZPT-UHFFFAOYSA-N 330.840 4.070 0 1 EIAF COc1ccc(-c2cnc3ccc(-c4cccc(F)c4)nn23)cc1OC 74385909 UXVHAQCZJMRIJV-UHFFFAOYSA-N 349.365 4.220 0 1 EIAF COc1ccc([C@H]2OC(c3ccc4ccccc4c3)=NN2C(C)=O)cc1 82154102 DDCJBXAKXHRRIL-OAQYLSRUSA-N 346.386 4.088 0 1 EIAF Cc1nc(NCCc2ccncc2)cc(-c2ccc3ncsc3c2)n1 141915442 OZAAQKDJZOAZMI-UHFFFAOYSA-N 347.447 4.111 0 1 EIAF CCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 212283836 SJBGJXBZVGMLLE-UHFFFAOYSA-N 329.831 4.315 0 1 EIAF COC(=O)C1=C(C)[C@@H]2CCc3cc(C(C)(C)O)ccc3[C@@]2(C)CC1 238736665 XYNIRRMXUOEHCW-UWJYYQICSA-N 328.452 4.017 0 1 EIAF O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2ncccc12 584639332 QIFLEBFQNFAPSK-UHFFFAOYSA-N 338.785 4.444 0 1 EIAF COc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Cl 586904682 YFGBFMPYPQLCIB-UHFFFAOYSA-N 330.771 4.312 0 1 EIAF O=C1O/C(=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 586906060 HUKJZXJVQCDZKQ-AUWJEWJLSA-N 348.255 4.389 0 1 EIAF Cc1nc2[nH]c(-c3sc(C4CC4)nc3C)nc2cc1Br 587011450 GSUUEVJUJSCNHK-UHFFFAOYSA-N 349.257 4.338 0 1 EIAF OCc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587076340 LFKHRAVIWKNJKF-GOSISDBHSA-N 341.842 4.046 0 1 EIAF FC(F)(F)c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cn1 587109562 YSBUJQONHUBEDQ-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cc(F)cc2[nH]1 587147408 LPQDOXBTZXRODK-UHFFFAOYSA-N 346.287 4.187 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587175443 DNPOVMXHSMRAIR-UHFFFAOYSA-N 331.565 4.043 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@H]4CCCCO4)o1)[C@@H](C2)C3=O 587452104 DFVMBMZWPKDVSD-LRDNONRASA-N 340.375 4.019 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)nc1Cl)CC2=O 587459637 FAZZXILCEAZVFM-MRXNPFEDSA-N 331.799 4.408 0 1 EIAF O=C1C[C@@H](c2ccc3cccnc3n2)Oc2c1ccc1c2CCCC1 587527920 VKSTUHHJZOFNCU-IBGZPJMESA-N 330.387 4.215 0 1 EIAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587639071 UGVYPNSTGOQEAQ-UHFFFAOYSA-N 343.766 4.363 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1nc2cc(Cl)ccc2s1 587653816 LVFJRRCKAYWOHR-UHFFFAOYSA-N 348.214 4.302 0 1 EIAF CCCn1cc([C@]2(C)c3ccsc3CCN2Cc2ccco2)cn1 962711674 ULRFGHSJWQBVPZ-LJQANCHMSA-N 341.480 4.269 0 1 EIAF CS(=O)(=O)Nc1cc(Cc2ccc(Cl)cc2)c2ccccc2c1 1857570047 ZDEUQFHYPHDVBF-UHFFFAOYSA-N 345.851 4.456 0 1 EIAF COc1cccc(C(=O)Nc2cccc(Oc3ccc(O)cc3)c2)c1 1857749417 VRPXODBSSLRBRC-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF C[C@]12CC[C@@H]3C(=O)O[C@H](c4ccco4)C[C@@]3(C)[C@H]1CCC=C2C(=O)O 2356407085 OVBSRGHUSFLVGK-GFDPAEIDSA-N 344.407 4.111 0 1 EIAF COCCO[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 254018031 QMWXAQBRHJMZPT-FYYUJBKDSA-N 348.527 4.342 0 3 EIAF Cc1sc(NC(=O)C(F)(F)F)nc1C12CC3CC(CC(C3)C1)C2 4174447 OJZAAWGPDLHEGE-UHFFFAOYSA-N 344.402 4.420 0 1 EIAF COc1c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c1C(C)=O 13307725 ZTJWTHCRXKCBJH-UHFFFAOYSA-N 334.412 4.047 0 1 EIAF biogenic,in-vitro Cc1ccc(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)c(C)c1 13684730 WBSARPOKJMQYHO-LJQANCHMSA-N 344.886 4.380 0 1 EIAF C=C1[C@H](OC(=O)C=C(C)C)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)C[C@@H]12 14452557 DALHBHBVKMUAGC-KXENWXKVSA-N 334.456 4.358 0 1 EIAF biogenic COc1ccc(SC)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938138 ZNDUAKAGHPMVGL-ICSRJNTNSA-N 342.508 4.000 0 1 EIAF CN(C)c1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 35995868 QUDGXOHFOGCJQI-UHFFFAOYSA-N 342.398 4.216 0 1 EIAF CC(C)Oc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1 62260290 QBANENJDMOUUJE-UHFFFAOYSA-N 330.391 4.246 0 1 EIAF Cc1nnc(-c2ccc(-c3cccnc3)cc2)n1-c1ccccc1F 96283524 IYQZLJJOVXUIJZ-UHFFFAOYSA-N 330.366 4.444 0 1 EIAF c1cc2cc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)ccc2[nH]1 114335496 PBHMZFQBWANQMI-IBGZPJMESA-N 345.450 4.121 0 1 EIAF O=N/C=C1\C=CN(C/C=C/CN2C=C/C(=C\N=O)C(F)=C2)C=C1F 140328797 CLTIDBHIBLBHQS-RSBVCOHDSA-N 332.310 4.124 0 1 EIAF Fc1ccc(OCCCn2c3c(c4cc(F)ccc42)CNCC3)cc1 169350508 IZKIWWBVMMHJSH-UHFFFAOYSA-N 342.389 4.034 0 1 EIAF CO[C@H](C)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1 216023424 ICTZDPPAMKGTKY-SECBINFHSA-N 330.771 4.289 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCCC=C12 253703355 OVURERDJMLXMHG-XBNJKRACSA-N 330.468 4.450 0 1 EIAF CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)OCO3 586970508 FYFSCDGSJZYFQO-UHFFFAOYSA-N 339.233 4.482 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587002961 IPHJLELWNWLWSG-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Cc1ccc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F 587146537 PHURAOFJQHKONS-TWGQIWQCSA-N 339.414 4.121 0 1 EIAF COc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587205331 PMBSDPMNOZEKPW-HNNXBMFYSA-N 347.459 4.053 0 1 EIAF O[C@](Cc1cc2c3c(cccc3n1)CC2)(c1ccccc1)C(F)(F)F 587210183 IMHGBGKPXNKGFT-LJQANCHMSA-N 343.348 4.326 0 1 EIAF COc1cccc2cc(-c3cc4c5c(cccc5n3)CC4)c(=O)oc12 587216902 QCZOVHMDAPHQTI-UHFFFAOYSA-N 329.355 4.115 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426529 DCCXIXPAVBRYLC-XGHQBKJUSA-N 338.378 4.288 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC[C@](C)(c4ccccc4)C1)[C@@H](C2)C3=O 587448153 ZOLBKJLXTFCOLO-HSQYWUDLSA-N 334.415 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(O)cc1F)CC2=O 587465008 DWUQRTHRSIGBRK-KRWDZBQOSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCOCc1ccccc1)CC2=O 587483357 QEGALJJVOFLSGB-MRXNPFEDSA-N 340.419 4.285 0 1 EIAF O=C1C[C@H](c2[nH]ccc2Br)Oc2c1ccc1c2CCCC1 587496191 HJTXHOUVPXEYPH-OAHLLOKOSA-N 346.224 4.363 0 1 EIAF O=C1C[C@@H](c2c(O)ccc(F)c2F)Oc2c1ccc1c2CCCC1 587508466 VWCHPBVQTHSYSJ-INIZCTEOSA-N 330.330 4.256 0 1 EIAF O=C1C[C@]2(CCC[C@@H]([C@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 587536880 XUWFXUQGBWWGBI-HYFFOGBASA-N 340.463 4.496 0 1 EIAF CCOC(=O)Cc1c(-c2ccccn2)[nH]c2cc(Cl)c(F)cc12 587631670 GSHHZSYWQCYXAU-UHFFFAOYSA-N 332.762 4.128 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C[C@H](N)C(=O)O)c2c1 587642046 IZBOIKSLWDDESZ-ACJLOTCBSA-N 336.435 4.303 0 1 EIAF COc1cccc(C)c1-c1nc2ccc(F)c(Br)c2[nH]1 587787504 VTYMOWAIPOWXPV-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587931791 SZWQXCJFQBZBPY-MLCYQJTMSA-N 332.325 4.434 0 1 EIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(CO)c2)n1 653670160 TUDRFNVGGZJOAG-HXUWFJFHSA-N 345.446 4.434 0 1 EIAF N[C@H](N=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 958524360 WGQHNMYRCSUPHK-LLVKDONJSA-N 331.681 4.270 0 1 EIAF CCc1ccc([C@@]2(c3cccc(C)n3)NCCc3c(C)ccnc32)cc1 963077154 VLQNHBXWLUYKHO-QHCPKHFHSA-N 343.474 4.093 0 1 EIAF COc1ccc([C@H]2CC[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857577440 TVVULHQQZQSLNZ-HUUCEWRRSA-N 344.407 4.088 0 1 EIAF O=C(CCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccccc1 1639770 SOOGRYSPVROLLT-NRFANRHFSA-N 348.490 4.177 0 1 EIAF c1cn(-c2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cn1 13517740 KWZPUVRDGFRYKX-UHFFFAOYSA-N 347.462 4.437 0 1 EIAF CCN(CC)CC1=N[C@](C)(c2ccccc2)c2ccccc2CN1C 13600348 ODKXAZPYNHASHA-JOCHJYFZSA-N 335.495 4.136 0 1 EIAF COc1ccc([C@@H]2CCN(C(=O)OC(C)C)C2)cc1OC1CCCC1 13741102 YZYWOOSGMNBVOB-MRXNPFEDSA-N 347.455 4.351 0 1 EIAF O=c1ccc(Sc2ccccc2F)nn1-c1ccccc1Cl 14961528 QQEWAIUOEYEOLT-UHFFFAOYSA-N 332.787 4.176 0 1 EIAF C1=C(/C=C/c2ccccc2)CCN(CCc2cc3cccnc3[nH]2)C1 27650201 ZCOIFCGQTTYDFL-CMDGGOBGSA-N 329.447 4.451 0 1 EIAF CC1CCN(C(=O)c2cccc(Nc3ccccc3Cl)n2)CC1 29050375 LKNVLSBCJNLQIJ-UHFFFAOYSA-N 329.831 4.351 0 1 EIAF CC(C)c1ccccc1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 40567004 SGDXXURZVQCRJL-UHFFFAOYSA-N 337.272 4.167 0 1 EIAF CN(C)CCC[C@@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 45261904 JVHLJFODPFQESI-GOSISDBHSA-N 330.859 4.153 0 1 EIAF COc1cc(C(=O)c2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC 45284966 SPSARRDKHOBBNY-UHFFFAOYSA-N 345.782 4.078 0 1 EIAF C[C@@H](c1ccccc1)N1CCC2(CC1)O[C@@H](CCO)c1ccccc12 66258313 IXURNWHCTYEQAY-UWJYYQICSA-N 337.463 4.193 0 1 EIAF Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 73239729 TYJIKVPYZAVEMZ-UHFFFAOYSA-N 348.849 4.070 0 1 EIAF CCC/C=C\COC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169363337 VYMTVUHJJJHELN-ADTRQCEGSA-N 336.472 4.354 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=CC3=CC[C@@H]12 238743110 MNVNTVWDBWQQCE-DEPWHIHDSA-N 332.484 4.410 0 1 EIAF CCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)SC 299853898 RQILNTUMDLZRIQ-HZPDHXFCSA-N 326.502 4.396 0 1 EIAF CCc1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 586916928 PMQIDNCWLPELME-IERDGZPVSA-N 334.419 4.342 0 1 EIAF Fc1cc(Br)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 587161259 NZJANEAGZFLEGM-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF O=NCc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587190357 NHQCDHHHSRSYJO-UHFFFAOYSA-N 334.148 4.398 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)c(C)c1C)[C@@H](C2)C3=O 587444718 TZTSNDRFKCNMHG-BTYIYWSLSA-N 338.403 4.118 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccnc3c1O)CC2=O 587486453 BXZRIPHKIQOPDZ-GOSISDBHSA-N 349.386 4.305 0 1 EIAF Cc1c[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590186 RTSFREVDGCTRJM-GHTZIAJQSA-N 349.386 4.214 0 1 EIAF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Cl)cc1 587633231 VZDRFTHFRMJEJY-UHFFFAOYSA-N 345.757 4.368 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCSCC2)N1 587857721 MUOKYOJRKODQDV-BJOHPYRUSA-N 344.293 4.307 0 1 EIAF CCCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865043 TVJSSGGCOZJDNA-UHFFFAOYSA-N 326.318 4.408 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccccc1 587871983 RQVJUTPTUJYRDS-UHFFFAOYSA-N 325.343 4.168 0 1 EIAF O=C(c1ccccc1-n1cccc1)n1nc2cc1Oc1ccc(F)cc1-2 587875502 PGAZVXZVVDURDG-UHFFFAOYSA-N 345.333 4.274 0 1 EIAF COC(=O)Nc1noc2cc(-c3c(-c4ccccc4)n[nH]c3C)ccc12 1772655187 LOWITESSPBJXMV-UHFFFAOYSA-N 348.362 4.372 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@@H](C)[C@@]21C 2356582348 GBHOTPKNLQPMRP-RCPOKICQSA-N 330.424 4.028 0 1 EIAF CC=CC[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356615847 LTSBAPIBOQOBOR-KUHUBIRLSA-N 342.391 4.151 0 1 EIAF COc1cccc(-c2ocnc2C(=O)Nc2ccc3c(c2)CCC3)c1 5002022 LLFZGIGAXHETCT-UHFFFAOYSA-N 334.375 4.091 0 3 EIAF O=C(CCCCCCC(=O)Nc1nccs1)Nc1ccccc1 13587782 RFEFMPTWMIKCRC-UHFFFAOYSA-N 331.441 4.061 0 1 EIAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2C2CC2)cc1 27198544 KCPWWDSRPQMOTH-NHCUHLMSSA-N 335.447 4.380 0 1 EIAF COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1cccc(Cl)c1)CC2 28826634 QAFJHLCIEWMCCH-CYBMUJFWSA-N 345.826 4.416 0 1 EIAF CC(=O)Oc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3n2C)cc1 29227703 TYEMWNMDELHGCD-UHFFFAOYSA-N 337.375 4.004 0 1 EIAF CCOc1cc2c(cc1O)C(=O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 39051530 MWMQARHZUCGXAL-XVIKQZNXSA-N 344.451 4.038 0 1 EIAF COc1ccc2nc(CCc3cc4c(cc3Cl)OCO4)oc2c1 40891970 VOLHEWNUKJNJPG-UHFFFAOYSA-N 331.755 4.004 0 1 EIAF CC(=O)Oc1ccc([C@H](OC(=O)C(C)(C)C)c2ccccc2)cc1 40980829 QPRDGAHZJZKWTC-GOSISDBHSA-N 326.392 4.291 0 1 EIAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3cccc(Cl)c3)cc2)S1 45393741 XXWPQIVZDCBDEM-CQSZACIVSA-N 333.796 4.026 0 1 EIAF CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1ccccc12 66136466 BXNOABVERIFQPY-DYESRHJHSA-N 335.403 4.038 0 1 EIAF CO[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CC[C@]1(C)O 72113239 UPAIMEGFTSSJTL-NIPFVUDUSA-N 348.483 4.241 0 1 EIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(C)cc3)C2)cc1 73295082 VPPXRIQJRSEVGR-GOSISDBHSA-N 349.459 4.084 0 1 EIAF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2cccc(C)c2)n1 82145984 YPLXATQAVCOJIW-OAHLLOKOSA-N 340.471 4.192 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(F)cccc3CC[C@@H]21 100620819 IFAMBMVGFAAIHL-XLIONFOSSA-N 348.421 4.419 0 1 EIAF CC(C)(C)c1cc(Nc2ccccc2C(=O)O)nc(-c2ccccn2)n1 103854713 QYTDGENWCWCNQI-UHFFFAOYSA-N 348.406 4.278 0 1 EIAF c1ccc2c(CCO[C@@H]3CCCC[C@@H]3N3CCOCC3)csc2c1 114824512 XMETTZAVKMMHKX-RBUKOAKNSA-N 345.508 4.104 0 1 EIAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC1 169360962 YFOLGCJWYIGIKF-XGTYAZQLSA-N 331.500 4.343 0 1 EIAF COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1C=CC=C[C@@H]12 195417096 OVHUTOPKMFWCLP-IWXIMVSXSA-N 342.049 4.006 0 1 EIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccccc3[nH]2)c1 586914432 IUIURBQWHUGWAF-UHFFFAOYSA-N 330.343 4.331 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(F)cc2[nH]1 586963592 OVJOFQNTVGARSI-ZDUSSCGKSA-N 332.404 4.058 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)c1 587232715 ARSMRYIGWCWWMH-UHFFFAOYSA-N 341.418 4.223 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587245150 YUADUEIVRCKXNE-UHFFFAOYSA-N 333.725 4.286 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 587250951 UNZYYCOUFRXTSJ-UHFFFAOYSA-N 329.359 4.177 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4ncccc4C)C1)[C@@H](C2)C3=O 587435241 DUJNXTOQNDHIGK-UVQUFPMPSA-N 349.430 4.243 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1NCCC3)CC2=O 587485672 QHGLDEGZOQCJEC-LJQANCHMSA-N 337.419 4.409 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587773961 SUJKNNNEJVMJNM-DIFFPNOSSA-N 349.247 4.224 0 1 EIAF Cc1nc([C@H]2c3ccsc3CCN2Cc2cccn2C)ccc1F 962377374 WNOQOCJTEYJENT-LJQANCHMSA-N 341.455 4.077 0 1 EIAF CN(C(=O)[C@@H](C1CC1)[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 203466884 XTYQKAMPKJLVIQ-ROUUACIJSA-N 329.827 4.063 0 3 EIAF COc1cc2ncnc(N(C)c3cccc(Cl)c3)c2cc1OC 3815273 PTUPCFNKXDILSA-UHFFFAOYSA-N 329.787 4.068 0 1 EIAF O=c1[nH]cccc1[C@](/C=C/C1CC1)(OCc1ccccc1)C(F)(F)F 5974550 MCBDKUVEATYQOO-ZGKFYVQTSA-N 349.352 4.316 0 1 EIAF COc1ccc([C@H]2CCCc3nc4ccccc4c(N)c32)c(OC)c1 26666722 RZDBSHNOZSDGTB-OAHLLOKOSA-N 334.419 4.302 0 1 EIAF CC(C)c1ccc(/C(=C/C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28769008 ODWZNBOTFNAHQY-VPEZWSJASA-N 345.389 4.322 0 1 EIAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c[nH]nc2c1O 36185166 XOSDBCNLJLOERI-UHFFFAOYSA-N 345.358 4.313 0 1 EIAF CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 38208422 DINOQTNPFRDVRK-AWEZNQCLSA-N 343.298 4.120 0 1 EIAF CSc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 53201349 CDTFTOYVXYHDPZ-FZKQIMNGSA-N 335.900 4.316 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169338805 NNSRXNWUJQJDLG-UNKSHEDESA-N 347.543 4.094 0 1 EIAF O=C1CCC[C@H](c2nc3cc(Br)c(F)cc3[nH]2)CC1 586883906 IDNPNLGSZABMDS-QMMMGPOBSA-N 325.181 4.081 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c32)n1 586907784 XCZBSQWJCUMSEU-LICLKQGHSA-N 327.343 4.088 0 1 EIAF Clc1cncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029802 UVYRONRYCJDTLY-UHFFFAOYSA-N 342.811 4.314 0 1 EIAF COc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1OC 587087685 NPCFMQCQPKMQNM-UHFFFAOYSA-N 327.771 4.382 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3ccc(Br)cc3F)nc12 587142840 NFHZAINXWSSXLQ-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(C)cc1 587207781 VRBCQQXICPTAPH-HNNXBMFYSA-N 345.805 4.084 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(O)c1Cl)O2 587375399 MIUZOAQVKKUHBU-CYBMUJFWSA-N 338.190 4.296 0 1 EIAF CCCc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452199 RGODDDFRPHNRPQ-AUUYWEPGSA-N 328.433 4.372 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1Cl)CC2=O 587459550 DATVSXGWTNLVHQ-SFHVURJKSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCOC)c1)CC2=O 587480830 PLRSBAOOBVXCGL-LJQANCHMSA-N 342.391 4.034 0 1 EIAF O=C1C[C@@H](c2c(F)ccc(O)c2F)Oc2c1ccc1c2CCCC1 587505154 KXCVKVCUAVBOIQ-INIZCTEOSA-N 330.330 4.256 0 1 EIAF CNc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746011 YKXROHHZLBWLDI-BTDLBPIBSA-N 349.247 4.254 0 1 EIAF Cc1ccc([C@]2(C)NCCc3c2c(C(C)C)nn3C)c2ccccc12 962915761 BNJFJNDAXRMPID-QFIPXVFZSA-N 333.479 4.414 0 1 EIAF CN(C)C1([C@H]2NCCc3c(Cl)cc(Cl)cc32)CCCCC1 963120590 KUTFPPHVVNUAJP-INIZCTEOSA-N 327.299 4.445 0 1 EIAF O=C(c1cc(Br)c[nH]1)c1cc(Cl)cc(Cl)c1O 1772581319 APAFOBLDGCELAL-UHFFFAOYSA-N 334.984 4.021 0 1 EIAF CN(C)CCN(C)Cc1ccccc1Sc1ccccc1Cl 1772586114 HZKPBBZAJYENSS-UHFFFAOYSA-N 334.916 4.485 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@]12C 2356334069 YXIXITUSOJUAND-CQIBZYCNSA-N 330.424 4.305 0 1 EIAF O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1ccccn1 5128628 FCEGGCGVXJLBJS-CQSZACIVSA-N 325.220 4.167 0 3 EIAF CCOC[C@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568446 UOFWRCJSMZKWLE-URUIJOEXSA-N 328.452 4.080 0 1 EIAF in-vivo Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1C 32256629 ZRUSCGBDCRGODS-OAHLLOKOSA-N 331.213 4.024 0 1 EIAF COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 36338686 XMGHVSPHMWBXSL-UHFFFAOYSA-N 347.418 4.142 0 1 EIAF CCNC(=S)Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC 45259822 BNFUNBNSUMKTMH-UHFFFAOYSA-N 348.493 4.207 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1ncccn1)c1ccccc1Cl 72103869 PSXHJQYXJSXTRR-QGZVFWFLSA-N 331.202 4.068 0 1 EIAF Nc1nc(COC(=O)c2c(Cl)cc(Cl)cc2Cl)cs1 82157287 SMDRXWLCOHUUFT-UHFFFAOYSA-N 337.615 4.043 0 1 EIAF CC(C)(C)[C@H](NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 84672104 OSRJLGOOPNGZRD-QGZVFWFLSA-N 329.827 4.367 0 1 EIAF Clc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1Cl 89465219 PPEMPAPSRLGSIO-NVXWUHKLSA-N 338.234 4.102 0 1 EIAF c1cncc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)c1 100101708 FRWVLYMXZUTJPO-NUNAXRQHSA-N 347.506 4.069 0 1 EIAF CS[C@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 195174218 MWAUZLNCUAEKNR-OYNZBZHQSA-N 340.897 4.313 0 1 EIAF COc1cc2c(cc1Br)CC[C@H]1[C@H](c3ccncc3)[C@H]21 195264107 BKRNEVWSNKCMMT-ZLIFDBKOSA-N 330.225 4.296 0 1 EIAF CC[C@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1 586889577 MHUZOLAJWQDDGD-AMIZOPFISA-N 326.181 4.071 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021695 NSGPVLOLNRXNEZ-KRWDZBQOSA-N 349.419 4.001 0 1 EIAF Cc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023008 HUCOWWCBGFYNRJ-UHFFFAOYSA-N 330.413 4.342 0 1 EIAF NC(=O)c1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048252 GOUFKVLNVMPLED-UWVGGRQHSA-N 346.217 4.240 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(C(=O)O)c2[nH]1 587062210 NYMAIKOTDNXQSY-ZDUSSCGKSA-N 330.771 4.445 0 1 EIAF CC(C)(C)c1cccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 587253608 CELSTWCNWZCGBU-UHFFFAOYSA-N 343.434 4.397 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(C)c1)O2 587383272 RUBTWADZXDDGIH-MRXNPFEDSA-N 333.334 4.194 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCC3)cc1)O2 587392728 CGQLQZUQSAZYHQ-NRFANRHFSA-N 336.435 4.058 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(CC(C)C)s1)[C@@H](C2)C3=O 587448977 CVKJUABARRGFAH-IFXJQAMLSA-N 328.433 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(F)c1F)CC2=O 587465316 HGHAPMQQBDSNQX-INIZCTEOSA-N 336.309 4.469 0 1 EIAF O=C1C[C@@H](CCc2cncc(F)c2)Oc2c1ccc1c2CCCC1 587510763 WBDGPMYUZSIVQC-MRXNPFEDSA-N 325.383 4.066 0 1 EIAF O=C(O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532385 QGCLJWMKOOSVKW-HNNXBMFYSA-N 328.389 4.032 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccccc2)N1 587815042 JUZIVFFRYPNXQK-HWPZZCPQSA-N 348.215 4.046 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587823893 SGZBECLOEVYXMO-OBKFTDBVSA-N 336.248 4.376 0 1 EIAF COc1cc(C)ccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587925313 LVVSLUZNXWBXHR-UHFFFAOYSA-N 344.418 4.378 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cncnc4[nH]3)c2C)c(OC)c1 587930827 VXUDVXDGARGMSJ-UHFFFAOYSA-N 346.390 4.013 0 1 EIAF O=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1cccc(F)c1 653840589 DUNQLECXPZQGHO-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CC=CCCCC(=O)C1 2356795217 LSHDKABVPJCRGL-VXCLMFOKSA-N 334.500 4.186 0 1 EIAF CCCCCSc1nc(NC2CCCC2)c2sc(N)nc2n1 28569101 ZQMZNAQWYKGDTO-UHFFFAOYSA-N 337.518 4.305 0 1 EIAF O=c1cc(-c2cccc(Br)c2)[nH]c2ccc3[nH]ccc3c12 28570319 CLAABRHZHDSRBX-UHFFFAOYSA-N 339.192 4.439 0 1 EIAF Cc1nnn(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1 28755355 XWXQDIUFNJEKBY-UHFFFAOYSA-N 332.451 4.091 0 1 EIAF N=C(Cc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 29414265 VPBYCLNUUJODTB-UHFFFAOYSA-N 329.447 4.182 0 1 EIAF Cc1nn(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1[C@H]1[C@@H](C2)C1(C)C 45373517 FUKOIAOTNSHHJQ-VUPXXRIVSA-N 331.419 4.322 0 1 EIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1CC 100037930 MSNWJDZMEHZCQN-NXSRCCIVSA-N 343.423 4.268 0 1 EIAF COc1ccc([C@]2(OC)C=CC(C3CCC3)(C3CCC3)OC2)cc1 103173616 DMOFYPMCPTWSHA-FQEVSTJZSA-N 328.452 4.462 0 1 EIAF Oc1ccc(-c2nc(-c3ccc(Oc4ccncc4)cc3)no2)cc1 147285964 GEYWTKULDUQOML-UHFFFAOYSA-N 331.331 4.297 0 1 EIAF O=C(Nc1cc2ncc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1 169700086 MTSOTIRSZKUEAH-UHFFFAOYSA-N 341.773 4.438 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCN4)cc3)cc12 219341100 SPOIIXXITCGCHO-INIZCTEOSA-N 326.783 4.221 0 1 EIAF COc1ccc(-c2cnc3c(-c4ccncc4)snc3c2)cc1OC 223129205 JVEOGZMDJDIUOL-UHFFFAOYSA-N 349.415 4.438 0 1 EIAF OCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCO3 586894362 AYBASCSCLQRCQG-UHFFFAOYSA-N 346.471 4.380 0 1 EIAF COc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029998 XSOYBJMWIAWCEM-UHFFFAOYSA-N 337.404 4.274 0 1 EIAF CSc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587116894 LWFVZBJPYDRLFN-UHFFFAOYSA-N 346.765 4.358 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1c(C)cccc31)O2 587395716 GOXRCNGBPBEHPW-OAQYLSRUSA-N 332.403 4.174 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)s1)O2 587409097 GONNPCOIXODUBA-INIZCTEOSA-N 342.464 4.336 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)F)c(OC)c1)[C@@H](C2)C3=O 587424035 WKOCBPVSMGPIJB-SCLBCKFNSA-N 346.329 4.130 0 1 EIAF CC[C@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424720 SWUKTLNMBRBCJC-CWTRNNRKSA-N 348.320 4.165 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)(C(C)C)[C@@H](C2)C3=O 587438016 KTSUOGBYADEFSZ-AOMKIAJQSA-N 347.414 4.475 0 1 EIAF COc1ncc(C)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587519312 YUDLYMOJVNBOCW-OAQYLSRUSA-N 337.419 4.158 0 1 EIAF O=C1C[C@@H](c2ccc3snnc3c2)Oc2c1ccc1c2CCCC1 587539030 UMYYLYQFTWNIRM-KRWDZBQOSA-N 336.416 4.277 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)cnc4[nH]3)c2)c1 587932077 KRXBIRUDMDJHKP-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF CCOC1=CCCC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962698687 JEDHUPGVTWONBR-YWZLYKJASA-N 347.499 4.489 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@@H](C)C(=O)c3occ(C)c3[C@H]2C=C1C 2356607011 MKWWNWBOBCXLHD-LVQVYYBASA-N 328.408 4.348 0 1 EIAF CC(C)(Cc1cc(CC(C)(C)C(=O)O)cc(C(C)(C)C)c1)C(=O)O 12466271 ZISIRXGJJHANSU-UHFFFAOYSA-N 334.456 4.291 0 3 EIAF N#CNc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)o1 13298 SUEKFOCZLTZTHC-UHFFFAOYSA-N 345.284 4.392 0 1 EIAF CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)CN2C=C1 3987293 JHRLCWRMDLLAOV-HXUWFJFHSA-N 328.415 4.340 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)Oc2ccccc2)N3C)cc1 13725268 HIQHQNWJRSNELD-KCLUMXDGSA-N 335.447 4.167 0 1 EIAF COc1ccc2nc(CCc3cc4c(cc3Cl)OCO4)sc2c1 40894998 JHIAWFDNLYOYPU-UHFFFAOYSA-N 347.823 4.472 0 1 EIAF O=C(Nc1ccccc1Cl)c1cnn2ccc(-n3cccc3)cc12 48999860 ZABSTLOUKWTRLB-UHFFFAOYSA-N 336.782 4.031 0 1 EIAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@@H](C)[C@H]2C)ccc1O 85930438 YHPHTNNPOSLWIM-FKANQGBASA-N 328.408 4.075 0 1 EIAF CCCCOc1cc2nnnc(Nc3ccc(C)cc3)c2cc1OC 103295901 AVRWPPIHUZXWFV-UHFFFAOYSA-N 338.411 4.264 0 1 EIAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc2ccccc12 114345879 CITUHDBZOGJAEN-CYBMUJFWSA-N 342.402 4.055 0 1 EIAF NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)C4CCCCC4)cc3)nc2c1 116011535 BTYTUMWGPVLADL-UHFFFAOYSA-N 347.418 4.092 0 1 EIAF O=C(O)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 137952374 BVMAVERYXGFASX-UHFFFAOYSA-N 342.358 4.134 0 1 EIAF COc1cccc([C@@H]2CCN(c3ccc(-c4ccncc4)cc3)C2=O)c1 584629404 GMWSHCZWEGTCTC-NRFANRHFSA-N 344.414 4.278 0 1 EIAF Cc1ccnc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc12 586997473 XONBZRAZMGWZIY-UHFFFAOYSA-N 346.228 4.343 0 1 EIAF Clc1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587021604 MMOYBPQRONDEAK-UHFFFAOYSA-N 326.812 4.326 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCO3 587156256 ROLDWABMLQTZNR-AWEZNQCLSA-N 328.343 4.003 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1Nc1ccccc1)[C@@H](C2)C3=O 587427388 CLAVGIRZCJAOBO-KPLVRAHFSA-N 349.430 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cccc1OC)CC2=O 587476834 GMCWZQXNTOHHDH-SFHVURJKSA-N 326.392 4.368 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@H]3CCOC3)C1)CC2=O 587493203 TYOMXABJALUVNV-GXZWQRSESA-N 344.451 4.275 0 1 EIAF COC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587812401 QORUCOIFYADCIB-MEBBXXQBSA-N 342.252 4.123 0 1 EIAF COc1ccc(/C=C/Cc2nc3ccc(F)c(F)c3[nH]2)c(OC)c1 587929349 NVMUBIVDNUTGCL-ONEGZZNKSA-N 330.334 4.114 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1cc(C(F)(F)F)cnc1Cl)NCC2 962089929 IDKAAFPHQPUQTR-AWEZNQCLSA-N 344.739 4.436 0 1 EIAF CCCC[C@@]1(CC(=O)OC)N[C@H](CC)Cc2c1[nH]c1ccccc21 962942623 FZACWDPTKDSMFC-VLIAUNLRSA-N 328.456 4.041 0 1 EIAF Clc1c(Cl)c(Cl)c2nn([C@@H]3CCCO3)nc2c1Cl 5600398 CLWJOTIWNHKRSQ-BYPYZUCNSA-N 326.998 4.354 0 1 EIAF CCS(=O)(=O)c1ccc(-c2oc(C)nc2-c2ccc(F)cc2)cc1 13436261 CDDVIIQSCCZVKS-UHFFFAOYSA-N 345.395 4.250 0 1 EIAF CN1CCc2cc(Cl)c3nc(O)sc3c2[C@@H](c2ccccc2)C1 13608549 CNZLLJPQLYIARX-CYBMUJFWSA-N 344.867 4.275 0 1 EIAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)Cc1cccc2ccccc12 13734034 YFADCRNSRNZXOF-HDICACEKSA-N 338.495 4.152 0 1 EIAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCCCc2ccccc2)C1 13782822 FVMATSHOWXOARI-QFIPXVFZSA-N 349.474 4.198 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CCO[C@@H]1N2C 14947353 AGOPIOMWLMAZHS-AZUAARDMSA-N 338.407 4.060 0 1 EIAF C[C@@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26391333 NNSRXNWUJQJDLG-DOMGEYNRSA-N 347.543 4.094 0 1 EIAF CCN(CC)CC/C=C1/c2cc(OC)ccc2OCc2ncccc21 26839708 DPWLUNLBMGELMR-RQZCQDPDSA-N 338.451 4.146 0 1 EIAF CC(C)(C)c1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1 27324442 DUCUPTYZXPVSEB-HXUWFJFHSA-N 342.527 4.004 0 1 EIAF CN1c2cc3c(cc2[C@H]2CCCC[C@H]21)c(C(F)(F)F)cc(=O)n3C 27856785 MCZDFWOPLACFDA-QMTHXVAHSA-N 336.357 4.033 0 1 EIAF C[C@@H]1CCCC[C@@H]1OC[C@H](O)Cn1c2c(c3c1CCCC3)CCCC2 72139643 PKBWVJIIQVNWAZ-YVHKJVDXSA-N 345.527 4.202 0 1 EIAF CCCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF 73197504 AMCHMCFQZZZVHL-INIZCTEOSA-N 330.447 4.289 0 1 EIAF CCCCNC(=O)/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2 96914769 ZEIFTCPBWWNZIR-HJHGIKLDSA-N 327.424 4.237 0 1 EIAF CC1=Nc2ncnn2[C@H](c2cccs2)/C1=C(\O)OC1CCCCC1 103938814 GWJMAFQCRDYIAA-DPEHCCBOSA-N 344.440 4.154 0 1 EIAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(F)c1 104115814 ZLHPTYCDOBPGHI-CFBLSMTOSA-N 344.390 4.089 0 1 EIAF Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c(C)c1 114335042 FHLWBDTURRAKOU-FQEVSTJZSA-N 334.467 4.256 0 1 EIAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc([C@H]4CCOC4)cc3)cc12 216023317 TUUFQCJDQLTWHC-LBPRGKRZSA-N 342.782 4.085 0 1 EIAF CCc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)cc1CC 586878262 BCMHWNAGXGPVFW-UHFFFAOYSA-N 338.407 4.150 0 1 EIAF O[C@H]1C[C@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 586905111 YREOWPWEFLJWMA-GWCFXTLKSA-N 347.187 4.034 0 1 EIAF CC(=O)c1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 586979249 KMWJRIBLBIYEMH-UHFFFAOYSA-N 344.212 4.207 0 1 EIAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587116931 FGHRDDHSZXEYEF-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF O=C(CCc1nc2ccc3c(c2[nH]1)CCCC3)Nc1cccc(F)c1 587161996 GIJBGNQBMOKPTR-UHFFFAOYSA-N 337.398 4.152 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)ccc(Cl)c1F)O2 587380700 BTCRIJVBFOXTQO-QGZVFWFLSA-N 337.753 4.389 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnn([C@H](C)CC)c1)CC2=O 587479545 ZSOVUFOTGVARJG-XIKOKIGWSA-N 328.412 4.219 0 1 EIAF CCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576310 ILVVXJAYKMEDTL-RXVVDRJESA-N 349.386 4.307 0 1 EIAF CCn1ncc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)c1C 587633750 KVHNXSFKGMHJQJ-UHFFFAOYSA-N 339.292 4.244 0 1 EIAF COc1ccccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772638157 VOILKLABQYJNTN-INIZCTEOSA-N 339.416 4.425 0 1 EIAF COc1ccc2c3ccnc(C)c3n(CCC(C)(C)C(=O)O)c2c1 1857581437 XRZSKNMILHLGAE-UHFFFAOYSA-N 326.396 4.007 0 1 EIAF CC[C@H](C)C=C[C@@H]1c2ccoc2C[C@@H]2CO[C@@H](CCC(=O)OC)C[C@@H]21 2356323450 LBBXLAVURLOGQS-KMOPNRPKSA-N 346.467 4.496 0 1 EIAF Clc1ccc(CCN2CCC[C@@H]2CN2CCCC2)cc1Cl 22935739 KLIHGCYEZYMBSX-OAHLLOKOSA-N 327.299 4.096 0 1 EIAF Clc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 28642356 JQCWNEXLKSGUJQ-SFHVURJKSA-N 340.858 4.293 0 1 EIAF Cc1ccc(CN2C(=O)S/C(=C\OCc3ccccc3)C2=O)cc1 28712515 OLCTXANFPQGNOY-LGMDPLHJSA-N 339.416 4.249 0 1 EIAF CNc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978523 UJVGCRMWOCTARW-QGZVFWFLSA-N 349.217 4.128 0 1 EIAF CC(C)N1C(S)=N[C@@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 39290307 NAHKXBCUSYETRQ-KRWDZBQOSA-N 344.411 4.158 0 1 EIAF FC(F)(F)CNCc1coc(-c2ccc(Cl)cc2Cl)n1 72183906 LCODCINRPIOGLV-UHFFFAOYSA-N 325.117 4.300 0 1 EIAF CC(=O)c1cccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c1 82162153 OOGSTPQNQDRRRF-LJQANCHMSA-N 329.403 4.446 0 1 EIAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)o1 82165333 FQLPQGSFMLPZIW-UHFFFAOYSA-N 336.351 4.214 0 1 EIAF CC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 84689792 AZJASHCESXNMHV-UHFFFAOYSA-N 339.826 4.431 0 1 EIAF CC(C)Nc1nc(-c2ccco2)nc2ccc(/C=C\C(C)(C)O)cc12 89455644 INWQHHRLNZWEFG-KTKRTIGZSA-N 337.423 4.494 0 1 EIAF in-vivo C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727174 STCDNRHBHKPGBU-HZPDHXFCSA-N 339.313 4.162 0 1 EIAF Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(C(=O)O)ccc12 205648317 HMAUVMPQIUHXNP-UHFFFAOYSA-N 335.190 4.398 0 1 EIAF COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccccc23)cn1 299821359 LCDWVIFIZJLNRY-UHFFFAOYSA-N 344.414 4.253 0 1 EIAF CCOC(=O)c1cc2c(OC)c3cccc(OC)c3c(OC)c2s1 299834063 RJBNNVFJIZPZPT-UHFFFAOYSA-N 346.404 4.257 0 1 EIAF CCCCC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 299845493 ADMVYUZRYONEMW-BHIYHBOVSA-N 345.483 4.185 0 1 EIAF Cc1ccc(C)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 586983283 ALVKZPZQWWBEML-AWEZNQCLSA-N 344.256 4.185 0 1 EIAF CCOc1n[nH]c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1Cl 587064504 BNMOMPVFHGVQQE-UHFFFAOYSA-N 330.697 4.024 0 1 EIAF CC(C)Oc1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587071139 JJDQAEYRTAPPKT-UHFFFAOYSA-N 328.799 4.429 0 1 EIAF Cc1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 587088997 HMVCJJAQQYIMDP-UHFFFAOYSA-N 338.155 4.169 0 1 EIAF Fc1c(F)c(F)c2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1F 587130680 OKBDIUSNMUFXGQ-UHFFFAOYSA-N 332.203 4.388 0 1 EIAF CC(C)(C)OC(=O)N1CCC[C@H]1Cc1cc2c3c(cccc3n1)CC2 587211475 FPCZMZPRTGKTJI-KRWDZBQOSA-N 338.451 4.275 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(F)c(F)c1)O2 587386219 UPUKKFFYYIGOFX-LJQANCHMSA-N 331.362 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(C)C)c(C)c1)O2 587398893 GIWLMSZHUXAAGQ-IBGZPJMESA-N 325.408 4.379 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O 587424784 UWDQUFQYTJPRBG-DYZYQPBXSA-N 336.721 4.116 0 1 EIAF CCn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587431028 LQOJMBBGLRACGG-OPAMFIHVSA-N 347.414 4.333 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4sc(C)nc4c1)[C@@H](C2)C3=O 587451066 HTKXMYFORZDYPW-DJJJIMSYSA-N 337.400 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)cc1C)CC2=O 587460126 GLVWXQACOJGOQX-INIZCTEOSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1O)CC2=O 587463503 XTZUPVKYDNGRDO-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF O=C1C[C@@H](c2[nH]ccc2Br)Oc2c1ccc1c2CCCC1 587496185 HJTXHOUVPXEYPH-HNNXBMFYSA-N 346.224 4.363 0 1 EIAF Cc1ccc([C@@]2([C@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529089 ITKHHGAGRFCGHZ-NYHFZMIOSA-N 336.431 4.115 0 1 EIAF Cc1c[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587790897 JZSIYHOMNVEYQV-JDNHERCYSA-N 337.236 4.157 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3ccnc(Br)c3)n1)O2 587872852 RVPPTGOBDIEXTN-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF Cc1ccc2c(ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c32)n1 587969602 QEFZFBIMSXPHFL-OXAAKOFDSA-N 331.419 4.066 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)c1 962732045 WGQOIQSCVJPREL-HKUYNNGSSA-N 347.380 4.213 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc3[nH]ncc23)N1 962952714 VONWMABBUQTQQS-ZSEKCTLFSA-N 330.435 4.232 0 1 EIAF CC(=O)C[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963125313 TZADKZUSXLWGRV-SFHVURJKSA-N 334.246 4.362 0 1 EIAF C[C@H](Oc1ccccc1)[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963354648 XSALZAVUPKHPIB-GAJHUEQPSA-N 345.442 4.249 0 1 EIAF COCc1cccc(-c2csc([C@](C)(O)c3ccccc3)n2)c1 61906260 WTCZZIUDQPRGNX-LJQANCHMSA-N 325.433 4.212 0 3 EIAF CCOc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 3189062 JZDNUUKKBOXDSG-UHFFFAOYSA-N 329.240 4.155 0 1 EIAF biogenic COc1cc(C(=O)/C=C/c2cccc3[nH]ccc23)cc(OC)c1OC 3928558 NRWULFAUHWILHE-BQYQJAHWSA-N 337.375 4.090 0 1 EIAF CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 4427926 GIXHJNAEIKBHDJ-OAQYLSRUSA-N 336.435 4.055 0 1 EIAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)NCCO3)cc1 13606858 JJHKVNJBDRGMKW-IZZDOVSWSA-N 336.435 4.440 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904352 WGPZAVZHAGYUOL-JLKUWVSASA-N 331.500 4.055 0 1 EIAF CN(C)CCCOc1nccc(-c2ccc(-c3cccs3)s2)n1 26579326 MPMXISLZAMYBCI-UHFFFAOYSA-N 345.493 4.264 0 1 EIAF O=C(NC(c1ccccc1)c1ccccc1)c1occc(=S)c1O 59114892 KVYBEPFWNJAXPH-UHFFFAOYSA-N 337.400 4.234 0 1 EIAF O/N=C1/c2ccccc2O[C@@H](c2cccc(Cl)c2)[C@@H]1n1ccnc1 59204263 XGNNKFNOAKZDNO-INIURNPISA-N 339.782 4.090 0 1 EIAF CC(C)(C)c1ccc(SC2=NS(=O)(=O)c3ccccc32)cc1 64581801 PDOXAIMQVOHNJX-UHFFFAOYSA-N 331.462 4.225 0 1 EIAF CC(C)c1c(O)ccc2c1[C@@H](O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 146171336 GMSLFNUEEZTQCO-BWMZKYQQSA-N 332.440 4.101 0 1 EIAF CN(C)C[C@](O)(c1ccccc1)C(c1ccccc1)c1ccccc1 169322748 JASAWULLILWNSV-QHCPKHFHSA-N 331.459 4.268 0 1 EIAF CC/C(C)=C\C=C\[C@@H]1C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 238779707 RMVHXWSDNTZFLY-PLBNBLCASA-N 325.246 4.278 0 1 EIAF COc1cc(-c2ccccc2)cc2c1OCCN(Cc1cccnc1)C2 473130568 KSCAAFZAHCJSST-UHFFFAOYSA-N 346.430 4.152 0 1 EIAF Brc1nccc2nc(CSCc3ccsc3)[nH]c12 587027939 UPTAIKQGUVNVPW-UHFFFAOYSA-N 340.271 4.215 0 1 EIAF Cc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1C 587060856 OOWCNVPVJVZTMG-UHFFFAOYSA-N 349.825 4.370 0 1 EIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 587068722 BYLYJQDKGHGDMR-ZDUSSCGKSA-N 336.826 4.050 0 1 EIAF N=c1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c[nH]1 587124138 ITMYXJDAABRABG-UTCJRWHESA-N 336.342 4.153 0 1 EIAF CC(=O)N[C@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)c1ccc(C)cc1 587206414 MEXPMWYIKFFUFB-MRXNPFEDSA-N 341.842 4.253 0 1 EIAF CCN1c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@H]1C 587396576 UJUFZVDAVRVOCO-ZUOKHONESA-N 336.435 4.055 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COCC)o1)CC2=O 587485229 UHDZTQGFOMRSGJ-SFHVURJKSA-N 330.380 4.181 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCO3)CC2=O 587485872 KJQQZVUWXOIRHE-NRFANRHFSA-N 338.403 4.160 0 1 EIAF O=C1C[C@@H](c2cnc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 587500381 OJLYISDOYMMOEO-AWEZNQCLSA-N 349.217 4.369 0 1 EIAF CCO[C@@H](C)n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517085 GPZBUQJHFPKDHG-ORAYPTAESA-N 340.423 4.023 0 1 EIAF CC/C=C/CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525258 UDKWORAYPBKCIJ-KTBYTZPXSA-N 342.435 4.189 0 1 EIAF CC(C)(C)CC[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587528491 ACVAPJPMRMCFHL-HXUWFJFHSA-N 330.424 4.180 0 1 EIAF Cc1cc(C(=O)O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529168 KAVVJRADRUVWKQ-IBGZPJMESA-N 336.387 4.279 0 1 EIAF CO[C@@H]1OC[C@@]23CCC[C@@]1(C)[C@@H]2CC[C@@]12C[C@@H](CC[C@H]13)[C@](C)(O)C2 653851009 TYOBRKHPGVSBKS-QGBOAJIPSA-N 334.500 4.133 0 1 EIAF COc1cc(C)c([C@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962661594 CYFYAOHXNHGIGK-QFIPXVFZSA-N 330.431 4.301 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cn(C)nc1-c1ccncc1 963229742 PAIFNXPWGXCJNK-AOMKIAJQSA-N 346.478 4.228 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC1OCCO1)C(C)(C)C 963242942 QTGLBLYRUIPHMI-HRAATJIYSA-N 331.500 4.348 0 1 EIAF COc1ccccc1[C@H](C)NC[C@@H]1C[C@@H]1c1cc(F)ccc1OC 1772583665 BONWNEKKSLDYSH-ZQIUZPCESA-N 329.415 4.297 0 1 EIAF COc1ccccc1C(=O)c1sc(N)cc1-c1ccnc(Cl)c1 1857654704 JIBHJTJHKZOODU-UHFFFAOYSA-N 344.823 4.285 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@@H]1C 2356748607 KLFDWNXGESKDJI-GNBIQWSPSA-N 344.451 4.418 0 1 EIAF CCN[C@H]1CCC[C@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 28237426 GKDCVGNKESHKGU-LSDHHAIUSA-N 329.271 4.267 0 1 EIAF CC(C)CN(CC(C)C)C(=O)c1ccc(C(=O)C(F)(F)F)cc1 28880337 KYLZAMBKCVYYKI-UHFFFAOYSA-N 329.362 4.186 0 1 EIAF COc1ccc(Cl)cc1[C@@H]1C(=O)Nc2cc(C(F)(F)F)ccc21 29312250 RRSDYHBCICNUFM-CQSZACIVSA-N 341.716 4.451 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C 33831727 ZGSGPGJJWNVAIA-GELZBODSSA-N 334.456 4.332 0 1 EIAF biogenic,in-vitro COc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1OC 40403356 GOWYUOGYQVBRKY-UHFFFAOYSA-N 325.389 4.058 0 1 EIAF O=c1c2ccccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 72136098 WADLBJWPTSIMDA-BUHFOSPRSA-N 339.398 4.010 0 1 EIAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccccc3)s1)O2 101501459 DGHBKKBHNLJPGA-YRBFXIGRSA-N 328.433 4.239 0 1 EIAF C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1 101511254 UUWNSUXDHRSBHP-WKJJFCIUSA-N 348.490 4.086 0 1 EIAF CN1[C@H]2CC[C@H]1[C@H](C(=O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 169303414 BZEWSQBMUDXXBU-RFQIPJPRSA-N 331.765 4.038 0 1 EIAF Clc1cc(Cl)cc(Nc2nc(NCc3ccccc3)n[nH]2)c1 220902818 PXGMXFAAALPZFN-UHFFFAOYSA-N 334.210 4.467 0 1 EIAF CCC(=O)O[C@H](C)c1cccc2oc(OC)c(CC=C(C)C)c(=O)c12 238772815 OFIDHGLHLLHWIM-CYBMUJFWSA-N 344.407 4.325 0 1 EIAF CCOc1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 473153055 XRLZPQCYOGDCEV-UHFFFAOYSA-N 338.451 4.324 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C)c(C)c2[nH]1 586918697 ZROVWFHFKAPXJA-IIBYNOLFSA-N 334.419 4.396 0 1 EIAF CC(C)(C)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2n1 587155552 NYMKEQWPPPYTEK-UHFFFAOYSA-N 349.207 4.219 0 1 EIAF Cc1cccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587200929 BSGLCMIUVYAGJD-UHFFFAOYSA-N 331.460 4.452 0 1 EIAF C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)O 587205634 AOZIFIZZOBBNRL-NWDGAFQWSA-N 343.382 4.197 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1N1CCCC1)O2 587380544 ATZUTQBNYMGHJB-GOSISDBHSA-N 340.398 4.023 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cc(Cl)cc1F)O2 587382369 QGUZKJXUMUXGME-QGZVFWFLSA-N 337.753 4.389 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccnc3)cc1)O2 587394090 CKDAJTKBBQRVLJ-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(Cl)c1)CC2=O 587461532 NBXVQJZSHIKTAB-GOSISDBHSA-N 331.799 4.274 0 1 EIAF CC1(C)Cc2nc[nH]c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526302 QPINCSSEIMYBHE-NRFANRHFSA-N 336.435 4.122 0 1 EIAF CC[C@@]1(C2(C(=O)OC)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587528086 ZHCNTVWYJPYECO-NRFANRHFSA-N 342.435 4.023 0 1 EIAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc([C@@H](C)CC)cc12 587642301 RAWZXXQQUAQRAJ-VIFPVBQESA-N 341.329 4.446 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2)N1 587731090 GWCRNNXEMFFBAZ-FVMDXXJSSA-N 338.195 4.351 0 1 EIAF CCOc1ccccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 587780851 KGSWHXBGDDNDBL-UHFFFAOYSA-N 325.412 4.233 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]c3nccc(C)c23)N1 962938927 APTFSRADFPBVFP-RBZFPXEDSA-N 330.435 4.366 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@]31C[C@H]2CC[C@@]1(C)C2(C)C 963047934 QLJLYVIYIKNYKF-YDFBLROQSA-N 336.479 4.431 0 1 EIAF COc1ccccc1CN(C)C[C@H]1C[C@@H]1c1cc(F)ccc1OC 1772574082 AZQNQKWCVSCOCW-WBVHZDCISA-N 329.415 4.078 0 1 EIAF Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 1857765595 QVAYMJDZQBQRGP-UHFFFAOYSA-N 349.333 4.351 0 1 EIAF COc1oc(CC=C(C)CCCC(C)=C[C@@H](C)O)c(C)c(=O)c1C 2356324104 POWDQNOFNJBGFS-OAHLLOKOSA-N 334.456 4.251 0 1 EIAF CNC[C@@H]1C[N@]1[C@@H]1C=CC[C@]2(C)[C@@]13CC[C@@H](C)[C@]21CCC(C)=C1C3 2356358833 YKMCBIXVHAACBC-GHVHGHNCSA-N 326.528 4.142 0 1 EIAF CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@]2(C)CCC[C@]3(C)C(=O)O[C@@H]1[C@@H]32 2356503299 CHMFOVOONHFZLX-SQAAOVBZSA-N 344.451 4.206 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@@H](C)c2c(c(O)c3occ(C)c3c2C)C1=O 2356691591 PCKTVUSCRGCLKU-ZWNOBZJWSA-N 342.391 4.323 0 1 EIAF CCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2)n1 13642384 IWIAZAJMAHAFDU-UHFFFAOYSA-N 326.783 4.369 0 1 EIAF Cc1coc2c1C[C@]1(C)[C@H](C)CCC[C@]1(OC(=O)CC(C)C)C2=O 14453012 VQTCRCOTOAXTFE-XMCHAPAWSA-N 332.440 4.481 0 1 EIAF biogenic CC[C@@](O)(c1cccc(OCc2ccccc2)c1)c1nccs1 26282383 KFEFRSCGCLMNNK-LJQANCHMSA-N 325.433 4.368 0 1 EIAF Cc1cc(C)c2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2 28884309 UCLAAIWUUBIHBQ-UHFFFAOYSA-N 345.398 4.001 0 1 EIAF CC(C)c1ccc(O[P@](=O)(O)[C@@H](N)CCc2ccccc2)cc1 49068670 KZGQPNNWYUTSTQ-GOSISDBHSA-N 333.368 4.292 0 1 EIAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 49070967 VAEHJHVYENQCDK-ZPUQHVIOSA-N 327.767 4.277 0 1 EIAF COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82075123 WHMKCJRZAUWXKW-UHFFFAOYSA-N 339.191 4.166 0 1 EIAF CCCC[C@@H](CC)CNc1nc(NC)c2cc(OC)c(OC)cc2n1 82131739 YKAILIHOAWFWCT-CYBMUJFWSA-N 346.475 4.317 0 1 EIAF COc1ccc(OC)c(-c2cc(N[C@@H](C)c3ccccc3)ncn2)c1 82161225 JJVQQVKKNWPJCX-AWEZNQCLSA-N 335.407 4.334 0 1 EIAF Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)o1 82175676 TYOZSNLMQBSMEL-UHFFFAOYSA-N 338.386 4.236 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169338813 NNSRXNWUJQJDLG-MZUUPKFYSA-N 347.543 4.094 0 1 EIAF CC1=C[C@@H](O)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@@H]2C1 238754845 QLVPTADECVIDJG-YSFZOSMKSA-N 330.424 4.017 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)ccc(C)c2[nH]1 586915145 BDPCGBRLOXLCRQ-KKSFZXQISA-N 334.419 4.396 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586963870 RLYBNBHAEPFETI-SNVBAGLBSA-N 330.384 4.395 0 1 EIAF COc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1OC 586964879 NEDIXVSUUOUWAJ-UHFFFAOYSA-N 328.437 4.489 0 1 EIAF CCCC(Br)(CCC)c1nc2ccc(C(=O)O)cc2[nH]1 586970516 GBOGWYHYUMQZNX-UHFFFAOYSA-N 339.233 4.452 0 1 EIAF Cc1c(-c2nc3c(C)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029173 IZZDZNYXQMEJSD-UHFFFAOYSA-N 336.420 4.021 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587089191 ZLWMTJOFCXNIHC-SSDOTTSWSA-N 349.278 4.471 0 1 EIAF CC(=O)c1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587136361 OXJIEKQSZAGUHM-UHFFFAOYSA-N 341.386 4.331 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc4cc(F)ccc4o1)[C@@H](C2)C3=O 587427012 FZJLHMQICBDNPJ-XOBRGWDASA-N 338.334 4.243 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1)CC2=O 587476995 HBHSBRYRQJZGRH-HXUWFJFHSA-N 326.392 4.234 0 1 EIAF O=C1C[C@@H]([C@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 587535713 NMABYNMOQOWELK-UWJYYQICSA-N 334.415 4.466 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2cccs2)cs1 587653098 CPAWUFYVCAJILL-UHFFFAOYSA-N 345.836 4.224 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3cc(OC)cc(OC)c3[nH]2)c1 587778778 TYDAZZITEDFXMP-UHFFFAOYSA-N 342.395 4.045 0 1 EIAF CCCC[C@@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587813786 PUQLQCWBYRPYBA-HWPZZCPQSA-N 342.252 4.097 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@H]3CC[C@@]12O 2356404932 BDKARMILWOSVNF-BEQPXRQHSA-N 346.467 4.209 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@H](N)[C@H](Cc1ccc(O)cc1)NC 2356718850 IBEFHERIICGKCU-JWWGGVBKSA-N 332.532 4.259 0 1 EIAF COCCNc1nc(Nc2ccc(C)cc2C)c2sccc2n1 61902642 UALUJSADQCABIK-UHFFFAOYSA-N 328.441 4.110 0 3 EIAF COC(=O)/C=C(\C(=O)OC)c1cc(C)c2cc(C(C)C)ccc(C)c1-2 5957241 XEKBMEPRVKNNFU-WQRHYEAKSA-N 340.419 4.261 0 1 EIAF O=C(O)Cn1cc(Cc2nc3ccc(F)cc3s2)c2ccccc21 11536146 DYNHZTFLLXJYDQ-UHFFFAOYSA-N 340.379 4.066 0 1 EIAF CCc1cc2cc(C(=O)[C@H]3COc4ccccc4O3)ccc2nc1C 13613069 DNGNUEBUEKGOGM-HXUWFJFHSA-N 333.387 4.128 0 1 EIAF O=C(O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCCCF 15217187 DYQPCSNLXMQTCT-IAGOWNOFSA-N 334.472 4.224 0 1 EIAF biogenic CC1(C)CCSc2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc21 26275550 FMCQAOCZHXREBE-UHFFFAOYSA-N 341.432 4.411 0 1 EIAF COc1ccc(CCNCCC23CC4CC(CC(C4)C2)C3)cc1OC 27758614 VOEFFOYLMNNQBD-UHFFFAOYSA-N 343.511 4.442 0 1 EIAF COc1ccc(/C=C/C2=NCCc3cc(Cl)c(O)cc3N2)cc1 45290203 XQMSVYBEWIJZAD-QPJJXVBHSA-N 328.799 4.134 0 1 EIAF c1ccc(COC[C@@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1 45335915 KZEDBHGMDQYYNT-SFHVURJKSA-N 342.402 4.308 0 1 EIAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1CCC(C)C 85597515 XOPCCMVBYLZZMP-MRXNPFEDSA-N 336.472 4.042 0 1 EIAF biogenic,in-vitro COc1ccccc1C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1 96285804 YGLHYBQSRDRNOB-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF CCCCNc1cc(C)nc(NCc2cc(-c3ccccc3)no2)n1 203007177 FWTKRVWBUSOLCI-UHFFFAOYSA-N 337.427 4.264 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(Cl)c2[nH]1 586918366 XNADQQYQYXVIRN-DJJJIMSYSA-N 340.810 4.433 0 1 EIAF Clc1cnc2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005454 IXTBNSWNAJMNRI-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(CN=O)cc4)nc3c2)cc1N 587190145 KKFHBBIBVZZUAG-UHFFFAOYSA-N 343.390 4.328 0 1 EIAF Nc1cc(-c2nc3c(Br)ccnc3[nH]2)c2ccccc2c1 587251956 PBMHJVUWZFJEBH-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C)c1)CC2=O 587481971 QMGAROFODNWWSG-IBGZPJMESA-N 326.392 4.368 0 1 EIAF CCCCC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813864 QEQQFYSMWFDNJW-MGPLVRAMSA-N 342.252 4.097 0 1 EIAF COc1ccc(COC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875552 QRUWXDSWSHMLIJ-UHFFFAOYSA-N 340.310 3.988 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3ccc(Br)nc3[nH]2)c1 587932810 VWXPTSRCRBSHBB-JTQLQIEISA-N 346.228 4.075 0 1 EIAF COc1ccc2c(c1)C[C@H](c1nc3cnc4ccccc4c3[nH]1)CC2 587947294 VJMZSAPGYRXDQS-CQSZACIVSA-N 329.403 4.392 0 1 EIAF COc1ccc2c(c1)[C@H](c1ccc(Cl)nc1OC)N(C(C)C)CC2 962090749 MSLHCESBIMTZTC-SFHVURJKSA-N 346.858 4.108 0 1 EIAF O=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)Nc1cccs1 1857584534 XNTJXJMMVJZISV-UHFFFAOYSA-N 349.419 4.026 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccoc2)cnc1N 1857617308 XDCHGCNTDPIYHU-UHFFFAOYSA-N 327.771 4.138 0 1 EIAF CC(C)c1ccc(O)c(CC[C@@H]2[C@@](C)(O)CCC[C@]2(C)C(=O)O)c1 2356568395 AIWPRIHXTFECLS-IHPCNDPISA-N 334.456 4.090 0 1 EIAF CCCCN(CCCC)c1nc(C)nc(C(Cl)(Cl)Cl)n1 2011146 AVJODYTUMYCMKC-UHFFFAOYSA-N 339.698 4.413 0 1 EIAF CN(C)Cc1ccccc1Sc1ccc(Br)cc1N 13472753 BSKYZWOORUYBRU-UHFFFAOYSA-N 337.286 4.244 0 1 EIAF COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 22375751 PNFQYDULONSPIB-DHZHZOJOSA-N 349.308 4.144 0 1 EIAF O=c1c2ccccc2nc(-c2cccc(O)c2)n1CCc1ccccc1 28128022 GAOLXSPVVYZNNN-UHFFFAOYSA-N 342.398 4.012 0 1 EIAF CC1(C)CC(=O)c2cc(Br)c(NC3CCCC3)nc2C1 28967883 CTLFPIXTSHRHED-UHFFFAOYSA-N 337.261 4.354 0 1 EIAF O=C(O)c1c(O)c(CCc2ccccc2)nc2c3c(ccc12)CCCC3 34504384 ZZWCPLYCLOSYDE-UHFFFAOYSA-N 347.414 4.303 0 1 EIAF Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1 40913855 YOUJKSRBHSZORZ-UHFFFAOYSA-N 325.393 4.078 0 1 EIAF Oc1ccc(Nc2ncc(Cl)c(Nc3ccc(O)cc3)n2)cc1 40952457 FEPCQUSZQBCNQK-UHFFFAOYSA-N 328.759 4.028 0 1 EIAF CCCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3 66077822 SWSVYEJPIAYSGL-GOSISDBHSA-N 341.426 4.273 0 1 EIAF COc1cccc(-c2nc(CN[C@H](C)CCc3ccccc3)co2)c1 72180635 XHHKSULLJUBEHK-MRXNPFEDSA-N 336.435 4.461 0 1 EIAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 82181459 GDBJYMIAVLQPTE-GFCCVEGCSA-N 341.484 4.423 0 1 EIAF COc1ccc(Cn2ccc(=O)c3cccc(C(F)(F)F)c32)cc1 102419257 RVQZGSQMBYSKGP-UHFFFAOYSA-N 333.309 4.077 0 1 EIAF CCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 114632682 AXCXZIDLHPAEIV-UHFFFAOYSA-N 341.432 4.069 0 1 EIAF COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OCC(C)=C2C[C@H](O)/C(C)=C/CC1 146763506 OCECFDGDAVQDAG-OOTPITACSA-N 346.467 4.019 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(C)ccc(C)c2[nH]1 586915144 BDPCGBRLOXLCRQ-IIBYNOLFSA-N 334.419 4.396 0 1 EIAF Cc1ccc2c3c(cc(-c4c[nH]ccc4=N)nc13)-c1ccccc1C2=O 586998271 ZMZDOLFBFWBCQS-UHFFFAOYSA-N 337.382 4.229 0 1 EIAF Cc1cc(C)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077596 XNDARAIVQFHASM-MRXNPFEDSA-N 325.799 4.450 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(OC)cc(OC)cc3[nH]2)n1 587078907 CUTZGTVRQKNYKI-VIFPVBQESA-N 334.807 4.068 0 1 EIAF Clc1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231425 AVELIDFTAISUCC-UHFFFAOYSA-N 338.798 4.161 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(F)cc3)on1)O2 587385124 RJVGAMQYYQBWJG-SFHVURJKSA-N 338.338 4.078 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1N(CC)CC)CC2=O 587469079 HQYNFZSFSNOPKU-FPOVZHCZSA-N 345.483 4.333 0 1 EIAF COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587630592 MFCHYWKOOPAQKV-UHFFFAOYSA-N 349.720 4.122 0 1 EIAF Cc1ccncc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775932 VAWRBGRPXWFXLQ-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF COc1cccc(NCc2cccc(CNc3cccc(OC)c3)n2)c1 1772625998 MAGNQAGTNRNFDL-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF O=C(CCCOc1cccc(Cl)c1)Nc1ncc(Cl)s1 1857551372 ZPDOJULGDJLGDW-UHFFFAOYSA-N 331.224 4.248 0 1 EIAF CC(C)(C)CC(C)(C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857614342 CGCTZXKRODVTAN-UHFFFAOYSA-N 335.455 4.135 0 1 EIAF O[C@H]1Oc2ccccc2[C@H](O)/C1=C/c1ccc(-c2ccccc2)cc1 1911571642 LANYTQSWWGHIRV-UBPIQGKGSA-N 330.383 4.181 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C[C@H](O)C[C@H]32)C1 2356618953 PLEUIMUJHJRAMH-UPFSRWTJSA-N 334.500 4.322 0 1 EIAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@]1[C@@H](C)c1ccccc1 2356760647 BLLGOPLLCDRJQD-JOTSJDLFSA-N 329.484 4.436 0 1 EIAF COc1ccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)cc1 61903744 RIGCEVGMHFUBDQ-INIZCTEOSA-N 333.359 4.179 0 3 EIAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3N2O1 13436814 VMLLHZVDHFWOOM-UKRRQHHQSA-N 330.815 4.259 0 1 EIAF CN1CCN(c2nc3ccccc3c3c2CSc2ccccc2-3)CC1 13797043 HTBGXIVKSXVHMI-UHFFFAOYSA-N 347.487 4.259 0 1 EIAF CN(C)[C@H]1[C@@H]2CC[C@@H](C[C@@H]2OC(=O)c2ccccc2)[C@@H]1c1ccccc1 13802285 RNZUABSIOANGLF-WIYBCGNWSA-N 349.474 4.356 0 1 EIAF CSc1cc(-c2ccc(Br)cc2)oc(=O)c1Cl 26846526 NRQAFBBHIVUMRX-UHFFFAOYSA-N 331.618 4.445 0 1 EIAF Cc1ccc(-c2ncccc2[C@H]2SCC(=O)N2CC(C)C)cc1 28819692 BXZISPJLLUPEGU-LJQANCHMSA-N 326.465 4.287 0 1 EIAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(C(C)C)nc32)cc1 28877821 JRPWLBOGJFSLNM-UHFFFAOYSA-N 348.406 4.267 0 1 EIAF C/C=C\C[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 33833379 LTSBAPIBOQOBOR-CQOWEHETSA-N 342.391 4.151 0 1 EIAF biogenic,in-vitro Cc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1C 33891516 QNUVLUIHLOELNP-UHFFFAOYSA-N 343.434 4.162 0 1 EIAF N=C1N[C@@](c2ccccc2)(C2CCCCC2)C(=O)N1Cc1ccccc1 34948992 AZYGPVIFZHZTAH-QFIPXVFZSA-N 347.462 4.029 0 1 EIAF COc1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72185331 NEOXVVWHXSTNLW-IBGZPJMESA-N 325.795 4.028 0 1 EIAF c1ccc(C(NCc2nnnn2C2CCCCC2)c2ccccc2)cc1 73389306 YFPLWHJKBYBQCC-UHFFFAOYSA-N 347.466 4.058 0 1 EIAF CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C2=C(O)C1 104099787 CYMAQEPQOJSZCH-OAHLLOKOSA-N 328.803 4.239 0 1 EIAF COc1ccc(-c2ccccc2OC(F)(F)F)cc1[C@H]1CCNC1 118511310 UZVDGOVSKMTGSP-ZDUSSCGKSA-N 337.341 4.338 0 1 EIAF CCCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 169327791 WYMMXVHLOHGELE-UHFFFAOYSA-N 346.386 4.493 0 1 EIAF COc1c(O)cc(/C=C/c2cc(O)cc(O)c2)cc1CC=C(C)C 207076913 XBACNDJIFDUGFM-AATRIKPKSA-N 326.392 4.491 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 238770439 UVGNAGKHBDTENQ-BWXLUZPGSA-N 330.424 4.257 0 1 EIAF Cc1cccc(NC(=O)Cc2ccc(-c3ccc4nccn4c3)cc2)c1 299822690 BBVDLKDBRHMCDC-UHFFFAOYSA-N 341.414 4.491 0 1 EIAF CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21 299857927 FULYWDQUKSUKCK-UHFFFAOYSA-N 340.467 4.110 0 1 EIAF Brc1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2n1 586887505 UOHCBWSVJNAGHA-PXAZEXFGSA-N 340.224 4.092 0 1 EIAF Clc1cc(Cl)c(Br)c(-c2nc3cncnc3[nH]2)c1 586974602 FHCFZRMZKNDEHA-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF COc1cc(OC)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1 587032411 JZGLOSRFODBRSE-UHFFFAOYSA-N 326.377 4.167 0 1 EIAF Cc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F 587079178 HGVNUYOBYBKPBV-CQSZACIVSA-N 342.805 4.388 0 1 EIAF COC(=O)[C@@H](C)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097743 NWSLFDZFQAODGJ-LBPRGKRZSA-N 345.398 4.340 0 1 EIAF COc1cc(C)c(N)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587250555 YNXLBEURIVEFNF-UHFFFAOYSA-N 337.301 4.028 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H]3C[C@H]32)[C@H]1c1ccc(F)cc1 587356183 ZCTLFKFTHDSKLO-TUTGDRGFSA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(F)F)cc1)O2 587381160 CJFRYTWMOBNYBH-GOSISDBHSA-N 333.334 4.059 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(O)c(F)c1)CC2=O 587467923 VJLZMSNPTPVYAA-IBGZPJMESA-N 348.345 4.209 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ncc1Cl)CC2=O 587473301 ZQBULWNCZCWIEP-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)ccc(C)c1O)CC2=O 587491377 USDUCTFXKNQYRQ-QGZVFWFLSA-N 326.392 4.374 0 1 EIAF C[C@]1([C@@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600665 BRSWVCSJJUYLIX-FJQFAAFVSA-N 348.398 4.325 0 1 EIAF CSC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587846324 QOWNWYCERPNSCR-XPTSAGLGSA-N 344.293 4.449 0 1 EIAF Cc1nc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1Br 587960906 QULQRGWTCJGHSE-STQMWFEESA-N 342.240 4.375 0 1 EIAF CC[C@@]1(Cc2ccc(OC)c(OC)c2)NCCc2cc(Cl)ccc21 963377642 CQQQCLYUJMROLQ-FQEVSTJZSA-N 345.870 4.351 0 1 EIAF CCOc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1 1857590180 DJUZUINFCMBZFJ-UHFFFAOYSA-N 331.375 4.168 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)[C@H](C)CNC2 1857597553 ASKCOVHCHYQPID-SECBINFHSA-N 343.477 4.190 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]23CO[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]21)[C@H]43 2356768536 QWUTUYGUGLFBMY-WPECCFJGSA-N 344.451 4.460 0 1 EIAF COc1ccc(-c2ccc(NCCC3=CCCCC3)nn2)cc1OC 4355676 XYLYYKRTFIOHRU-UHFFFAOYSA-N 339.439 4.463 0 3 EIAF O=C(O)c1ccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1 12479431 CIVCXVHZHOVCDJ-UHFFFAOYSA-N 334.253 4.121 0 3 EIAF CSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1 5522 UHAUUAGUJDZJLR-UHFFFAOYSA-N 338.502 4.018 0 1 EIAF CCN1C(=O)C[C@@H](c2ccc(OC)c(OC)c2)Sc2ccccc21 253162 FXOGGGPHVCOJNL-SFHVURJKSA-N 343.448 4.294 0 1 EIAF CCCCSc1nc([C@@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 13474570 DIMOXRYNIBRPQU-JTQLQIEISA-N 338.423 4.401 0 1 EIAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937780 JBFVCXODUHNOEN-QUCCMNQESA-N 344.861 4.303 0 1 EIAF Clc1ccc([C@H]([C@@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 26250219 ZSINOYZZEZDTLK-DLBZAZTESA-N 346.217 4.178 0 1 EIAF CCN1C(=O)N(C2CCN([C@@H](C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21 28764891 LTDPRNHZNVZARD-DFQSSKMNSA-N 349.563 4.344 0 1 EIAF CN1CCCC[C@H]1COC(=O)C(C)(c1ccccc1)c1ccccc1 43021858 PTONCNPTKJRKCL-FQEVSTJZSA-N 337.463 4.020 0 1 EIAF Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@H]1CCNC1 66112229 PDVOMSJUMYNNBT-JTQLQIEISA-N 325.742 4.151 0 1 EIAF Brc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586883666 KTSTUTKSPQFRHZ-ZGNZKYAMSA-N 332.245 4.188 0 1 EIAF Cc1ccc(-c2nnc(SCc3nc4cccc(C)c4[nH]3)n2C)cc1 586965309 IHTAJRLRFRZXLI-UHFFFAOYSA-N 349.463 4.268 0 1 EIAF Cc1c(F)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979633 SISFEMOQBXTSSX-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF O=C1c2ccccc2-c2cc(CC(=O)C3CCC3)nc3ccc(O)c1c23 586990751 GMSPUKVTURMESI-UHFFFAOYSA-N 343.382 4.064 0 1 EIAF Cc1ccc(-c2nc(-c3nc4ccc(C(N)=O)cc4[nH]3)c(C)s2)cc1 587011872 DMKIUQWNEHEZGS-UHFFFAOYSA-N 348.431 4.069 0 1 EIAF Oc1ccc2scc(-c3nc4cc(Br)ncc4[nH]3)c2c1 587032263 HDVWUIIVQNXGTN-UHFFFAOYSA-N 346.209 4.308 0 1 EIAF Fc1nc(Cl)ccc1-c1nc2cccc(Br)c2[nH]1 587177529 LSBBWTABBZWQBE-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF C[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C 587191562 MJUXOFLICHWQSG-SSDOTTSWSA-N 339.283 4.093 0 1 EIAF Cc1ccc(NC(=O)[C@@H](N=O)c2cc3c4c(cccc4n2)CC3)c(C)c1 587214029 VGVOGFPFWPCOMT-FQEVSTJZSA-N 345.402 4.396 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Cl)c1F)CC2=O 587467816 SPPMBNYYNXYVLR-CQSZACIVSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(F)c3F)CC2=O 587472666 UILCXTSBAIKOMW-HXUWFJFHSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)c1ccc(OC)cc1)CC2=O 587476192 FDETYURWZZTZOI-RNODOKPDSA-N 340.419 4.491 0 1 EIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587507240 VAJRGQOOGNMZTP-LJQANCHMSA-N 326.367 4.420 0 1 EIAF C[C@]12CC(=O)C[C@@]1(C)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587527850 WXUMXFDIDVAXIY-KOUNCHBCSA-N 338.447 4.439 0 1 EIAF C[C@H](CC1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536869 XPLQZMLRGTXXNR-VLIAUNLRSA-N 328.452 4.352 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2)N1 587854998 SVZSZUIPOQNUMJ-CLAHSXSESA-N 326.234 4.273 0 1 EIAF Cc1noc([C@H]2CCC[C@@]23NCCc2cccc(-c4ccccc4)c23)n1 962660471 CNIFHAIQNCQBEE-DENIHFKCSA-N 345.446 4.354 0 1 EIAF COc1cccc2cc3c(nc12)[C@@](C)(CCCC(F)(F)F)NCC3 963065052 IMHFQGCIFCNBKE-QGZVFWFLSA-N 338.373 4.337 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 1857581275 WYLVHBJTPIXZSO-LEKSSAKUSA-N 332.484 4.243 0 1 EIAF COC(=O)c1[nH]c2cc(O)ccc2c1-c1ccc(C(F)(F)F)cc1 1857587498 IMQMTBMIJJXORU-UHFFFAOYSA-N 335.281 4.346 0 1 EIAF COc1ccccc1CN1CCC(CNCc2cccc(C)c2)CC1 1857592514 VQSJRYMVXWZDPU-UHFFFAOYSA-N 338.495 4.005 0 1 EIAF N[C]1SC2=C(CCCC2)N1CC(=O)c1ccc(Cl)c(Cl)c1 2356834911 NGGOYORDLFSIMJ-UHFFFAOYSA-N 342.271 4.416 0 1 EIAF Cc1ccc(-n2ncc3c(SCc4cccnc4)ncnc32)c(C)c1 4271749 FOBWHVBAUPMWAP-UHFFFAOYSA-N 347.447 4.120 0 3 EIAF Fc1ccc(-c2n[nH]c(=S)n2N/C=C2\C=Nc3ccccc32)cc1 13122615 RCRAXFGBGLTZLZ-ZRDIBKRKSA-N 337.383 4.047 0 3 EIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 61907983 DCRIAOHKMGDJFW-UHFFFAOYSA-N 347.846 4.191 0 3 EIAF C[C@@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CCCO1 29410821 OHOUPBLLXCZHSW-QIDSQCPVSA-N 331.500 4.057 0 1 EIAF COc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1OC 33997930 KJLMMQQLDGIMTN-UHFFFAOYSA-N 349.312 4.409 0 1 EIAF Cc1csc2nc(OCCCN3CCCCC3)c3cccn3c12 40891618 CEQAFGRUCFGESC-UHFFFAOYSA-N 329.469 4.112 0 1 EIAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1 45285028 JLLUPEVJHDHQCE-OAQYLSRUSA-N 348.398 4.340 0 1 EIAF Clc1ccc(Cl)c(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1 66097283 XEBSFQDAOYDIMU-UHFFFAOYSA-N 344.205 4.177 0 1 EIAF Cc1ccccc1CCOc1cccc(Nc2ccccc2C(N)=O)c1 95575990 GVSZNKVRSPBGQH-UHFFFAOYSA-N 346.430 4.459 0 1 EIAF CC(C)Sc1nnc(COc2ccccc2)n1-c1ccc(F)cc1 95598421 UGXPWACSLVNSEA-UHFFFAOYSA-N 343.427 4.486 0 1 EIAF Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1-c1ccccc1 114026406 SGTXZSHCYFQAHH-UHFFFAOYSA-N 338.432 4.096 0 1 EIAF Cc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1 169346027 YOFMWNOJZBRUHV-UHFFFAOYSA-N 345.406 4.049 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C1[C@H](F)C[C@H]1F 195118467 DYKGTVVHHZGYQR-JRKPZEMJSA-N 338.206 4.016 0 1 EIAF CC(C)(C)Nc1nnc(-c2ccc3[nH]cc(C4=CCOCC4)c3c2)o1 221733748 HHDUOVPPPIAPTO-UHFFFAOYSA-N 338.411 4.232 0 1 EIAF C[C@H]1[C@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C 253731839 BVLMUEUIQIASQJ-VWMGYNLJSA-N 326.362 4.296 0 1 EIAF Cc1c(Br)ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586896248 MQZIQYQWOJLPKO-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF Cc1oc2c(c1-c1nc3cc(C(F)(F)F)ncc3[nH]1)C(=O)CCC2 586902752 FQQFGZUSZRFWLD-UHFFFAOYSA-N 335.285 4.064 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Cl)cc2[nH]1 586915552 FVHNPGSGXCMSRR-IFXJQAMLSA-N 340.810 4.433 0 1 EIAF Cc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1F 586979183 SAXBLCHXLOHECG-UHFFFAOYSA-N 334.192 4.452 0 1 EIAF Clc1cc(Cl)cc(-c2nc(-c3nc4ncc[nH]c-4n3)cs2)c1 587015864 VVIJQHMNWDLGOW-UHFFFAOYSA-N 348.218 4.402 0 1 EIAF COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C 587074981 AINJUTOIVFPICA-QGZVFWFLSA-N 341.798 4.150 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Cl)ncc(F)c3[nH]2)n1 587078867 CSAOAXNAYJREJD-ZCFIWIBFSA-N 328.178 4.238 0 1 EIAF Cc1nc2c(C)ccc3c2c(c1[C@@H](C)C(=O)O)-c1ccccc1C3=O 587099964 BOLQTEXYVYRPLN-LLVKDONJSA-N 331.371 4.251 0 1 EIAF Cc1nc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2cc1Br 587161616 OYSNNUDQIJWGLN-NEPJUHHUSA-N 346.203 4.439 0 1 EIAF Cc1cncc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587162752 DBFIBBHQJYAWDI-UHFFFAOYSA-N 346.365 4.325 0 1 EIAF Oc1nccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164447 QWJBKUBLWHGNPA-JLHYYAGUSA-N 337.379 4.453 0 1 EIAF Cc1ccc(NC2(c3nc4ccc(CCO)cc4[nH]3)CCCC2)cc1 587237807 YBYJXZINYSOTFE-UHFFFAOYSA-N 335.451 4.288 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(C)cc(Cl)cc31)O2 587379381 IFCJXRKWPUPRQE-LJQANCHMSA-N 343.810 4.182 0 1 EIAF CCOc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587397623 AEPKMXZKYVQFMB-GOSISDBHSA-N 325.408 4.299 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(F)c1F)CC2=O 587466308 NBXJSDQEYWZPLF-MRXNPFEDSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc(C)n3ccccc13)CC2=O 587486772 LEUJQUXUWZUZEO-SFHVURJKSA-N 336.391 4.007 0 1 EIAF CCn1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516941 XVCUYUKCPOXYBP-OAQYLSRUSA-N 338.451 4.279 0 1 EIAF CC1(C)C[C@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587528953 HAOVBHKVFHKUIB-KKSFZXQISA-N 342.435 4.180 0 1 EIAF O=C(O)/C=C/c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529594 PXUPAQNHOYYFPG-ACGJQVIASA-N 348.398 4.370 0 1 EIAF CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588944 VNBOKPQROUQJQK-NQIIRXRSSA-N 347.370 4.054 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587962975 KZUUYOSVAUHLDU-GDBMZVCRSA-N 334.419 4.300 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587963076 LHQGEGYRFKDJED-YUMQZZPRSA-N 346.736 4.273 0 1 EIAF O=C1CCC[C@@H]2CCC[C@]3(c4ccc(F)cc4C[C@H]4CCCN43)[C@H]12 963092623 ACRWSOXFNGPTCP-LPNJYYIDSA-N 327.443 4.211 0 1 EIAF CCc1ccc2c(c1)[C@]1(CCO2)c2c(F)cccc2C[C@@H]2CCCN21 963094205 BTPXWKTURKWOSD-HTAPYJJXSA-N 337.438 4.435 0 1 EIAF CC(C)c1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2nc1O 233972 GKUBNAGRUAJEER-UKRRQHHQSA-N 326.444 4.013 0 1 EIAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1 13740256 FGXZPRXFLNGHFB-PDGJWGCVSA-N 349.474 4.475 0 1 EIAF Cc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)o1 13816132 GVTQMUAWMCRQGB-UHFFFAOYSA-N 334.379 4.415 0 1 EIAF CC(C)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 13985482 YWXFWUFVVULXNJ-UHFFFAOYSA-N 330.516 4.098 0 1 EIAF O=C(O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1 14954853 DWOLUZVOAOPIIX-UHFFFAOYSA-N 336.395 4.378 0 1 EIAF CN(C)C[C@@H](c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1 26733552 DIJHWDLCXYFXRM-INIZCTEOSA-N 329.406 4.436 0 1 EIAF CCOC(=O)[C@@H](CCc1ccccc1)Nc1nc2ccccc2s1 28006910 NBRVQPCDYCJVCI-MRXNPFEDSA-N 340.448 4.273 0 1 EIAF CCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(O)c1 28523897 KCUUTQRYMODZFC-QGZVFWFLSA-N 328.799 4.133 0 1 EIAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCC3 28948893 PTVVUJNPHSVYLK-UHFFFAOYSA-N 346.452 4.187 0 1 EIAF CN(Cc1ccccc1)C[C@H](O)C(c1ccccc1)c1ccccc1 39245448 VAMLBGZHUBDZNK-QFIPXVFZSA-N 331.459 4.311 0 1 EIAF N=C(Nc1ccc2c(ccn2CCCNC2CC2)c1)c1cccs1 72106068 JYBKRSREWGURPX-UHFFFAOYSA-N 338.480 4.282 0 1 EIAF COc1cc(CCC(=O)SCc2ccccc2)cc(OC)c1OC 73349708 OLWQQKDOULYESD-UHFFFAOYSA-N 346.448 4.105 0 1 EIAF Cc1nc(C2CCCCC2)nc(Nc2n[nH]c3ncc(F)cc23)c1C 114837996 NRFNSOIBXUBPGR-UHFFFAOYSA-N 340.406 4.295 0 1 EIAF CCC[C@]1(CC)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 138567738 KEUJJTRTIUPKJJ-MRXNPFEDSA-N 345.222 4.392 0 1 EIAF Cc1cc(Nc2ccc3ccccc3c2)n2nc(C(F)(F)F)nc2n1 206510330 ZLKAPPDHSYUHHR-UHFFFAOYSA-N 343.312 4.348 0 1 EIAF CCOC(=O)/C=C/c1cccc(NC(=S)Nc2ccccc2)c1 299831719 QQVSZFYSXFVVNQ-VAWYXSNFSA-N 326.421 4.072 0 1 EIAF Oc1ccc(-c2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 586899093 SVYGJFXTMKKVLM-UHFFFAOYSA-N 344.370 4.374 0 1 EIAF CC(C)COc1cc2nc(C3=COCC3)[nH]c2cc1Br 586913048 KYCPIWYKKSTENW-UHFFFAOYSA-N 337.217 4.121 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(F)c1Cl)[C@@H](C2)C3=O 587425531 DOTHHTMBEVCKIT-DYZYQPBXSA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccccc1F)CC2=O 587466826 MXYMBRAEKOTTLZ-FQEVSTJZSA-N 328.383 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1F)CC2=O 587467991 VQMFDVAJTSCXNA-GOSISDBHSA-N 330.355 4.199 0 1 EIAF O=C1C[C@H](c2cc(Cl)nnc2Cl)Oc2c1ccc1c2CCCC1 587498610 JICGKNFZWVXWNJ-CQSZACIVSA-N 349.217 4.369 0 1 EIAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529230 LYIKOBVJOHFEHZ-GCPVUHDESA-N 340.463 4.086 0 1 EIAF CC[C@]1(/C(C)=C/OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808543 OJNFXDXWSLLQGF-ZDUFPXEASA-N 342.252 4.278 0 1 EIAF COc1cccc(C[C@H]2CCC[C@]3(C2)NCCc2ccc(O)cc23)c1 963344084 YGXKJTYLTRCZLE-VGOFRKELSA-N 337.463 4.175 0 1 EIAF CC[C@@H](O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1 1772598943 SAUMCUQQDUAVFI-JLTOFOAXSA-N 349.434 4.011 0 1 EIAF CN=c1[nH]nc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)o1 1857750210 OSUOEFXJJZRTRN-UHFFFAOYSA-N 348.431 4.299 0 1 EIAF CCCCC[C@@H](O)C=CC=C[C@@H](CCCCCCC(=O)O)CNC 2356775635 OHARIIBWMLIIBY-RTBURBONSA-N 339.520 4.301 0 1 EIAF CCc1ccc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 3188992 RVMYNPKHWMIESL-UHFFFAOYSA-N 329.240 4.221 0 1 EIAF biogenic COc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)=C2 13760538 CQXXOUAHPSOSEL-UHFFFAOYSA-N 348.490 4.237 0 1 EIAF COc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1 13864644 PEHVEOPLWVVLAE-UHFFFAOYSA-N 348.358 4.051 0 1 EIAF Cc1ccc(-c2cccc(-c3ccc(CNCCN(C)C)cc3)n2)cc1 22590804 FPLQEUULNMWXCK-UHFFFAOYSA-N 345.490 4.375 0 1 EIAF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1O 28710723 PXOHQDXKTGGDLH-UHFFFAOYSA-N 332.359 4.377 0 1 EIAF COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(N)cc2)cc1 29409812 LSRVZDWLTQYIEE-UHFFFAOYSA-N 333.313 4.149 0 1 EIAF Cc1cc(N(C)c2cncnc2)cc(OCc2cccc(Cl)c2)n1 36352035 AMXQQNOPZVBITB-UHFFFAOYSA-N 340.814 4.180 0 1 EIAF CN(C)c1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1F 96934954 IDESEZXBCLVUTD-ZZXKWVIFSA-N 341.338 4.108 0 1 EIAF CC(C)Sc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224740880 GJERLRFFDGPKHA-UHFFFAOYSA-N 340.427 4.427 0 1 EIAF Cc1nc(Br)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587010634 FVYBNFHWYMPFEH-UHFFFAOYSA-N 348.147 4.175 0 1 EIAF O=C(O)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033566 XFVOZQKGIGRIPS-UHFFFAOYSA-N 349.415 4.269 0 1 EIAF Clc1ccc(-c2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)nn1 587085425 RTJXDRHFPXGIQO-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF C[C@H](c1nc2c(Cl)ncnc2[nH]1)c1ccccc1C(F)(F)F 587098065 QMLUBNMYAXNBKU-ZETCQYMHSA-N 326.709 4.177 0 1 EIAF Fc1ccc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587168805 NCTFVQCKBMNLOR-UHFFFAOYSA-N 326.249 4.180 0 1 EIAF CCOC(=O)c1oc2c(c1C)-c1nc3cccc4c3c(c1CC2)CC4 587215532 JDGHHCWKHZMGPK-UHFFFAOYSA-N 333.387 4.177 0 1 EIAF Nc1c(-c2nc3c(Br)ccnc3[nH]2)ccc2ccccc12 587254752 WXBLSVKFIPZOCQ-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF COc1ccc(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376966 DYZSPKDCOUBBEK-SFHVURJKSA-N 331.799 4.120 0 1 EIAF CCc1cccc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587438367 NXPFUCUMXXVQQQ-QVKFZJNVSA-N 333.387 4.228 0 1 EIAF CCSc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451051 IUKLIVXWEOHAMT-FOIQADDNSA-N 340.444 4.470 0 1 EIAF C[C@]1(c2cc(N)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506000 NDWXDMZEQYNQRX-HXUWFJFHSA-N 325.383 4.167 0 1 EIAF O=C1C[C@@H](c2cc(F)c(O)cc2F)Oc2c1ccc1c2CCCC1 587507836 UEYMHPAAVJMIMV-SFHVURJKSA-N 330.330 4.256 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)co1 587550397 ADYVCPUTRJJPRK-YJBOKZPZSA-N 342.734 4.342 0 1 EIAF Fc1cccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874254 ZKRRDQJIEAUSDC-UHFFFAOYSA-N 329.331 4.179 0 1 EIAF COc1ccc(/C=C\Cc2nc3cc(F)cc(F)c3[nH]2)c(OC)c1 587929723 PCAMAHAFIHHCGZ-ARJAWSKDSA-N 330.334 4.114 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C(C)(C)c1ccccc1 963641868 YALPQGVQFKQVGI-VLIAUNLRSA-N 325.452 4.257 0 1 EIAF CO[C@@H](C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857763578 YABIGLAUDNERGH-MEDUHNTESA-N 344.867 4.334 0 1 EIAF COc1ccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)cc1 61930654 OOJVKCWTTREHTO-QGZVFWFLSA-N 345.395 4.048 0 3 EIAF CC(C)c1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1 14946547 KKAIKKAIYIYIEA-UHFFFAOYSA-N 341.436 4.292 0 1 EIAF COC[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26741833 ZZIPSMYMPYBWER-LPGQDOADSA-N 325.408 4.031 0 1 EIAF COc1cccc2cc(CSc3nc4ccccc4o3)c(=O)oc12 40423882 QFHDLFZIJGAMLQ-UHFFFAOYSA-N 339.372 4.235 0 1 EIAF CCCCCCN1CCC(NCc2cccc(-n3ccnc3)c2)CC1 45230820 QIGAQPKZJNTSPX-UHFFFAOYSA-N 340.515 4.007 0 1 EIAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 82203899 NXMJLPDLXZFTEH-LLLHUVSDSA-N 346.519 4.025 0 1 EIAF COc1cc2c3c(ncc(Br)c3c1)-c1ccccc1C2=O 95594890 GDUPXXWNQPSZKY-UHFFFAOYSA-N 340.176 4.217 0 1 EIAF C[C@@]12Cc3cn[nH]c3C[C@H]1CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 100299218 LKAJKIOFIWVMDJ-XBWRGPFISA-N 328.500 4.118 0 1 EIAF world C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 118936114 NQIFHFSJVHGNMO-WMDILHMSSA-N 332.528 4.245 0 1 EIAF Cc1oc2c(c1-c1nc3cccc(Br)c3[nH]1)C(=O)CCC2 586904647 XORCKONVWKNITH-UHFFFAOYSA-N 345.196 4.413 0 1 EIAF CSc1ccc2nc(-c3sc(Br)nc3C)[nH]c2c1 587015135 YDSVTVHFQRGZQM-UHFFFAOYSA-N 340.271 4.479 0 1 EIAF Nc1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1N 587076061 IDRSZOATUKUYDG-UHFFFAOYSA-N 335.798 4.110 0 1 EIAF O=C(O)c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1F 587087044 HDDBQDNYJQAFMC-UHFFFAOYSA-N 329.718 4.202 0 1 EIAF CC(=O)O[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096164 HKOQOLZEHOXCIF-GFCCVEGCSA-N 331.371 4.379 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 587109811 VPPXPLJXMQSNIW-UHFFFAOYSA-N 338.260 4.394 0 1 EIAF Oc1nccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149207 HXJKCDZATWKNOE-INIZCTEOSA-N 334.354 4.004 0 1 EIAF CC(C)Oc1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177522 LILZLDGCFATQMR-UHFFFAOYSA-N 340.402 4.151 0 1 EIAF CCOC(=O)CNc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587225818 VBEHUPDTRCSPRO-UHFFFAOYSA-N 349.434 4.084 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(C(C)C)O2 587381344 HLGHGJYOLGAIKZ-LJQANCHMSA-N 331.362 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1-c1ccc(F)cc1)O2 587384706 NKFQQZAKCAFGDL-IBGZPJMESA-N 348.377 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)noc1-c1ccccc1)[C@@H](C2)C3=O 587435890 JYQKWMSCCSZTMG-BTYIYWSLSA-N 347.370 4.147 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O 587437050 CHKIGGOUIBSRJA-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF COc1cc2c3c(c1)O[C@]1(Cc4cccc5cccc1c45)[C@@H](C2)C3=O 587446264 BFXXRQBZYPJNFY-JTSKRJEESA-N 328.367 4.047 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(CCSc1ccccc1)[C@@H](C2)C3=O 587449810 CYLSLCOILVQBBS-JXFKEZNVSA-N 340.444 4.384 0 1 EIAF O=C1C[C@@H](Cc2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587508458 VQQYHGTUQZIBHU-OAHLLOKOSA-N 328.358 4.420 0 1 EIAF O=C1C[C@@H](c2ccccc2-n2cccn2)Oc2c1ccc1c2CCCC1 587517246 JZNXWDLBOZEFQB-NRFANRHFSA-N 344.414 4.458 0 1 EIAF Cn1cc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 587517430 MYOSBUOCKXHKSO-IBGZPJMESA-N 332.403 4.159 0 1 EIAF CCCC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520889 BOISSZPKNVXSKB-FQEVSTJZSA-N 330.424 4.023 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587584675 ADSXYUPIPVRRGZ-GHTZIAJQSA-N 347.370 4.107 0 1 EIAF COC(=O)Cc1c(-c2ccccc2N)[nH]c2c(C)cc(Cl)cc12 587627196 PEJPZJFNNODKHM-UHFFFAOYSA-N 328.799 4.094 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)cc1 587936655 XSRRVYLSJSOYGN-UHFFFAOYSA-N 343.386 4.004 0 1 EIAF COc1ccc2sc(C(=O)N(C)Cc3ccccc3F)cc2c1 1772572446 YQICBNKNUKKQSG-UHFFFAOYSA-N 329.396 4.321 0 1 EIAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CO)CCC[C@@]21C 2356503776 SKZKDRKVEQOQIT-HJNYFJLDSA-N 344.495 4.487 0 1 EIAF CCc1c(C)nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c1=O 103726498 DWFMVJVQLRMACU-UHFFFAOYSA-N 329.403 4.227 0 3 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@](C)(O)C[C@@]12C 253779100 LZCICCXBBYHFCF-PWHRPBSJSA-N 346.511 4.164 0 3 EIAF c1ccc2c(c1)c1c(n2CCOCCN2CCCCC2)CCCC1 1855330 LUHVHGMEYBCDJD-UHFFFAOYSA-N 326.484 4.023 0 1 EIAF CCCCCC(=O)c1cccc(OCc2cccc(C(N)=O)c2)c1 25984701 QPGYZBXLCKUACH-UHFFFAOYSA-N 325.408 4.128 0 1 EIAF Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)sc2n1 27547257 SPNSHPCDWCPUOM-UHFFFAOYSA-N 342.371 4.026 0 1 EIAF COc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 28645043 AXPSYSNPKBQUGG-ZBFHGGJFSA-N 338.451 4.087 0 1 EIAF biogenic O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cccc(F)c1F 72101524 SQIGGKCRRDBUFQ-GOSISDBHSA-N 331.749 4.297 0 1 EIAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C)cc1 82156944 VLIWEURUFFPTKT-WJDWOHSUSA-N 346.224 4.384 0 1 EIAF O=C1CCc2cc([C@@H](c3ccccc3)c3cccnc3)cc3c2N1CC3 95597566 HIKPYRJBXFYBLG-QFIPXVFZSA-N 340.426 4.097 0 1 EIAF O=C(Nc1cc(O)c(Cl)cc1Cl)c1cc(Cl)ccc1O 95598148 CUYOUHRYAJOXNR-UHFFFAOYSA-N 332.570 4.310 0 1 EIAF Cc1[nH]n2c(=O)cc(-c3ccccc3Cl)nc2c1-c1ccccc1 102996845 NVQYTRCLBBJXJF-UHFFFAOYSA-N 335.794 4.318 0 1 EIAF Clc1ccc([C@@H](C[C@H]2CCCCO2)Cn2cncn2)c(Cl)c1 230558396 ZLCZZBPSNLEAIT-GXTWGEPZSA-N 340.254 4.328 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586914818 YGTUIZROSFOCSN-IONNQARKSA-N 344.640 4.046 0 1 EIAF CCCCCOc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br 586918857 RKFGIIPEQBNEOA-LKFCYVNXSA-N 339.233 4.354 0 1 EIAF Cc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587077786 XVMCIHLISKIXCY-MRXNPFEDSA-N 326.831 4.257 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587176416 STQYJEQGIYEASJ-UHFFFAOYSA-N 331.565 4.043 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1C)O2 587392229 XPOXQFBLMXDAHB-IBGZPJMESA-N 347.418 4.086 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(C)(C)C)CC2=O 587476881 BIKGUIHJQGXNGT-FQEVSTJZSA-N 348.439 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O)cc1)CC2=O 587482992 QBHHTDDRJPZWGA-OAQYLSRUSA-N 340.419 4.407 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C(=O)O)c1)CC2=O 587491917 XJNPPSBVWGEKRS-GOSISDBHSA-N 340.375 4.058 0 1 EIAF C[C@]1([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600662 BRSWVCSJJUYLIX-AWVNVPCYSA-N 348.398 4.325 0 1 EIAF CNc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746010 YKXROHHZLBWLDI-BMLIUANNSA-N 349.247 4.254 0 1 EIAF CCO/C=C(\C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795711 JBOHHKHIEUWSAO-LVZDVLHWSA-N 328.225 4.104 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc[nH]c32)N1 587802562 MYAKGTSZVCHKNG-QGHHPUGFSA-N 349.247 4.030 0 1 EIAF CCC(=O)C[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814537 UBKFPUGBOHPYRU-HWPZZCPQSA-N 342.252 4.097 0 1 EIAF CCC(CC)C[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962713209 TYVNJQJRIYQVPI-GJZGRUSLSA-N 347.352 4.311 0 1 EIAF Cc1cn2c([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c(C)nc2s1 963107105 NQVJFSMOCRMULV-MAUKXSAKSA-N 341.455 4.262 0 1 EIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(Cl)cccc3C2)cc1 1772649123 USGPXWHCXJYTHR-AWEZNQCLSA-N 342.870 4.095 0 1 EIAF O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)OCC1CCNCC1 1911586015 KCEZOSVHPLHUHT-UHFFFAOYSA-N 346.377 4.180 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)O)=CC[C@H]32)C1 2356446080 XGTRFWNUPBJUPH-TUXLVGOESA-N 329.528 4.454 0 1 EIAF CC(C)c1c(O)ccc2c1C(=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356527089 WDDXJPVDQFRGNC-CWFSZBLJSA-N 330.424 4.251 0 1 EIAF Cc1cn2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(C)nc2s1 5892904 IHLARSOVCHZAGF-WUXMJOGZSA-N 329.812 4.159 0 1 EIAF COc1ccc(/C=C/C(=O)Oc2cccc3ccc(C)nc23)cc1OC 5931197 CPHKRMYYWIZKOQ-FMIVXFBMSA-N 349.386 4.179 0 1 EIAF COC(=O)c1c(O)cc(O)c(CC=C(C)C)c1CCc1ccccc1 13334649 DMYYCQUAOQRFAC-UHFFFAOYSA-N 340.419 4.178 0 1 EIAF biogenic CO[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C)C2=C1C=C(C(C)C)C(=O)C2=O 14442169 PGEGRYFGUKEQBL-VWKPWSFCSA-N 330.468 4.269 0 1 EIAF biogenic COc1c(C(C)C)cc2c(c1O)C=C1C=C[C@@H](O)C(C)(C)C1=CC2 14721141 OIJGSCCWBLTLDK-GOSISDBHSA-N 326.436 4.347 0 1 EIAF biogenic NCc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl 14948331 CTFXGZSHNLIYDI-UHFFFAOYSA-N 345.233 4.158 0 1 EIAF C[C@H](Oc1ccc(Oc2ccc3ccc(F)cc3n2)cc1)C(=O)O 26840140 AVRDZUXPBKGOFR-NSHDSACASA-N 327.311 4.018 0 1 EIAF O=C1c2c(O)cccc2C(=CCc2ccccc2)c2cccc(O)c21 27330211 MXYXIJUPSCDQKS-UHFFFAOYSA-N 328.367 4.317 0 1 EIAF Cc1cc([C@H](O)[C@@H]2CCCCN2)c2cc(Cl)cc(Cl)c2n1 27523741 QIXTUMJGEJXBCI-HOCLYGCPSA-N 325.239 4.026 0 1 EIAF c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1 28572775 DDHPCGBORXFZEH-UHFFFAOYSA-N 341.418 4.438 0 1 EIAF CCn1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21 29567561 WPNKTWXQGRCLGL-UHFFFAOYSA-N 348.494 4.175 0 1 EIAF O=C(Nc1ccc(Cl)cc1)C1=CCN(c2ncccc2Cl)CC1 34433880 WECMDXJIAXDLHA-UHFFFAOYSA-N 348.233 4.164 0 1 EIAF O=C1C(=O)N(Cc2ccc(F)cc2F)c2c(Cl)ccc(Cl)c21 40874752 FYWCPFQCWXLIEW-UHFFFAOYSA-N 342.128 4.001 0 1 EIAF NC[C@@H](NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40893567 ZSJZLUDDBSGIPE-GOSISDBHSA-N 348.475 4.081 0 1 EIAF CCOC(=O)c1nn(C(=O)c2cccc3ccccc23)c2ccccc12 72176668 IEZMBLKUPWPKMA-UHFFFAOYSA-N 344.370 4.055 0 1 EIAF Cc1c(C)n(C[C@@H](O)CSc2ccc(O)cc2)c2ccccc12 84688135 RIWCEXVWXXPKPD-MRXNPFEDSA-N 327.449 4.117 0 1 EIAF CN(C(=O)c1ccc(-c2ccccc2O)s1)c1cccc(O)c1 95585174 PJPOKXIJMWTPRV-UHFFFAOYSA-N 325.389 4.103 0 1 EIAF O=C(c1ccc2c(c1)ncn2-c1ccc(Cl)cc1)N1CCCCC1 103226065 HLXNLMAEIDNYRY-UHFFFAOYSA-N 339.826 4.305 0 1 EIAF Fc1ccc(NC(=S)c2ccco2)cc1-c1nc2ncccc2o1 103259381 GVTCVYRZAPXMGA-UHFFFAOYSA-N 339.351 4.410 0 1 EIAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC1 169354730 FAEJVRZJKQNLJF-HVTRESONSA-N 331.500 4.343 0 1 EIAF O=C(NCc1cccs1)c1ccccc1NC(=O)C1CCCCC1 224883932 BNZOKFJIZHNIAD-UHFFFAOYSA-N 342.464 4.197 0 1 EIAF CCCC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCC1 586877821 QZPAVPRXAVHUCD-UHFFFAOYSA-N 346.374 4.078 0 1 EIAF COc1cccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 587027246 SGVHLXKICSSSKJ-UHFFFAOYSA-N 325.393 4.187 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587089098 YCUAYJIDVNZYCU-ZCFIWIBFSA-N 333.716 4.244 0 1 EIAF COc1cc2c(c(OC)c1OC)-c1nc3cccc4c3c(c1CC2)CC4 587212523 ASQSXFBNCAPMHA-UHFFFAOYSA-N 347.414 4.125 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587242137 HPIDJUQJDSDAKV-UHFFFAOYSA-N 333.313 4.131 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)cc1F)O2 587381937 ITPCCTTUOFBKKY-OAHLLOKOSA-N 337.297 4.024 0 1 EIAF COc1cc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587399887 NEWUMXZBSFFLGF-HXUWFJFHSA-N 325.408 4.083 0 1 EIAF COc1cc2c3c(c1)OC(c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587446521 YIJSMAZRYUDRRV-IBGZPJMESA-N 342.394 4.386 0 1 EIAF CCN[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511781 NMLNBRUFGSGTKP-QMHKHESXSA-N 349.474 4.424 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sccc1F 587568129 LCIWZHSJDWXKER-WMLDXEAASA-N 342.347 4.296 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1 587570926 MUCYDBAGIMUSJW-PXNSSMCTSA-N 336.318 4.234 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587610748 RJVZDCKBUODVHD-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)o2)N1 587708513 YIDORZXUNSYOON-WJWGPLDTSA-N 344.611 4.458 0 1 EIAF CC(C)Oc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873436 FIDWAWOHSINDES-UHFFFAOYSA-N 338.338 4.271 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3cncc(OC)c3[nH]2)cc1 587937569 PLQZFLZFCFOGII-LJQANCHMSA-N 345.402 4.155 0 1 EIAF Cc1c(F)ccc2c1[C@@]1(CCCC[C@@H]1N1CCCCCC1)NCC2 962299583 OPMYNPFAZOBBRA-FPOVZHCZSA-N 330.491 4.294 0 1 EIAF C[C@@H](O)c1cnc([C@@H]2NCCc3cccc(-c4ccccc4)c32)s1 962673067 ZOCNQHQPADTVAQ-BFUOFWGJSA-N 336.460 4.099 0 1 EIAF COc1ccc(F)cc1[C@@H]1C[C@@H]1CNCc1ccccc1OCCF 1772590686 RWVUVCPDTBPDCJ-NVXWUHKLSA-N 347.405 4.076 0 1 EIAF Cc1[nH]c2ccc(Br)cc2c1C[C@H](N)c1ccccc1 1857536810 CIYJDUPKOYZOCL-INIZCTEOSA-N 329.241 4.481 0 1 EIAF COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(N(C)C)cc2)n1 1857606317 PTPKWAJKSSPKGY-UHFFFAOYSA-N 345.402 4.236 0 1 EIAF CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O 1857614080 MPSGWGHFIVPXRX-UHFFFAOYSA-N 342.527 4.122 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 2356437012 CVAKRAZZOFTNQL-VOMKJEOTSA-N 330.424 4.257 0 1 EIAF CC(C)C(=O)c1c(O)cc2c(c1O)C[C@H]1C(C)(C)CCC[C@]1(C)O2 14514167 CDSIDDNDJFYVNH-YWZLYKJASA-N 332.440 4.456 0 1 EIAF biogenic C[C@]12CC[C@@H]3[C@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC1CC1 25963869 AXYMUXKMWNDOHO-JFGZCMJWSA-N 342.479 4.245 0 1 EIAF CCCN1CCN(CCC)[C@H]2c3c(C)c4ccccc4n3CC[C@@H]21 27307370 RFFFXCJAXQLALO-PZJWPPBQSA-N 325.500 4.201 0 1 EIAF CNC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063440 OLUJGHHSUBIPGI-UHFFFAOYSA-N 341.414 4.111 0 1 EIAF CCCc1cc(N)c2cc(NC(=O)CCc3ccccc3)ccc2n1 34322395 PUTFBYWJVTVHRL-UHFFFAOYSA-N 333.435 4.341 0 1 EIAF CN(C)c1cccc(CCNCCc2c[nH]c3ccc(Cl)cc23)c1 45229310 OPJLAJSPSMLCTI-UHFFFAOYSA-N 341.886 4.262 0 1 EIAF Nc1cc(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl 84632134 VCCMPDALPAMAII-UHFFFAOYSA-N 339.613 4.477 0 1 EIAF CC(C)=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C)(C)[C@@H](O)C3 238738194 KWFSDFIFEPRPTE-SFHVURJKSA-N 342.435 4.111 0 1 EIAF Cc1cc(Br)c2[nH]c(Cc3sc(C)nc3C)nc2c1 587011228 DZHFOZBDZLNSGU-UHFFFAOYSA-N 336.258 4.298 0 1 EIAF Clc1[nH]c2ccccc2c1-c1nc2cc3c(cc2[nH]1)OCCO3 587088283 VZACXOHGIZAHAU-UHFFFAOYSA-N 325.755 4.136 0 1 EIAF CNc1c(F)cccc1-c1nc2ccc(Br)c(C)c2[nH]1 587135489 DCDIFTBDRNZULH-UHFFFAOYSA-N 334.192 4.482 0 1 EIAF Nc1ccc(-c2ccc3nc(-c4ccc(F)c(F)c4)[nH]c3c2)cc1N 587144860 DTYASMHUGJJUGF-UHFFFAOYSA-N 336.345 4.340 0 1 EIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cnccc3[nH]2)c1 587158313 CAFSXIXTZBXZEO-UHFFFAOYSA-N 333.366 4.363 0 1 EIAF Nc1cc(Br)ccc1-c1cc2c3c(cccc3n1)CC2 587208594 VLBJXDDSFBKCRD-UHFFFAOYSA-N 325.209 4.345 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c1C 587239708 VDUOQOWMGSEGMC-UHFFFAOYSA-N 349.221 4.063 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccsc3)s1)O2 587414249 SFLKQYPLOGEZDJ-CQSZACIVSA-N 342.445 4.469 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O 587422946 HEQVSIMLGIHBDX-VOJFVSQTSA-N 332.758 4.285 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1c(C)cccc41)[C@@H](C2)C3=O 587437729 JMWOYNJWUFCXBY-AOMKIAJQSA-N 345.398 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Cl)cc1F)CC2=O 587465819 HAXXNPSIJCTXQP-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(F)cc1)CC2=O 587469150 XAFGVRYAVZMQGI-HNNXBMFYSA-N 328.383 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccccc1F)CC2=O 587469238 YTYSZMQRCCPKPM-AWEZNQCLSA-N 328.383 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)c[nH]c3nccc1-3)CC2=O 587470268 GIHDJLSEBCCUBE-INIZCTEOSA-N 340.354 4.018 0 1 EIAF Oc1nc2cc3nc(Cc4cccc(-c5ccccc5)c4)[nH]c3cc2[nH]1 587961086 IKNUJNIMJOHRKU-UHFFFAOYSA-N 340.386 4.403 0 1 EIAF Cc1cc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc(C)c1O 1857593813 UMSQZLXQTZDWSX-UHFFFAOYSA-N 331.375 4.091 0 1 EIAF C=CC(=O)Nc1cc(N(C)c2cc(C)nc3ccccc23)ccc1OC 1857747851 DKBFJTRWCFXFBP-UHFFFAOYSA-N 347.418 4.444 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C[C@H]12)OC(=O)[C@@H]3C 2356626955 QPYNKFVRSIYHQA-CHWPNSNGSA-N 332.440 4.158 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@H]3CCC[C@H]1[C@]32C 2356647173 DEFMCBVSKBZNPH-QILFHMFJSA-N 344.407 4.173 0 1 EIAF COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1)CCC4)CCC2 1855372 MWZSNICWASNBDF-UHFFFAOYSA-N 346.470 4.408 0 1 EIAF Cc1cccnc1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl 5931432 UDEVNDKECVYRBP-OAHLLOKOSA-N 339.247 4.475 0 1 EIAF Cc1ccc(Oc2cn(C)c(=O)c(Nc3ccc(F)cc3)n2)c(C)c1 28110009 UMWJSCQCQVGSKB-UHFFFAOYSA-N 339.370 4.072 0 1 EIAF CC[C@@H](c1ccccc1)N1CC[C@@H](Oc2cccc3ccc(N)nc23)C1 28385778 UBLUGNHBXHKVSI-MOPGFXCFSA-N 347.462 4.421 0 1 EIAF Fc1ccc(N2CCN(CCCSc3ccccc3)CC2)cc1 28886693 BCOPQARINQHIKU-UHFFFAOYSA-N 330.472 4.130 0 1 EIAF Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC2(CCCC2)CC1 34802252 MGTADWHLHADAMM-UHFFFAOYSA-N 326.488 4.397 0 1 EIAF CC(C)CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO 36375232 LCVIGZGNMQADJV-UTSMFGRCSA-N 342.520 4.386 0 1 EIAF C[C@H](Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(F)cc1 63539583 IXMXIYMXYNPPHI-ZDUSSCGKSA-N 333.370 4.128 0 1 EIAF OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2Cl)CCC1 103931197 QVGCZJBBUKSCMV-CQSZACIVSA-N 335.194 4.256 0 1 EIAF Cc1nc(N(C)c2ccc(N)cc2Br)c2ccccc2n1 136445936 LXLCQABGYLAVOO-UHFFFAOYSA-N 343.228 4.051 0 1 EIAF Cc1ccc(Cl)cc1Nc1nccc([C@H]2C=NN3C=CC=C[C@H]23)n1 169720369 VKFGTQLGVBXMLC-RHSMWYFYSA-N 337.814 4.019 0 1 EIAF CC(=O)C[C@@]1(O)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 205839436 WJDNZDJWZBAWCP-NRFANRHFSA-N 334.371 4.080 0 1 EIAF COSCCCCCCNC(=O)NCCCCCCSC 238782790 DMKADWNNGUVVSH-UHFFFAOYSA-N 336.567 4.064 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586881545 XHSFIXOGZOARRD-VMPITWQZSA-N 348.280 4.226 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C1CC1)C3 586989608 CKLMNSZXINZICV-LBPRGKRZSA-N 327.383 4.277 0 1 EIAF Cc1ccc2c(ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c32)n1 587044133 PNAAGGSAHPHKJD-UHFFFAOYSA-N 346.415 4.131 0 1 EIAF Cc1c(-c2cnn(C)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097913 QRLRBKKGKLEJJK-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF CCOc1cc(/C=C/c2nc3cccc(O)c3[nH]2)ccc1OC(F)F 587131348 YBRIPFKXJZJMHC-VQHVLOKHSA-N 346.333 4.439 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3ccccc13)O2 587382461 PXYCEZJPJMHTSC-OAHLLOKOSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1c1ccc(F)cc1)O2 587386448 YSZPCGNFGZGHFT-OXQOHEQNSA-N 325.383 4.388 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1O)O2 587405979 ZNISDWWTTFBFSF-GOSISDBHSA-N 325.408 4.287 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4cccc(Cl)c41)[C@@H](C2)C3=O 587423043 SREKMUVUYTYREK-XOBRGWDASA-N 340.806 4.328 0 1 EIAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCCc4ccccc41)[C@@H](C2)C3=O 587447817 VWFZOPRHJSDODP-FGSXEWAUSA-N 334.415 4.321 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O 587454587 YYMJBWNAJQGGNN-LIRRHRJNSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(O)c1)CC2=O 587462317 YBCWMAKYQPUPJZ-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF Cc1ccnc2c1c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587515988 QANZTYOTBHFBTR-LJQANCHMSA-N 346.430 4.467 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2Cl)N1 587697152 MRLVJJYXDJMOND-JKYUHCHBSA-N 343.627 4.193 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 587933153 KZCFUIFBVBAUOP-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)cnc2N1 653780462 JOQJVLPWFVXCGD-ZDUSSCGKSA-N 325.220 4.163 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cnc2ccsc2c1 963046237 IQZXRKGXSPBLNV-IBGZPJMESA-N 347.443 4.088 0 1 EIAF COc1cc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)ccc1S 963102762 RYXZLUOURQYUDM-OXQOHEQNSA-N 343.467 4.407 0 1 EIAF O=C(Oc1ccc2sc(=O)oc2c1)c1cccc(C(F)(F)F)c1 264858 ZZPKWPGXBHKBQD-UHFFFAOYSA-N 340.278 4.093 0 1 EIAF O=C(NCCC1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 13745789 KMGNWRYIESBIAZ-JXMROGBWSA-N 348.490 4.232 0 1 EIAF Cc1ccc2c(c1)[C@H](SCCN1CCOCC1)c1ccccc1O2 25974056 PUYTYGJFWIQNEM-HXUWFJFHSA-N 341.476 4.256 0 1 EIAF CC(=O)N1CCC[C@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26952398 WPMYIIBVFOXKEL-PPUJWOGTSA-N 347.543 4.381 0 1 EIAF COc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 27546481 DKFSLQBZVWOHFK-HXUWFJFHSA-N 328.408 4.283 0 1 EIAF CC(C)CCNc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 27978410 QLHUWGJZHKNWKG-UHFFFAOYSA-N 339.391 4.329 0 1 EIAF CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)OCC(F)(F)C(F)(F)F 28371449 XSANZUMGYVBQLE-MJKAUQOVSA-N 342.304 4.069 0 1 EIAF c1cc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)c2ccsc2c1 28653644 LOUMDQLKJNIXQB-RTBURBONSA-N 345.508 4.104 0 1 EIAF CC(C)(Cc1ccccc1)NC1=NCCN=C(c2ccccc2F)C1 36270482 VFMYMKYWVUMSKV-UHFFFAOYSA-N 337.442 4.028 0 1 EIAF CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43011378 MKJZHIURZNDKLM-UHFFFAOYSA-N 339.414 4.217 0 1 EIAF Clc1ccc2c(NCCN3CCc4ccccc4C3)ccnc2c1 64573392 VQRGGQFUYQFNLV-UHFFFAOYSA-N 337.854 4.358 0 1 EIAF COc1ccc(-c2nc(CN[C@@H](C)CCc3ccccc3)co2)cc1 72182268 HMBDCMYJNXHFID-INIZCTEOSA-N 336.435 4.461 0 1 EIAF CCCOc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1 96167480 WYBMASMYTQURFE-HNNXBMFYSA-N 342.439 4.120 0 1 EIAF Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)cc1Cl 96284411 YPGJCORDTFAJPM-QHHAFSJGSA-N 344.729 4.428 0 1 EIAF CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 101717490 SDBNKYOFOAJKOV-GHNGSUTGSA-N 349.390 4.243 0 1 EIAF CCCCCc1cn(-c2ccc(CCN3CCCCC3)cc2)nn1 103275240 DKJUYAGAZZZMMM-UHFFFAOYSA-N 326.488 4.028 0 1 EIAF CC[C@@](C)(CN)c1cccc(-c2ccnc3[nH]nc(C(F)(F)F)c23)c1 167640438 FVLINCCRNSKXDY-KRWDZBQOSA-N 348.372 4.270 0 1 EIAF CCC/C=C\COC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169363336 VYMTVUHJJJHELN-UXCSBWOOSA-N 336.472 4.354 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 194874452 JTVHQWNUCRXUJU-RLDYGABPSA-N 336.472 4.414 0 1 EIAF COc1cc(C(=O)NCc2ccccc2C(C)C)ccc1-c1cn[nH]c1 223836685 LOEIHODTJKUQCJ-UHFFFAOYSA-N 349.434 4.139 0 1 EIAF COc1ccccc1-c1cc2c(NCc3ccncc3)ncnc2s1 299858824 HBDOUFVMKNZUHW-UHFFFAOYSA-N 348.431 4.374 0 1 EIAF FC1(F)Oc2cc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3cc2O1 586885171 KMZHPBNTKWDGGX-XIKOKIGWSA-N 340.329 4.256 0 1 EIAF CC(=O)c1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 587027632 YBHHKSDKJZNVBX-UHFFFAOYSA-N 337.404 4.381 0 1 EIAF O[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl 587058491 GURVXVUEUSMKEA-CYBMUJFWSA-N 342.704 4.197 0 1 EIAF Fc1c(F)c(-c2nc3ccc(Cl)nc3[nH]2)c(F)c(F)c1S 587134117 IETZGZXOIUNNPQ-UHFFFAOYSA-N 333.697 4.123 0 1 EIAF Cc1c(Cl)ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587173120 WKCFZEXCBOCTQV-GOSISDBHSA-N 344.773 4.292 0 1 EIAF c1ccc(CN2C[C@@H]3CCc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 587211838 IQXSYOCMFQWNGZ-RXVVDRJESA-N 340.470 4.495 0 1 EIAF NC1CCC(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 587256901 UMSUOVSPODHRGV-UHFFFAOYSA-N 333.741 4.100 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccn3)s1)O2 587409616 ITOVPVLKMROPGX-INIZCTEOSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(F)c1Cl)[C@@H](C2)C3=O 587424860 WMERKRVMFKWVHO-XYZCENFISA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(C)c1)CC2=O 587490813 RTDWCENYBBYUIR-HXUWFJFHSA-N 326.392 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sccc1OC)CC2=O 587493918 JEPGTJZMTRPITC-GOSISDBHSA-N 332.421 4.295 0 1 EIAF CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653716010 OHXZQRWUUVCCHR-UHFFFAOYSA-N 349.411 4.112 0 1 EIAF Cc1ccnc([C@]2(c3ccc(C)cc3C)NCCc3c(C)ccnc32)c1 963073390 PVFIIOOSQZCBKL-QHCPKHFHSA-N 343.474 4.148 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C)n(C2CC2)c1C 963639472 VHMOKGJVERBHMH-QKVFXAPYSA-N 340.467 4.081 0 1 EIAF C[C@H](Oc1cc(-c2ccnc(O)c2)cnc1N)c1ccc(Cl)cc1 1857609803 GQOQAPXPYVXLIL-NSHDSACASA-N 341.798 4.225 0 1 EIAF Cc1cc(Br)c([C@]2(C)CC[C@@H]3C[C@]32C)cc1CC(=O)O 2356433943 ZRKOMWKJSAHJFB-OAUYIBNBSA-N 337.257 4.462 0 1 EIAF Cc1nc(N)c2c(Cc3cccc4ccccc34)nn(C(C)(C)C)c2n1 12480580 BNBCXCRNPDIKRO-UHFFFAOYSA-N 345.450 4.216 0 3 EIAF CC(C)c1[nH]nc2c1[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C2=O 199731747 KCXBMCHIMKBSIU-FQEVSTJZSA-N 349.409 4.418 0 3 EIAF O=C1Nc2ccc(Cl)cc2[C@@](OCCC2CC2)(C(F)(F)F)O1 6567443 YZQYQIZPZCPWTE-ZDUSSCGKSA-N 335.709 4.434 0 1 EIAF C[C@H]1[C@@H]2O[C@@H](c3ccoc3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C 13454962 RDTNPZGDEQSWNY-XWYBCMHGSA-N 328.408 4.034 0 1 EIAF O=C(Nc1cccc(O)c1C(=O)O)c1cccc(Oc2ccccc2)c1 13611233 QXBHJJXXAXXUEZ-UHFFFAOYSA-N 349.342 4.135 0 1 EIAF in-vivo Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccccc2)N3C)cc1 26509080 HIQHQNWJRSNELD-HZEGPAAWSA-N 335.447 4.167 0 1 EIAF CC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(C)[nH]c2ccccc12 29062847 GBXXWMMTQRBUGR-UHFFFAOYSA-N 347.370 4.099 0 1 EIAF C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCCO1 34801173 OHOUPBLLXCZHSW-COYTVDRQSA-N 331.500 4.057 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CC[C@H](O)[C@@H]2[C@@]1(C)CCc1ccoc1 40880321 FMOMDZQOXKGTDA-MWEXJPOMSA-N 332.440 4.047 0 1 EIAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3cccs3)ncnc21 82178910 BSRMMHDYTVPJDP-GFCCVEGCSA-N 341.484 4.423 0 1 EIAF COc1cc(CCc2ccc(CCCCCCCN)o2)ccc1O 85624486 IQLWORMURZRWLG-UHFFFAOYSA-N 331.456 4.231 0 1 EIAF biogenic,in-vitro Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(C(C)(C)C)c1 96272381 KVSJQCPJNCQNHH-UHFFFAOYSA-N 344.484 4.439 0 1 EIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CC=CC2)OC1=O 146114584 JWBPAUHMRIEGNU-LBPRGKRZSA-N 336.229 4.441 0 1 EIAF CSc1nn(-c2ccccc2)c2cc([C@@H](O)c3ccncc3)ccc12 166537620 UZUHZDRMCQQDMH-IBGZPJMESA-N 347.443 4.224 0 1 EIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC/C(C)=C/CC1 169360961 YFOLGCJWYIGIKF-WLDNXSNLSA-N 331.500 4.343 0 1 EIAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 195174203 MWAUZLNCUAEKNR-XABYNWHXSA-N 340.897 4.313 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 254076552 IURJXDRUVNGNGB-LPFVZPDWSA-N 332.484 4.101 0 1 EIAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2CCCC(=O)[C@@H]21 261139861 MWAUZLNCUAEKNR-RUAUBTSSSA-N 340.897 4.313 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(F)c2[nH]1 586915879 IXPBCAZBHIAWSD-JLTOFOAXSA-N 338.382 4.227 0 1 EIAF CC(C)(C)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924152 JJLHZGMEDJIHJD-QXMHVHEDSA-N 340.448 4.305 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cnc2[nH]1 587067113 OBGWNWQJJGHKMX-UHFFFAOYSA-N 337.608 4.083 0 1 EIAF Nc1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(C(F)(F)F)c1 587095327 DHMNZAGNOFRNKG-UHFFFAOYSA-N 328.297 4.379 0 1 EIAF Nc1c(F)c(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F 587136763 MHMPQUGEYBEFMD-UHFFFAOYSA-N 347.218 4.128 0 1 EIAF COc1ccc2c(c1Cl)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587378434 CCTGFKIIBGWQAU-LJQANCHMSA-N 343.810 4.046 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)C 587400784 OFVJDHKAKWLMPN-SFHVURJKSA-N 341.407 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ncccc13)CC2=O 587484935 OTDOLVKZJPPZKX-KRWDZBQOSA-N 336.391 4.236 0 1 EIAF CCOC(=O)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527083 WBFVKCXWBWZZCW-QVKFZJNVSA-N 342.435 4.023 0 1 EIAF O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587632147 PZLGCNHHQUQHOU-UHFFFAOYSA-N 342.757 4.281 0 1 EIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C(F)(F)F)c2c1 587650369 TXEPQRAZIHIHKN-UHFFFAOYSA-N 339.338 4.257 0 1 EIAF CC(C)(C)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658639 QNNIYUDEQOMTAN-UHFFFAOYSA-N 338.382 4.279 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCSCC2)N1 587853574 AIPMXOJOJXJZQK-RFAUZJTJSA-N 344.293 4.307 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3cc(F)cc(F)c3[nH]2)cc1OC 587925178 CCHHDJXZMISKNA-SNVBAGLBSA-N 332.350 4.205 0 1 EIAF Cc1cc2c(cc1F)[C@@]1(C=CC=C3C1=Nc1ccccc1N3C)NCC2 962143841 JQIIAXYSIAFKCQ-JOCHJYFZSA-N 345.421 4.151 0 1 EIAF COC(=O)C[C@]1(CC(C)C)NCCc2cccc(-c3ccccc3)c21 962661143 DSPXSCZSBSQOSP-QFIPXVFZSA-N 337.463 4.304 0 1 EIAF Cc1nc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc2o1 1857611475 HPLDPDIBAPODLT-UHFFFAOYSA-N 344.418 4.011 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C(C)=O)C1 2356313305 VZGVYUAWGQJKPO-NWDASVTGSA-N 346.511 4.284 0 1 EIAF C=C(OC)C1=CO[C@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12 2356456742 OZWKLHPDZNRGGY-JLSDUUJJSA-N 346.430 4.392 0 1 EIAF CC(C)=CCC[C@@H]1C(=O)O[C@@H]2OC(=O)C3=CCC=C(C)CC[C@H]1[C@@H]32 2356637970 MPYOEPDDVGSUJR-TXDAXLQXSA-N 330.424 4.078 0 1 EIAF COc1ccc(OC)c(NC(=O)Nc2ccc(O)c3ccccc23)c1 15952477 HYVZFZNMOJVHFH-UHFFFAOYSA-N 338.363 4.207 0 3 EIAF O=C(OCC(Cl)(Cl)Cl)N1CC[C@@H](C2CCCCC2)C1 1859829 GZKGPCKVFMKVNB-LLVKDONJSA-N 328.667 4.395 0 1 EIAF COc1cccc(-c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)c1 5503292 CRDNHGGEVYYBPA-UHFFFAOYSA-N 334.419 4.194 0 1 EIAF CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1 13672125 OACDZTWEJRHLMO-UHFFFAOYSA-N 335.411 4.120 0 1 EIAF in-vivo CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C)cc1)C2=O 13779812 SLTXJGKGZINTRG-UHFFFAOYSA-N 349.409 4.085 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@H]12 14439717 YQGOQPXRMYAFGM-WMQCIHAUSA-N 342.435 4.223 0 1 EIAF CC[C@@H](C(=O)Nc1ccc(CCCC(=O)O)cc1)c1ccccc1 26575790 JYJJZEZHHUDUQH-GOSISDBHSA-N 325.408 4.226 0 1 EIAF c1cc(CN2CCCCC2)cc(OCCCNc2nccs2)c1 27547923 KHOCPPWRDKJTNB-UHFFFAOYSA-N 331.485 4.010 0 1 EIAF CNCCC[C@@H]1Cc2ccccc2N(c2ccc(Cl)cc2)C1=O 28528508 JZXQQBOUEFCSBP-OAHLLOKOSA-N 328.843 4.177 0 1 EIAF COc1cc2c(cc1OC)[C@H](CC(=O)Nc1ccc(Cl)cc1)CC2 28826635 ONQIFMMBBXPCOG-ZDUSSCGKSA-N 345.826 4.416 0 1 EIAF CCOc1cc2c(cc1O)CCC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 33997147 YKWFKECYXRUOES-APLWCEOHSA-N 330.468 4.398 0 1 EIAF Cc1c(Sc2ccc(Cl)cc2)c2ncccc2n1CC(=O)O 35839788 RPTJDWOOXCUQHW-UHFFFAOYSA-N 332.812 4.234 0 1 EIAF Cc1ccc([C@@H]([C@H](CO)OCc2ccccc2)N(C)CC(C)C)cc1 40956712 WEBIQWHYKUCUMF-VXKWHMMOSA-N 341.495 4.202 0 1 EIAF FC(F)(F)c1cccc(-c2nnc3ccc(-c4cccnc4)cn23)c1 82082497 UDHZRJWHIFODDI-UHFFFAOYSA-N 340.308 4.477 0 1 EIAF CC(=O)OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 100808770 AUASRRWSKHUBGZ-DRUSMZSOSA-N 347.458 4.269 0 1 EIAF C[C@@H](O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165006648 OVSLYFNHAIXXEF-SNVBAGLBSA-N 337.400 4.169 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372168 ZDXVLUHOOVYRHN-PONHGGOPSA-N 342.479 4.410 0 1 EIAF CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(C(C)(C)C)c1O 169725009 IHIJZPQALWVJER-UHFFFAOYSA-N 335.469 4.033 0 1 EIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C=C[C@H]12)[C@](C)(O)C3 238738619 YAEBBOYLVMTKML-FFFWSKEGSA-N 346.511 4.489 0 1 EIAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]2CC[C@H]3C[C@]21C=C3C 257501579 OFNWUWHDGCNABD-ZDQRBUBASA-N 346.511 4.489 0 1 EIAF endogenous,in-man Clc1ccc(/N=C/c2ccc3cc2OCC#CC=CC#CCO3)cc1 299806169 OBXUMOSFCLLQQL-GEHQJTHUSA-N 347.801 4.425 0 1 EIAF N[C@H](c1ccsc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587025292 KNMCSBJMYREKGR-QGZVFWFLSA-N 335.432 4.252 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)cnc2[nH]1 587026354 CKZFZGXJQNEUFZ-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF Clc1ccc(-c2nc3ncc(Br)cc3[nH]2)nc1Cl 587083937 DJQWOJIIBSFGOD-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426879 BXJVHOLGLLUMQY-UTKZUKDTSA-N 337.419 4.030 0 1 EIAF COC(=O)[C@@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525644 QZFJRFSDYSMLSG-LAUBAEHRSA-N 342.435 4.023 0 1 EIAF CCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576308 ILVVXJAYKMEDTL-GHTZIAJQSA-N 349.386 4.307 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587610753 RJVZDCKBUODVHD-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF CC(=O)c1cccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 1857585686 WLDYSQLKBHPRQE-UHFFFAOYSA-N 345.377 4.329 0 1 EIAF Cc1noc(C)c1-c1cc(O)cc([C@H](O)c2ccc(Cl)cc2)c1 1857751726 JULXCZRWWNHUAF-GOSISDBHSA-N 329.783 4.399 0 1 EIAF Cc1cc2cc(C)c(NCCNC(=O)c3cccs3)nc2cc1C 4848609 MBMNYLVUCQXHEM-UHFFFAOYSA-N 339.464 4.063 0 3 EIAF Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)cc1C 61907933 MVDAIWITJNYGLG-OAQYLSRUSA-N 342.483 4.203 0 3 EIAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1CO 13586811 OUSWYYCWDJPHEW-UHFFFAOYSA-N 344.720 4.495 0 1 EIAF Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc21 13648490 HXXOYJATCRBRHE-UHFFFAOYSA-N 336.443 4.242 0 1 EIAF COc1cc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)ccc1O 14488304 JPDORDSJPIKURD-HKKFXGGESA-N 342.391 4.214 0 1 EIAF endogenous,in-man COc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NCC2 49049277 STEAFPVOWXZUDA-UHFFFAOYSA-N 336.218 4.404 0 1 EIAF Cc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1 66111623 NVYLTWJDGUXFDW-UHFFFAOYSA-N 332.359 4.139 0 1 EIAF CN(C)CCCn1ccc2cc(NC(=N)c3cccs3)ccc21 72142825 VUJRFVYKJBJJOB-UHFFFAOYSA-N 326.469 4.092 0 1 EIAF c1ccc2c(CCO[C@H]3CCCC[C@@H]3N3CCOCC3)csc2c1 114824513 XMETTZAVKMMHKX-OALUTQOASA-N 345.508 4.104 0 1 EIAF O=C(c1cc2ccccc2[nH]1)c1ncc(-c2c[nH]c3ccccc23)[nH]1 238759390 RGPRDQPYHXQAJR-UHFFFAOYSA-N 326.359 4.270 0 1 EIAF CC(C)CCCC[C@@H]1C[C@H](/C=C/[C@]2(C)CC[C@@H](O)CC2)[C@@H](O)[C@H]1O 253633221 FMIPVOXDRVXYDX-QZOSFSPXSA-N 338.532 4.058 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883423 JLRMACLMAOUIKX-OSAWLIQMSA-N 338.451 4.136 0 1 EIAF Cc1nc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1Br 586884515 QJGZRXDQMSUVTD-KVFJLYFUSA-N 346.272 4.497 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108870 BOSAKCQVJYUXAH-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF CC(C)Oc1cccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c1 587211654 IMCKOULNFBNLDR-UHFFFAOYSA-N 347.414 4.415 0 1 EIAF COc1cc(C)c(N)c(-c2nc3cc(Br)cc(C)c3[nH]2)c1 587249629 GUHSZJJMJAIFRG-UHFFFAOYSA-N 346.228 4.200 0 1 EIAF CCC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351517 KBNABAIFZQVWQK-IZOWMSFQSA-N 326.367 4.449 0 1 EIAF CCCCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587379868 YIPDTUDXIWZTTF-HNNXBMFYSA-N 347.846 4.242 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccn3)cc1)O2 587393564 IWCGONOWTSBXDI-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C(C)C)c1C)CC2=O 587477018 SRETVOGETFMBQM-FQEVSTJZSA-N 342.439 4.311 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2CC[C@@]1(C)C2(C)C 587477469 CIJKNGPYQGDDKI-PUCZYUMASA-N 342.435 4.074 0 1 EIAF O=C1C[C@]2(CCCc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587529420 BZAKPRGXLJJLDB-QFIPXVFZSA-N 334.415 4.468 0 1 EIAF Clc1cnc(Cl)c2[nH]c(COC/C=C/c3ccccc3)nc12 587780574 DJEIJKOYSYLHGV-QPJJXVBHSA-N 334.206 4.495 0 1 EIAF COc1ccc(Cc2c(SC)c3cnccn3c2SC)cc1 653847549 UPXVOHWGMJVIGL-UHFFFAOYSA-N 330.478 4.378 0 1 EIAF O=C(O)c1nccc(-c2ccc(OC3CCCCC3)c(Cl)c2)n1 1772631572 GDFAVZBLXOOONS-UHFFFAOYSA-N 332.787 4.207 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC1CCCC1)C(=O)N2 1857635447 WNEGPJMSZPXGGH-QGZVFWFLSA-N 326.396 4.238 0 1 EIAF c1ccc(OCc2nnc(-c3cc4c(cn3)[nH]c3ccccc34)o2)cc1 1857641063 KLNQNTGQALKUBI-UHFFFAOYSA-N 342.358 4.345 0 1 EIAF c1ccc(C[C@H]2CNCCN2CCC23CC4CC(CC(C4)C2)C3)cc1 22929246 HWAVRYVDKATCPW-FKYPEVOHSA-N 338.539 4.109 0 3 EIAF Cc1ccccc1CN1C(=O)COCc2ccc(-c3cccnc3)cc21 74374975 JWXVAOOUHPSITK-UHFFFAOYSA-N 344.414 4.120 0 3 EIAF CCC1=CCCN(CCc2c([C@H](C)C(=O)OC)[nH]c3ccccc23)C1 14693891 DRHDOHYLFULXFT-HNNXBMFYSA-N 340.467 4.029 0 1 EIAF biogenic N=CC[C@H](O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 27521176 MOVYLDZUBGRMTA-SFHVURJKSA-N 338.451 4.486 0 1 EIAF CC(C)C[C@@H](c1cccc(O)c1)N1CCN(Cc2ccccc2)CC1 27549000 WOISGNJACAUTGW-QFIPXVFZSA-N 338.495 4.297 0 1 EIAF C1=C(SCCN2CCOCC2)c2ccccc2Oc2ccccc21 27556194 DTHOYCQSQLDHCD-UHFFFAOYSA-N 339.460 4.356 0 1 EIAF O=C1C(=O)N(Cc2cc3ccccc3s2)c2cccc(Cl)c21 28461722 VCHRPHJPXICPGC-UHFFFAOYSA-N 327.792 4.284 0 1 EIAF CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 36422847 OJXGRUAWXGFZAO-ZKHIMWLXSA-N 330.468 4.450 0 1 EIAF biogenic c1ccc(-c2ccccc2O[C@@H](C2=NCCN2)c2ccccc2)cc1 40957110 XXOSLSPHUHLICG-OAQYLSRUSA-N 328.415 4.475 0 1 EIAF CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12 63539717 UGFZSOOMZPRIIC-UHFFFAOYSA-N 346.452 4.094 0 1 EIAF CC[C@H](C)NC(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 84690175 GMLIIFZYKRJJHB-LBPRGKRZSA-N 339.826 4.479 0 1 EIAF CN(C)CCCN1c2cccnc2Sc2cnc3ccccc3c21 98082840 DTRJJUHICNSIKK-UHFFFAOYSA-N 336.464 4.184 0 1 EIAF CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 100640877 OPDBPJWZYLLHKS-FHYHECQRSA-N 344.451 4.141 0 1 EIAF Fc1c(Cl)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1F 587017437 WQOOAYULEJETMB-SECBINFHSA-N 341.770 4.470 0 1 EIAF COC(=O)[C@@H]1C=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587097295 LBFNCDOKZUFINB-OAHLLOKOSA-N 341.366 4.038 0 1 EIAF CSc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587155190 IMJZRZIZTOACGZ-GOSISDBHSA-N 341.411 4.215 0 1 EIAF Nc1cncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587254357 NFJYBZXDLXLITF-UHFFFAOYSA-N 343.415 4.484 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(C(F)(F)F)c1)O2 587381719 KHKXCRVDBSQMSS-OAHLLOKOSA-N 337.297 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1)O2 587401101 SLMOYUGSLRYYTB-HXUWFJFHSA-N 336.435 4.274 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(C)cc(C)cc31)O2 587414997 XKSHSAFCYHCJLG-OAQYLSRUSA-N 337.419 4.227 0 1 EIAF O=C1C[C@@H](c2cnn(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587517628 RHRMBIUTRAIZPH-NRFANRHFSA-N 344.414 4.458 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@H]2CC[C@H]1C2 587602459 HZEUXNUHZJTXFZ-HLBRHHCVSA-N 336.387 4.159 0 1 EIAF CCCC[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797421 WWQDCWOSNSYXLL-BDJLRTHQSA-N 344.268 4.154 0 1 EIAF CC(C)Oc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873951 QGYAFEFSISFHPL-UHFFFAOYSA-N 338.338 4.271 0 1 EIAF Cc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(N)c1 962723560 ZQAUYRLTUUIVFM-JLTOFOAXSA-N 342.483 4.169 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc3[nH]ncc23)N1 962952711 VONWMABBUQTQQS-YEJXKQKISA-N 330.435 4.232 0 1 EIAF CCC[C@]1(c2ccsc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963613119 UATYHNQXNQXFHL-ORAYPTAESA-N 331.481 4.343 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@]4(C)O 2356376056 NQZVMGVMAPPTFX-IAVDWNJYSA-N 334.500 4.323 0 1 EIAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccn2)C1 8636062 ZJEOYJRSACWHJX-RTBURBONSA-N 344.462 4.086 0 1 EIAF biogenic COc1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1 13489736 QEDGWRJJPHEGPB-UHFFFAOYSA-N 343.390 4.082 0 1 EIAF CCC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@](CC)(CC[C@@H]12)[C@H]43 14857243 ZVJUOTFDVKNXIK-RYFAJOAYSA-N 338.495 4.108 0 1 EIAF Cc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 22261949 CPLPGEYXSAXYJK-FQEVSTJZSA-N 341.414 4.391 0 1 EIAF COc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)Nc1nccs1)CC2 25206440 RLHDIXNQLDWPNY-JSGCOSHPSA-N 344.480 4.148 0 1 EIAF biogenic N=C(N)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1 26578869 UVJANBPFRCYQJB-UHFFFAOYSA-N 332.403 4.129 0 1 EIAF Cc1cccc(Nc2sc(-c3cccc(F)c3F)cc2C(N)=O)n1 43202080 TZVGQLGCOMURSY-UHFFFAOYSA-N 345.374 4.239 0 1 EIAF Nc1cc(F)ccc1Nc1ccc2c(c1)Cc1ccccc1C(=O)C2 49114536 QVYKWTYWIAENDW-UHFFFAOYSA-N 332.378 4.481 0 1 EIAF Clc1cccc(CO[C@@H](CCn2cncn2)c2cccs2)c1 71317133 GONYJAXTABXEDK-HNNXBMFYSA-N 333.844 4.341 0 1 EIAF Cc1ccccc1-c1nc(CNCCCN(C)c2ccccc2)co1 72103714 KUMNLYOEUASSGP-UHFFFAOYSA-N 335.451 4.266 0 1 EIAF COc1cc(OC)cc(Oc2cc(NC3CCCCC3)ncn2)c1 82067531 FHKUAYFTZHTERC-UHFFFAOYSA-N 329.400 4.031 0 1 EIAF Cc1cc(C)nc(-n2nc(-c3ccc(F)cc3)cc2C(F)(F)F)n1 103283762 PLXVKNZVFPLXHS-UHFFFAOYSA-N 336.292 4.104 0 1 EIAF COc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)[C@@]1(C)CCC(=O)C(C)C 169321846 GLTJXNUJXPYFIG-BHDDXSALSA-N 343.511 4.225 0 1 EIAF [O-][n+]1ccccc1SCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586970096 VLHOCIPFRCYSHY-UHFFFAOYSA-N 349.415 4.281 0 1 EIAF COCC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989474 KJLJEGLEMJLFHZ-GFCCVEGCSA-N 345.398 4.218 0 1 EIAF COc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1F 587021917 QNDQLLNFXHJXHN-UHFFFAOYSA-N 339.395 4.425 0 1 EIAF O[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058626 HNTKHILVQCVLEW-ZDUSSCGKSA-N 326.705 4.317 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2c(Cl)ncc(Cl)c2[nH]1 587061015 ZBMCTOAWFXJHPT-UHFFFAOYSA-N 341.585 4.170 0 1 EIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587151167 QWOXAMMTNMGHNF-ZCFIWIBFSA-N 327.693 4.169 0 1 EIAF c1ccc(CN2C[C@H]3Cc4nc5cccc6c5c(c4C[C@H]3C2)CC6)cc1 587212911 SHZFXBQMPWGZGL-RBUKOAKNSA-N 340.470 4.180 0 1 EIAF CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 587215036 ZEBYBRAWBBIYRP-SFHVURJKSA-N 343.426 4.379 0 1 EIAF O=C(/C=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccccc1 587243519 FQLCFHRVOYEBRD-SREVYHEPSA-N 349.287 4.373 0 1 EIAF CSc1ccccc1C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587409218 HFTRDRKKTXHDFE-LJQANCHMSA-N 327.449 4.266 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)sc1C=O)CC2=O 587470111 DJJJPNJVWPZQAT-AWEZNQCLSA-N 334.368 4.064 0 1 EIAF Cn1nc(C(C)(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515628 MSNDCSQNDFCVGA-SFHVURJKSA-N 338.451 4.303 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587785927 POYCZFNHHJRFNR-HZPDHXFCSA-N 343.386 4.055 0 1 EIAF CCC[C@H](C[C@@]1(C)N[C@@H](CC)Cc2c1[nH]c1ccccc21)C(=O)O 962944192 HEBWNDYKDUPNIV-LAPQFRIASA-N 328.456 4.198 0 1 EIAF Cc1cc(-c2sc(Cc3cccc(F)c3)nc2C)ccc1C(N)=O 1772616911 OYAZLIIROJSWCO-UHFFFAOYSA-N 340.423 4.256 0 1 EIAF CCCCCC=CC[C@@H](O)CCC=CC=C[C@H](O)CCCC(=O)O 2356521831 NKUPFHTVILUPKF-MOPGFXCFSA-N 338.488 4.382 0 1 EIAF CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CC1 2356713664 OJXGRUAWXGFZAO-MROOBOTFSA-N 330.468 4.450 0 1 EIAF S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1369653 PYRRMLCJNCDCHF-IRXDYDNUSA-N 349.931 4.174 0 1 EIAF Nc1sc2c(c1C(=O)c1cccc(Br)c1)CCCC2 13558663 BPUMIEMEDDXPOI-UHFFFAOYSA-N 336.254 4.203 0 1 EIAF COc1ccc2cc(Cc3ccccc3)cc(CCNC(C)=O)c2c1 13781759 NLPUGZFAQMFQAA-UHFFFAOYSA-N 333.431 4.118 0 1 EIAF O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccccc1 28898291 XGSWAPNRKGOSKD-UHFFFAOYSA-N 327.383 4.272 0 1 EIAF in-vivo CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1ccc(OC)cc1 103080089 VTUUPGVAMKWCIK-HXUWFJFHSA-N 349.430 4.255 0 1 EIAF CC(C)C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)CN1 103267044 YHOGAADWEVGJIK-XSDIEEQYSA-N 342.527 4.051 0 1 EIAF CCC[C@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl 103272416 VXOGEOLUFFLKJI-GFCCVEGCSA-N 340.703 4.424 0 1 EIAF CC(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccccc2c1 169313899 AUASRRWSKHUBGZ-BFYRZECHSA-N 347.458 4.269 0 1 EIAF C[C@@H](N1CCc2cc(COc3ccccc3)ncc2C1=O)C(C)(C)C 169326800 ZBNHAWFHFDFYPA-OAHLLOKOSA-N 338.451 4.094 0 1 EIAF CN(C)C[C@@H]1C[C@H]2CC[C@H]1N(c1ccnc3cc(Cl)ccc13)C2 253661093 YMCGWFAISRHARH-QWQRMKEZSA-N 329.875 4.055 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@]54C)[C@@H]2CC[C@H]13 299850419 SGXWBMFFSSZDCX-VLVYSEFBSA-N 330.468 4.140 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003579 MOKWQPHUQXQWHY-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc[nH]c(=N)c2[nH]1 587013145 XRQAWWMYVHXFDM-UHFFFAOYSA-N 341.827 4.123 0 1 EIAF Fc1c(F)c(F)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1F 587016086 GFFFGTFWUQIXPW-LURJTMIESA-N 343.305 4.094 0 1 EIAF Brc1cnc2[nH]c(CSCc3ccsc3)nc2c1 587027198 QMSLXUIRKJVABR-UHFFFAOYSA-N 340.271 4.215 0 1 EIAF CCc1cc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Cl 587052523 DLGCYQUZLKPIAD-QGZVFWFLSA-N 344.802 4.081 0 1 EIAF CN1CCC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587103862 BVRVPFBLJMAMSD-AWEZNQCLSA-N 328.415 4.255 0 1 EIAF O=C1c2ccc(O)cc2OC2(CC(F)(F)C2)[C@H]1c1ccc(F)cc1 587332701 MFJIRQGSHKXNCD-HNNXBMFYSA-N 334.293 4.058 0 1 EIAF C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340140 SFRSYHJIKLMEQP-FPOVZHCZSA-N 349.361 4.201 0 1 EIAF CC[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401116 QCCXUOVZRVTJEU-YJYMSZOUSA-N 325.408 4.461 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2-c2ccccc21 587408965 RVKHAWQVWIKKQG-UHFFFAOYSA-N 327.383 4.467 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccccc1Cl)[C@@H](C2)C3=O 587418352 GVXAUDJROMJZDP-LIRRHRJNSA-N 328.795 4.097 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cn1)CC2=O 587462877 RDQACYJUEJUDMQ-GOSISDBHSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)c1ccc(OC)cc1)CC2=O 587476186 FDETYURWZZTZOI-RBZFPXEDSA-N 340.419 4.491 0 1 EIAF O=C1C[C@]2(CCCC[C@@H]2[C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587536785 WMOUQZHDKKWYIY-NBCNXNJRSA-N 340.463 4.496 0 1 EIAF COC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2n1 587959245 OGBPLXWNBQNRJY-UHFFFAOYSA-N 343.386 4.002 0 1 EIAF CCCCC[C@]1(c2cn(C)nc2C)NCCc2cc(C)c(F)cc21 962087210 DADDGUHDYIHQED-FQEVSTJZSA-N 329.463 4.146 0 1 EIAF CCC(CC)C[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962713211 TYVNJQJRIYQVPI-HUUCEWRRSA-N 347.352 4.311 0 1 EIAF Oc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1 1857584986 DHYKXQJRTXSIML-UHFFFAOYSA-N 341.414 4.498 0 1 EIAF Cc1ccccc1-c1nnc(-c2cc(Br)ccc2O)o1 1857621223 LTGDNZFRJGRHSQ-UHFFFAOYSA-N 331.169 4.180 0 1 EIAF C[C@@H]1C(=O)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356392749 NROZBIHZZUIGDJ-RZOBYWFHSA-N 344.495 4.098 0 1 EIAF O=C(C=CC=CCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1 2356496465 KAYVDASZRFLFRZ-UHFFFAOYSA-N 339.435 4.334 0 1 EIAF N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccccn2)n1 61905079 SCIJVQXDBMSSKK-CYBMUJFWSA-N 330.844 4.178 0 3 EIAF Oc1ccc(Br)cc1-c1nc(Cl)c2ccccc2n1 191847 ZHFPZUZQFCKPAR-UHFFFAOYSA-N 335.588 4.418 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O 14774368 RBOFUIKHKQRVJQ-QYWGDWMGSA-N 346.467 4.165 0 1 EIAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 15116874 WPAIYQYGYZEDNV-OFQRWUPVSA-N 332.440 4.426 0 1 EIAF biogenic Cn1cnc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)nc21 29334681 ATVQTGSNSPKSCA-UHFFFAOYSA-N 329.359 4.001 0 1 EIAF CC(C)[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 38694666 KCSVKOJCUGKGDT-INIZCTEOSA-N 342.222 4.373 0 1 EIAF CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)N=C2C)cc1 103188210 VBVYNZWZALKLSZ-WOJGMQOQSA-N 338.794 4.349 0 1 EIAF C[C@H]1[C@H](c2ccccc2)NC(=N)N2[C@@H](CCc3ccccc3)CC[C@H]12 103262054 AZAKMDHACKUFCY-UMSONDCASA-N 333.479 4.368 0 1 EIAF CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccc(F)cc1 103282117 WQOTWVCIJFPFHY-ZRNYENFQSA-N 328.383 4.160 0 1 EIAF CC[C@@]1(C(=O)NCCc2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl 103295418 DXJLAQORBQZBCH-YGRLFVJLSA-N 334.674 4.219 0 1 EIAF CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1c(C)cccc1C 103901238 ZYLRATQCOZADBF-OAHLLOKOSA-N 340.452 4.036 0 1 EIAF COC(=O)c1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cc1OC 586881116 QGWFQVOXNONLNJ-UHFFFAOYSA-N 336.391 4.293 0 1 EIAF Fc1c(F)c(F)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1F 586883701 DAMFSJIKJVKPDQ-XTZNXHDOSA-N 332.300 4.491 0 1 EIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 586908657 SUVIMZAJWJTQDI-MRVPVSSYSA-N 335.190 4.451 0 1 EIAF Cc1ccc(-c2nc(-c3nc4ccc(CO)cc4[nH]3)c(C)s2)cc1 587013482 XUBVVPWNMNPHHS-UHFFFAOYSA-N 335.432 4.463 0 1 EIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccnc4[nH]3)c2)cc1 587067853 RPWPULUWXKPYQL-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 587075135 CKGJTFOKPNCDRG-UHFFFAOYSA-N 348.797 4.254 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@H](C)C(=O)CC4)-c1ccccc1C2=O 587101947 XRIGEFUFAYCENH-GFCCVEGCSA-N 327.383 4.373 0 1 EIAF FC(F)COc1cccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)n1 587123513 KEQVWBRKBWKLFR-UHFFFAOYSA-N 343.255 4.288 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CSC(F)F)o1)O2 587383915 XMNLHXHGRMVGCF-CQSZACIVSA-N 339.363 4.333 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O 587425295 BKFDWHVYROUOAY-SCLBCKFNSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)ccc1O)CC2=O 587482463 TYDJINJNYPMBHJ-IBGZPJMESA-N 342.391 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@]2(C)O[C@H]21 587484622 HABKCTWPWKILHH-YZGWKJHDSA-N 330.424 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)C12CCC2 587489133 MQKMDLQOTRCDFQ-YLJYHZDGSA-N 330.424 4.028 0 1 EIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N 587508940 GVSWZNQZDAXEIN-OAQYLSRUSA-N 337.419 4.037 0 1 EIAF CC(=O)Nc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511414 KHXZWKJZBFHZFG-JOCHJYFZSA-N 349.430 4.404 0 1 EIAF Cn1ncc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 587517335 LCHZXNVAWQQIQW-LJQANCHMSA-N 332.403 4.159 0 1 EIAF Cc1cc(C(=O)O)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529883 REKRAQFNJHBDMM-IBGZPJMESA-N 336.387 4.279 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cncnc1 587860627 ZXMOSAJURBAUHG-UHFFFAOYSA-N 349.221 4.094 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 587955842 QUBFNJVJVRUCLQ-UHFFFAOYSA-N 345.624 4.022 0 1 EIAF FC(F)(F)Oc1cc2nc(CC3CC3)[nH]c2cc1Br 587958900 GTTSPGZGWFZWCA-UHFFFAOYSA-N 335.123 4.177 0 1 EIAF Cc1ccccc1-c1cn2c(-c3ccc4c(c3)OCO4)cnc2cn1 653662921 COVUAAQQGUFJRN-UHFFFAOYSA-N 329.359 4.100 0 1 EIAF O=c1nc(-c2ccc(OCc3ccccc3)cc2)[nH]c2ccsc12 1772572233 SHSPQGGOFCUDLR-UHFFFAOYSA-N 334.400 4.231 0 1 EIAF CC(C)c1c(O)ccc2c1C(=O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356527090 WDDXJPVDQFRGNC-RYGJVYDSSA-N 330.424 4.251 0 1 EIAF CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O 13735576 TVXMUKJNBYIOBU-UHFFFAOYSA-N 343.386 4.400 0 1 EIAF CCO[C@@H](/C=C/c1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 14504366 IADMDBFYOJAYAV-SJSVYFIFSA-N 326.436 4.194 0 1 EIAF biogenic,in-vitro CCN(CC)C[C@@H](C)Nc1ccnc2cc(Br)ccc12 27552199 UUFHWDXXMIFWRG-GFCCVEGCSA-N 336.277 4.140 0 1 EIAF COc1cc(OC)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(OC)c1 66080482 QOERSILUVNMDPG-PIKGMIDQSA-N 344.407 4.259 0 1 EIAF COc1cccc(CCNc2cc(-c3cccc(C(C)=O)c3)ncn2)c1 82162185 IMNZDXGDRSMXGD-UHFFFAOYSA-N 347.418 4.009 0 1 EIAF Cc1c(CC(=O)O)c(-c2ccccc2)nn1-c1ccnc2ccccc12 96270517 ABPGVHAQYOKGMS-UHFFFAOYSA-N 343.386 4.023 0 1 EIAF CCN(CC)CCCOC(=O)C(C)(c1ccccc1)c1ccccc1 103290711 HLRFEMCLJCPZKS-UHFFFAOYSA-N 339.479 4.268 0 1 EIAF Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccncc2)cc1 143935012 YWVMLFOPEPZYHX-UHFFFAOYSA-N 338.432 4.064 0 1 EIAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1 146232559 ZQNBHYDBPAABPJ-UHFFFAOYSA-N 341.794 4.423 0 1 EIAF CO[C@H]1C[C@@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1N2C 169294086 ODOVOZRQRRUTGF-TUFLPTIASA-N 337.463 4.043 0 1 EIAF C[C@]12CC[C@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2 238732036 SUHBSVHVWQDUEA-ZJXIFLPPSA-N 328.408 4.179 0 1 EIAF NCCOc1ccc(/C(=C/c2ccccc2)c2ccc(O)cc2)cc1 299866501 VYRYZZVHMBHTRR-CJLVFECKSA-N 331.415 4.319 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Cl)cc2[nH]1 586915554 FVHNPGSGXCMSRR-LIRRHRJNSA-N 340.810 4.433 0 1 EIAF CCc1cc(OCc2nc3ccc(C(=O)O)cc3[nH]2)ccc1Cl 587052515 DDCGNJRFUCIAOC-UHFFFAOYSA-N 330.771 4.056 0 1 EIAF N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl 587058611 XYFOTZYCVOQBBH-JTQLQIEISA-N 341.629 4.161 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C1=C(C4)OCOC1)-c1ccccc1C2=O 587103272 VOCDEAIYERIVOY-UHFFFAOYSA-N 341.366 4.026 0 1 EIAF Fc1cc(CCc2nc3ccc4ncccc4c3[nH]2)cc(F)c1F 587138299 GGHAPRFEZXACNU-UHFFFAOYSA-N 327.309 4.314 0 1 EIAF Cc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165786 DWELKECXOXRYML-UHFFFAOYSA-N 349.365 4.381 0 1 EIAF Fc1cccc2c(-c3nc4cc(Br)ccc4[nH]3)n[nH]c12 587176819 UAIORNRKGXSLND-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(Cl)cc1O)O2 587375795 PFBYGKGSSAFYIG-HNNXBMFYSA-N 338.190 4.296 0 1 EIAF O=C1C[C@@H](c2n[nH]c3ccc(F)cc23)Oc2c1ccc1c2CCCC1 587502329 BZSLAZVDGZHCRY-SFHVURJKSA-N 336.366 4.287 0 1 EIAF C[C@@H]1CCCN(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515574 VFEMENZETAEUOC-VFNWGFHPSA-N 327.468 4.021 0 1 EIAF COC(=O)[C@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525649 QZFJRFSDYSMLSG-UTKZUKDTSA-N 342.435 4.023 0 1 EIAF O=C1C[C@@](c2ccccc2)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587535428 JWZHHWZAQOUDDI-FDDCHVKYSA-N 348.442 4.463 0 1 EIAF CCN1CCC([C@]2(C)c3ccsc3CCN2Cc2ccco2)CC1 962714160 YZQFDTXPWIVNPO-HXUWFJFHSA-N 344.524 4.347 0 1 EIAF CCOC(=O)C[C@@]1(CC(C)(C)C)c2c(F)cccc2C[C@H]2CCCN21 963106197 QYILSJUPRMKWCI-IIBYNOLFSA-N 347.474 4.431 0 1 EIAF COc1ccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963108695 XXWFQIQQEPJOKR-GHTZIAJQSA-N 325.427 4.427 0 1 EIAF C[C@@H](N=c1nc[nH]c2oc(-c3ccc(O)cc3)cc12)c1ccccc1 1772603181 DKQBBPXFUULUPT-CYBMUJFWSA-N 331.375 4.190 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](C)(O)C3 2356599079 MQXZRJIHBYXBLW-LKUPXQQGSA-N 334.500 4.466 0 1 EIAF COc1cc([C@H](O)c2nc(-c3ccccc3OC)cs2)ccc1F 61908995 NWCIGIQQVNOUSA-KRWDZBQOSA-N 345.395 4.048 0 3 EIAF CC[C@H](OC(C)=O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1 5921965 FYQILXMAOLDNOY-UZLBHIALSA-N 325.452 4.052 0 1 EIAF world COc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1 14974772 PQRYISMMBVHKKJ-UHFFFAOYSA-N 334.400 4.327 0 1 EIAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@@H](C)N[C@H](C)C2)sn1 28250909 KXKZCELYSNODQC-JXXFODFXSA-N 343.540 4.347 0 1 EIAF O=C(O)/C(=C/c1ccc(-c2ccccc2)s1)NC(=O)c1ccccc1 28522860 KJOXYZTUBCHENZ-LGMDPLHJSA-N 349.411 4.271 0 1 EIAF Cc1c2n(c3ccccc13)CCN[C@@H]2c1ccc(Br)cc1 28566706 CKABFUPLAGCURL-QGZVFWFLSA-N 341.252 4.405 0 1 EIAF CCC[C@@H](CC1(C(=O)Nc2ncccc2CC)CCCC1)C(=O)O 34803345 ACCFCBCLGRJMCS-HNNXBMFYSA-N 332.444 4.034 0 1 EIAF Cc1ccc(C(=O)CCc2nnc(COc3ccccc3)o2)c(C)c1 43065833 OSSSGDLUCVQEBA-UHFFFAOYSA-N 336.391 4.081 0 1 EIAF O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)[C@H]1c1ccc(O)cc1 43196200 LGIBDQRYOFBMTC-GOSISDBHSA-N 341.370 4.020 0 1 EIAF in-vivo O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 72114971 QTBKOGLJPINUKJ-HXUWFJFHSA-N 329.399 4.431 0 1 EIAF O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)[C@H](O)/C=C/c1ccccc1 95581814 DPHCCWAANKZCTG-AOKBZRRJSA-N 346.417 4.482 0 1 EIAF CC(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 169313902 AUASRRWSKHUBGZ-OSZQUVBOSA-N 347.458 4.269 0 1 EIAF COc1cc2oc(-c3cc(O)cc(O)c3)cc2cc1CCC(C)(C)O 238730927 VYAUAPDLFZUPJK-UHFFFAOYSA-N 342.391 4.223 0 1 EIAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1(C)C 253810792 XUGAKTCCCDRKAF-SFTDATJTSA-N 338.470 4.428 0 1 EIAF O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1 299829950 NBTSWIPQBYCDPZ-UHFFFAOYSA-N 348.490 4.194 0 1 EIAF C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@@H]3[C@H]1CC2 473091506 QRKOOIOBAOCJEG-GPJBEXFUSA-N 342.501 4.217 0 1 EIAF CC1(C)COc2c(-c3nc4cc(Br)ncc4[nH]3)cccc21 586910906 CNJXFOOUQSSWGR-UHFFFAOYSA-N 344.212 4.057 0 1 EIAF Cc1nc(C)c(Cc2nc3ccc(Br)c(C)c3[nH]2)s1 587012682 RNHDKFLCYZYFEY-UHFFFAOYSA-N 336.258 4.298 0 1 EIAF FC(F)(F)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036906 PGNGOGCOOMJEOH-GFCCVEGCSA-N 338.354 4.500 0 1 EIAF Cc1cc(Cl)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042316 RWCHRTCCNTUUPV-HZPDHXFCSA-N 343.883 4.471 0 1 EIAF COc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1C 587142903 QDWDZQORZPVZEH-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF Cc1cc(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587176934 WHDPYTAVPRQIDN-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF CSc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587234082 WNRMIPBJNCLYLX-QWHCGFSZSA-N 347.484 4.446 0 1 EIAF C[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343145 AGBLAMWVLBJWSV-ICSRJNTNSA-N 337.350 4.134 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3cccnc13)O2 587379885 LYZNUIDVGHRZAA-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF CC[C@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402590 ZNQRPQLXHUUQGL-DJJJIMSYSA-N 325.408 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccc(F)c1F)CC2=O 587467982 VNZCBYGDKXDPTB-MRXNPFEDSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Cl)cc1F)CC2=O 587468330 UDZKOANOQJDAOC-SFHVURJKSA-N 349.789 4.413 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC(C)C)C1(C)C 587481184 QAQAMOLPVBPNPR-FXAWDEMLSA-N 332.440 4.272 0 1 EIAF Cc1cccc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n12 587515089 KYDRTLJVAJTFNH-LJQANCHMSA-N 332.403 4.228 0 1 EIAF CC(C)(C)[C@@]1(Cn2cccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517336 LCUBLKBRALFTIR-NRFANRHFSA-N 338.451 4.212 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(F)(F)CC2 587558329 WLEASZBMUCIZDQ-OAHLLOKOSA-N 346.329 4.302 0 1 EIAF NC(=O)c1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955251 JMYBHBYILFOOTO-SFHVURJKSA-N 341.414 4.036 0 1 EIAF C=C1Nc2ccccc2C(=O)N1c1ccc(Br)cc1C 957572903 QEBOWMIVEBORND-UHFFFAOYSA-N 329.197 4.301 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccnc1C(=O)OCC 963226315 HRBRELVWZCWKBH-MGPUTAFESA-N 338.451 4.004 0 1 EIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](C2CCCCCCC2)N1 963228823 JIRQOIKWIFMRNP-VQTJNVASSA-N 338.451 4.235 0 1 EIAF CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O 1857566217 PLYOHNHGRVMVDF-UHFFFAOYSA-N 334.529 4.098 0 1 EIAF CO[C@]12CC(C)=CCC[C@]3(C)[C@H](CC1=C(C)C(=O)O2)[C@@]1(C)CC[C@H]3O1 2356555510 XSSYRWDNKNIHHM-VRRQFBSDSA-N 346.467 4.297 0 1 EIAF CCCc1c(SC)nc2nc(C(=O)c3ccccc3)cn2c1CC 28228209 AFQMQAWKIMDFFT-UHFFFAOYSA-N 339.464 4.197 0 1 EIAF COc1ccc(-c2cn(Cc3ccccc3)c3ccc(=O)[nH]c23)cc1 29327278 QAPBDYFXUYUUEI-UHFFFAOYSA-N 330.387 4.054 0 1 EIAF CN(C(=O)c1ccccc1)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 39214048 DJUAULFEHDSMRA-AWEZNQCLSA-N 340.373 4.076 0 1 EIAF COc1ccc2oc(/C=C3\OC(=O)c4c3cc(C)nc4S)cc2c1 40380709 FHUIYBXDCMLOJJ-NVNXTCNLSA-N 339.372 4.102 0 1 EIAF Cc1ccc(C2=NN(C)[C@H](c3ccc(C)cc3)[C@@H]2n2ccnc2)cc1 40836178 UJCKNTQRFZTYEV-NHCUHLMSSA-N 330.435 4.132 0 1 EIAF COc1ccc(Oc2c(C3CC3)cnn(-c3ccc(C)cc3)c2=O)cc1 66167329 BOSONUOCNBJILM-UHFFFAOYSA-N 348.402 4.219 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(F)cc1 82141161 SAKXLHFPANWILX-STQMWFEESA-N 344.434 4.021 0 1 EIAF C=CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(OC)cc2)OC1 82157856 IECTVXRIRJHNRI-FQEVSTJZSA-N 335.403 4.196 0 1 EIAF CCCN(CC)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CC[18F] 102899481 AMCHMCFQZZZVHL-QGZFDNQHSA-N 329.450 4.289 0 1 EIAF CCCCCCN1C(=O)C=C(Cl)[C@]1(O)c1ccc(Cl)cc1 224797359 CMQFCGJPWXRANA-MRXNPFEDSA-N 328.239 4.030 0 1 EIAF COc1ccc(/C=C/c2cc(Br)ccc2O)c(OC)c1 299835165 LWRLVHQWPKEVPP-ONEGZZNKSA-N 335.197 4.342 0 1 EIAF Nc1cncc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)c1 299871588 YTPIDIRNAIUGCY-UHFFFAOYSA-N 348.337 4.312 0 1 EIAF NC(=O)c1cccc(-c2ccc3c(c2)CCc2cc(Cl)ccc2N3)n1 473120495 DHGZFNINOOBXHZ-UHFFFAOYSA-N 349.821 4.343 0 1 EIAF COc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cn1 587066845 SOGYGISKRGQLFO-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CCC[C@H]4CO)-c1ccccc1C2=O 587102202 TVVYYXZOCUYMJO-ZDUSSCGKSA-N 329.399 4.167 0 1 EIAF Cc1c(Cl)ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587158286 WDRUSQNVOZWHQA-GOSISDBHSA-N 343.789 4.455 0 1 EIAF CCOC(=O)[C@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2 587211329 DUOXYRFIZFNPRG-GOSISDBHSA-N 331.415 4.223 0 1 EIAF CCc1nn(C)c(CC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516066 QNKJOWNOXKYSOK-LJQANCHMSA-N 338.451 4.130 0 1 EIAF O=C(c1cc2sccc2s1)n1ncc2ccc(Cl)cc2c1=O 587654214 PYTGTEVIGZDZGW-UHFFFAOYSA-N 346.820 4.015 0 1 EIAF COc1ccc(C2(c3nc4cncc(OC)c4[nH]3)CC3(CCC3)C2)cc1 587936595 VNFQNILQOUGDEM-UHFFFAOYSA-N 349.434 4.225 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2n[nH]c3ccc(C)cc23)N1 962963474 ZATACGXCGWYRGY-ZSEKCTLFSA-N 330.435 4.366 0 1 EIAF CC(C)C(C(C)C)[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977980 PYDMTUNYSRKUJJ-WBMJQRKESA-N 345.817 4.186 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cc(F)ccc1Cl 963634633 KZXOZDYDFZJNPP-WLRWDXFRSA-N 349.833 4.294 0 1 EIAF CCc1c(O)nc(SC2CCCC2)nc1C(=O)c1ccccc1 28635786 XSYHRFRJEGIUEL-UHFFFAOYSA-N 328.437 4.010 0 1 EIAF Clc1ccccc1CN1CCC[C@H](Nc2ccc3[nH]ncc3c2)C1 28642192 BVZFHBJXEPPCEX-KRWDZBQOSA-N 340.858 4.293 0 1 EIAF C=C=C(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954226 NHYUUHSCKIXBNM-GFCCVEGCSA-N 337.128 4.351 0 1 EIAF CCc1nn(CCO)c(CC)c1Sc1cc(Cl)cc(Cl)c1 38442590 KHIJLCJUPFRPOM-UHFFFAOYSA-N 345.295 4.458 0 1 EIAF COc1ccc2cc[n+](CCc3ccc(Cl)cc3)cc2c1OC 71295774 ZXEHBUPYBDEGNE-UHFFFAOYSA-N 328.819 4.041 0 1 EIAF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](F)c1ccnc2ccc(OC)cc12 144577954 AIGRCCSKIYGXPT-AFHBHXEDSA-N 328.431 4.374 0 1 EIAF COC(=O)/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2OCC(C)=C2C[C@H]1O 166249405 JLJVVACYDKDARP-GOXDJZHZSA-N 346.467 4.019 0 1 EIAF C[C@]12CCC(=O)N[C@H]1CC[C@H]1[C@@H]3CC[C@@]4(CCCO4)[C@]3(C)CC[C@H]12 169310450 OHOUPBLLXCZHSW-VVIZTZINSA-N 331.500 4.057 0 1 EIAF COc1ccc([C@@H]2c3c(ccc4c3OCO4)C[C@@H](C)[C@@H]2C)cc1OC 238770049 ZJRZMBOBSXVTJW-QHRIQVFBSA-N 340.419 4.393 0 1 EIAF O=N/C=C1/C=CN(C/C=C/CN2C=C/C(=C/N=O)C(F)=C2)C=C1F 377816948 CLTIDBHIBLBHQS-WERNFFOFSA-N 332.310 4.124 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586964259 WGLRGOMYBYWRRZ-VIFPVBQESA-N 338.358 4.318 0 1 EIAF COC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174353 HPOBGOOVTAQAKO-UHFFFAOYSA-N 343.745 4.290 0 1 EIAF Cc1nc2cccc3c2c(c1Cc1ccc(OC[C@@H]2CO2)cc1)CC3 587215649 LAMVUQMGYTUPHR-GOSISDBHSA-N 331.415 4.010 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 587250505 KMCJCVICCFLVCE-UHFFFAOYSA-N 329.359 4.208 0 1 EIAF CC[C@@H](C)n1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378171 MQHGIZQSMLICBC-BMIGLBTASA-N 347.846 4.413 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O 587423963 MEKNRZPXQFCOIP-BTDLBPIBSA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(-c3ccccc3)[nH]1)CC2=O 587483318 LXJZOEREGJYDAQ-IBGZPJMESA-N 348.402 4.441 0 1 EIAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)c(C)n1 587633527 FVIOSPZAYCOAMQ-UHFFFAOYSA-N 339.292 4.082 0 1 EIAF CCc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587774742 XGDLJQPJKJZSPQ-BTDLBPIBSA-N 349.247 4.169 0 1 EIAF CCSCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587841954 CRNNBGUPJNSCCQ-YMTOWFKASA-N 332.282 4.307 0 1 EIAF COc1ccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2n1 587932566 QEJSLIHURRMUFP-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc3[nH]ncc23)N1 962952708 VONWMABBUQTQQS-ASSNKEHSSA-N 330.435 4.232 0 1 EIAF CC(C)Cc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)s1 963022181 ICJPFKWMLUVREG-RNODOKPDSA-N 340.492 4.089 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCc2nc(Cl)ccc21 963096861 DXRDZKSLTKDWPN-LIRRHRJNSA-N 328.818 4.084 0 1 EIAF CCC(C)(C)[C@]1(c2cc(F)cc(F)c2)NCCc2ccc(O)cc21 963353758 SLUBJERQHJDYCC-HXUWFJFHSA-N 331.406 4.496 0 1 EIAF NC(=O)c1cc(-c2ccccc2)cc2c([C@@H]3CCCC(=O)C3)c[nH]c12 1857592280 JVABDXNVXAMIRS-CQSZACIVSA-N 332.403 4.161 0 1 EIAF CO[C@]1(C)C[C@@H](c2ccc(C)cc2)c2c(c3ccccc3oc2=O)O1 1857750131 RPOKSBKRVVZBBP-KKSFZXQISA-N 336.387 4.378 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@](C)(O)C[C@]12C 34380402 LZCICCXBBYHFCF-ZILCAJHGSA-N 346.511 4.164 0 3 EIAF O=C(c1ccccc1)c1cn(Cc2c[nH]cn2)cc1-c1ccccc1 26742210 MMYHHNSSBQWAPJ-UHFFFAOYSA-N 327.387 4.158 0 1 EIAF Fc1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1 73197675 AEUZPURMUGHSJT-UHFFFAOYSA-N 342.424 4.308 0 1 EIAF CC(C)(C)c1ccc(-c2cc(NCCc3ccccn3)ncn2)cc1 82160885 NQIJAGCXHZRDMN-UHFFFAOYSA-N 332.451 4.491 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 100897419 PWSUMDGDQAYHSM-NHCUHLMSSA-N 348.490 4.155 0 1 EIAF c1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1 117558173 MPTZTCJDULKFOI-UHFFFAOYSA-N 344.403 4.373 0 1 EIAF O=C(O)C1(Sc2ccnc3ccc(C(F)(F)F)cc23)CCC1 220384834 FOVSIEUPNDQKOC-UHFFFAOYSA-N 327.327 4.353 0 1 EIAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@@H]3C=C12 503984571 OCWMOVOEHOFLTA-QGAUHXJISA-N 345.527 4.423 0 1 EIAF biogenic O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 586906725 GYDXDJYINOZIHV-QMMMGPOBSA-N 335.190 4.451 0 1 EIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3ccccc3cc2[nH]1 587052258 MCCWXJQMNJJRHV-OAHLLOKOSA-N 337.810 4.318 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cccnc1)O2 587394134 CTWBTXMKULZCLQ-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1N)(C(C)C)CC2=O 587473522 WWFSEFDSZWPWGY-NRFANRHFSA-N 339.435 4.444 0 1 EIAF O=C1C[C@@H](c2ccc(O)c(Cl)n2)Oc2c1ccc1c2CCCC1 587496242 AJPNZGRCXKGGND-INIZCTEOSA-N 329.783 4.026 0 1 EIAF Cc1cnc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587526289 QOCUZJOREJNXBR-IBGZPJMESA-N 332.403 4.457 0 1 EIAF CCCOc1cccc(Cc2nc3cncc(Br)c3[nH]2)c1 587570336 VOKDKQRBTURWEA-UHFFFAOYSA-N 346.228 4.100 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccnc1C1CCC1 587872388 WXAWTPSXDKIQRR-UHFFFAOYSA-N 338.386 4.135 0 1 EIAF Cc1ccc([C@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1 1857604398 WMJNCYWJEPGMOC-AVRDEDQJSA-N 327.474 4.490 0 1 EIAF CC[C@@H]1C(c2ccc(C(F)(F)F)cc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c1ccccc1)CC(=O)c1ncc(-c2ccccn2)o1 14980146 NJVXRGCJANZJJK-UHFFFAOYSA-N 348.402 4.292 0 1 EIAF COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1 28221994 GGSRTLSKGOVWPE-UHFFFAOYSA-N 349.818 4.396 0 1 EIAF CC[C@@H](C)c1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 28252675 SFWTUIATIJIIIF-QRWLVFNGSA-N 343.540 4.302 0 1 EIAF O=S(=O)(CCCCCc1ccccc1)c1nc2ccccc2o1 28353200 LPCDLMLMPNJVQN-UHFFFAOYSA-N 329.421 4.015 0 1 EIAF COc1ccc([C@H]2CCc3cc(CC(=O)O)cc(Cl)c3N2)cc1 29320841 ZRKBGKDFLYJUFK-MRXNPFEDSA-N 331.799 4.075 0 1 EIAF Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40380351 SOMWPEIBCBZHBS-HNNXBMFYSA-N 331.799 4.037 0 1 EIAF CC[C@@H](C)C[C@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC 66073916 RNCWKUCWPBNWOH-SSIMMUBLSA-N 333.516 4.292 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1cccc(F)c1 73199524 IOATWPHRTJUBPU-FQEVSTJZSA-N 334.350 4.218 0 1 EIAF O=C([C@@H]1CCCc2c1c1ccccc1n2CC[18F])N1CCCCC1 102894545 MCKAREGHLPTICA-QGZFDNQHSA-N 327.434 4.043 0 1 EIAF O=S(=O)(Nc1sc2ccccc2c1Cl)c1ccc(F)cc1 204774925 MZEHVNZCTQWOOF-UHFFFAOYSA-N 341.816 4.495 0 1 EIAF Brc1c[nH]c2nc(-c3ccc(C4CCC4)cc3)nc-2n1 586881934 XPGPNMYEJACBSX-UHFFFAOYSA-N 329.201 4.002 0 1 EIAF Cc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c(C)n1 587127330 QQIKQRBWCSUOSP-UHFFFAOYSA-N 347.300 4.017 0 1 EIAF Fc1ccc(/C=C/c2nc3c(Br)ccnc3[nH]2)c(F)c1 587150194 QJZFZLKIRCMSIM-DUXPYHPUSA-N 336.139 4.169 0 1 EIAF Cc1ccc2c(ccc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c32)n1 587164385 ULQKMFLBXVLYHI-LJQANCHMSA-N 334.398 4.210 0 1 EIAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2c(C)cc(Cl)cc2c1CC 587624297 GDYGCLWVRQVSHN-XNTDXEJSSA-N 334.847 4.158 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)on3)c(C(=O)C(=O)OC)c2c1 587644236 RAXPVNSVAPCHAS-SNVBAGLBSA-N 340.379 4.001 0 1 EIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774573 WOXIEOYEGVCANX-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CSC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587841541 BPCWTKMQOHSBRU-LKFCYVNXSA-N 344.293 4.449 0 1 EIAF CSC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587846323 QOWNWYCERPNSCR-OTYXRUKQSA-N 344.293 4.449 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 587952256 NNJMUGJJMZLILX-ZENOOKHLSA-N 330.428 4.381 0 1 EIAF CC(C)(C)c1cccc([C@]2(C)c3ccsc3CCN2C(N)=O)c1 962719452 WRWBFZKHBYCVDT-LJQANCHMSA-N 328.481 4.246 0 1 EIAF CC(C)c1nn(C)c2c1[C@@H](c1c(Cl)ccc(Cl)c1F)NCC2 962917268 MADFJHZPLJRYFA-MRXNPFEDSA-N 342.245 4.225 0 1 EIAF O=C(O)c1cc(-c2ccc(-c3cccnn3)cc2)nc2ccccc12 1240885624 BGDUXJMONIZZAH-UHFFFAOYSA-N 327.343 4.057 0 1 EIAF Cc1cccc(CNc2ccc(Cc3nc4ncccc4o3)cc2)n1 1772579872 RHBBZQSIOYLWSS-UHFFFAOYSA-N 330.391 4.129 0 1 EIAF Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)cc2n1 1772598454 IDLVUELRPXMBEJ-UHFFFAOYSA-N 326.709 4.454 0 1 EIAF CCCCC[C@H](O)[C@H](O)CC=CCC=CCC=CCCCC(=O)O 2356521995 SYAWGTIVOGUZMM-RBUKOAKNSA-N 338.488 4.382 0 1 EIAF O=C1C=C/C(=C2/Nc3cc(Cl)ccc3N2Cc2ccccc2)C=N1 104021091 ABAMTMPAVYOKGM-XMHGGMMESA-N 335.794 4.151 0 3 EIAF CCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1 3629213 AXDZPXFZNXYVLH-UHFFFAOYSA-N 336.439 4.046 0 1 EIAF CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 3955322 VVCINSRJONWLMI-LSDHHAIUSA-N 348.450 4.000 0 1 EIAF CC(=O)c1cccc(NC(=O)c2cc3sc(Cl)cc3n2C)c1 5036553 NRGZSABLPZICRL-UHFFFAOYSA-N 332.812 4.348 0 1 EIAF OCc1ccc(-c2nn(Cc3c(F)cccc3F)c3ccccc23)o1 27875013 MGIPRYIAGMSXTM-UHFFFAOYSA-N 340.329 4.115 0 1 EIAF c1ccc(-c2cn(C[C@@H]3Cc4c(ccc5ccccc45)O3)nn2)cc1 45289086 STVLEDPDAPNINO-KRWDZBQOSA-N 327.387 4.102 0 1 EIAF C[C@H]1C[C@@H](C)C[C@@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66136691 UIVXVKDVVGELNW-WIEQDCTASA-N 339.410 4.403 0 1 EIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1c(F)cccc1n2CCF 73198881 SXUZXNFBYGVZCD-ZDUSSCGKSA-N 334.410 4.038 0 1 EIAF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166446 LNARRGIOYWLTTN-UHFFFAOYSA-N 336.420 4.469 0 1 EIAF COc1cccc(CNC(=O)CCCCCC(=O)c2ccccc2)c1 96282625 ZYQRHUNKVJQGPR-UHFFFAOYSA-N 339.435 4.145 0 1 EIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1CC 100037931 MSNWJDZMEHZCQN-ZBQKJFDRSA-N 343.423 4.268 0 1 EIAF COc1ccc(COc2coc(/C=C/c3ccccc3)cc2=O)cc1 103182202 PENXTAVNLROKMW-KPKJPENVSA-N 334.371 4.398 0 1 EIAF Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)CCC3 167573004 OPFARJPLUMRBFF-UHFFFAOYSA-N 343.839 4.273 0 1 EIAF COc1c(Cl)cccc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226052324 QYNOXIYXUPRZQQ-UHFFFAOYSA-N 341.842 4.359 0 1 EIAF CCCC[C@@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@H]1N 253656037 PREGFYVMCPMPHS-MLGOLLRUSA-N 330.394 4.058 0 1 EIAF CSc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913838 QNXQUCZCEHNAKW-UHFFFAOYSA-N 340.448 4.087 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 587068958 GVEBOULOVTXVLQ-GFCCVEGCSA-N 342.826 4.128 0 1 EIAF Clc1ccc(-n2cc(-c3nc4ccc(Cl)cc4[nH]3)nn2)cc1 587075891 MHEGDUHGHCQZRJ-UHFFFAOYSA-N 330.178 4.117 0 1 EIAF Cc1ccc2c3c(cc([C@@H](C)CC(=O)O)nc13)-c1ccccc1C2=O 587102009 YHRCUZMJPPHTNW-LBPRGKRZSA-N 331.371 4.333 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccccc4c1Cl)[C@@H](C2)C3=O 587419511 FLGWZOJBFAUAGV-HXPMCKFVSA-N 339.778 4.319 0 1 EIAF CC[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437477 FXKBHFRBSCGVFL-VFNWGFHPSA-N 333.387 4.229 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(C)c1O)CC2=O 587466862 NRGDYJFTXNUVBE-QGZVFWFLSA-N 330.355 4.204 0 1 EIAF O=C1C[C@@]2(CCNc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587503145 CXACNDQYFBHDOX-OAQYLSRUSA-N 337.394 4.381 0 1 EIAF CC(C)[C@@H]1C[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536240 SLEYABMWKLVRJR-YSSFQJQWSA-N 328.452 4.350 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccs2)N1 587854986 UYUVCGXYNRBUQT-RMLUDKJBSA-N 326.234 4.273 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccn1 587860065 LXPWEKHAVHSWPR-UHFFFAOYSA-N 335.194 4.035 0 1 EIAF CC[C@@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861816 CUEIBTUGXXEANK-SNVBAGLBSA-N 326.318 4.264 0 1 EIAF CC(C)(C)[C@H]1OCC[C@@H]1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874165 WGEWWQOFRRDJCS-ZBEGNZNMSA-N 330.359 3.886 0 1 EIAF CCOC(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 587929985 DYNAIJPYPRVEIY-CYBMUJFWSA-N 338.407 4.094 0 1 EIAF Clc1c[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2n1 587955019 FCTNOZXBBHTYHY-OAHLLOKOSA-N 334.810 4.333 0 1 EIAF COc1cccc2cc3c(nc12)[C@](C)(CCCC(F)(F)F)NCC3 963065051 IMHFQGCIFCNBKE-KRWDZBQOSA-N 338.373 4.337 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1ccccc1 963243960 UTZKTPQUQYICEY-HTAPYJJXSA-N 337.463 4.150 0 1 EIAF c1ccc(CCC[C@H](CSC2CCCCC2)c2nn[nH]n2)cc1 1772628395 GNZBCRVTPPFZQV-MRXNPFEDSA-N 330.501 4.372 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@H]2[C@@]1(C)CO)C[C@@]45C 2356549696 IIFAULFSLBRVHS-QMTHTIGJSA-N 346.511 4.179 0 1 EIAF NC(=O)N(O)[C@H]1CCCc2cc(OCc3ccc(Cl)cc3)ccc21 15400 GMJYCQSOQPTBAY-KRWDZBQOSA-N 346.814 4.066 0 1 EIAF CC(C)(C)c1cc(NC(=O)Nc2cccnc2)n(-c2ccccc2)n1 13474645 TVRPKAJOVUHTMP-UHFFFAOYSA-N 335.411 4.209 0 1 EIAF N=C(N)c1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2cc1F 14954801 QXRGLPOCPFPVHS-UHFFFAOYSA-N 346.365 4.026 0 1 EIAF Cc1nn(-c2ccccc2)cc1-c1nc2c(cnn2C2CCCC2)[nH]1 20418653 WPTRRZYNLAKJQM-UHFFFAOYSA-N 332.411 4.036 0 1 EIAF COC[C@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12 26647904 YHEZQOSUVDWMEX-GOSISDBHSA-N 334.463 4.488 0 1 EIAF CN(C)CCNc1cc(-c2ccccc2F)nc2ccc(F)cc12 28640919 UFRGRUJZODCMSK-UHFFFAOYSA-N 327.378 4.154 0 1 EIAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2cccnc2)CC1 28708164 MEUYOYHIZBZUGT-QFIPXVFZSA-N 344.458 4.155 0 1 EIAF CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1 28822048 AGXYJGOJFCYJET-UHFFFAOYSA-N 348.450 4.071 0 1 EIAF CC(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954180 ZFXDDXAVZDTACE-NSHDSACASA-N 327.133 4.276 0 1 EIAF CC(=O)Oc1ccc(-c2c(C)c3ccc(OC(C)=O)cc3n2C)cc1 29230594 GXOGAXLKJWVMNQ-UHFFFAOYSA-N 337.375 4.004 0 1 EIAF CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](COC(C)=O)N13 34535777 WENCIPPGJFUDAM-YOUFYPILSA-N 349.515 4.255 0 1 EIAF CC(C)=CCC[C@H](C)[C@H]1c2cc(C(=O)O)cc(O)c2[C@H](C)C[C@H]1O 36474574 AJKOJRZSLOIVHU-XGIHMFCUSA-N 332.440 4.425 0 1 EIAF CCC[C@H](C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43023173 CPPOCKDLLMLTSE-AWEZNQCLSA-N 339.414 4.217 0 1 EIAF CC1=NN(C(=S)SCc2ccccc2)[C@](O)(c2ccccc2)C1 49053474 OHOVDUNYWWMFIK-GOSISDBHSA-N 342.489 4.132 0 1 EIAF CCN(CC)C(=O)c1cn(CCOc2ccccc2)c2ccccc12 66129701 JMTRJHKADJCSNO-UHFFFAOYSA-N 336.435 4.202 0 1 EIAF CCCCNC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccccc1F 82151075 HJPBCIQEFGAZFU-ZDUSSCGKSA-N 344.434 4.023 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](CC[C@@H]12)C3 85614635 YQNLDLVKFNZFTI-IHBGNSAWSA-N 332.440 4.105 0 1 EIAF in-man O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(C(F)(F)F)c2[nH]1 586906716 GVVGOHPRXIGLIV-SECBINFHSA-N 334.297 4.163 0 1 EIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586908152 ZLNPKHZPPSRFQA-ZETCQYMHSA-N 332.709 4.044 0 1 EIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587151961 XGGPRFPCHCLCKP-ZETCQYMHSA-N 343.255 4.395 0 1 EIAF COc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167340 QLGKWWCHOUGYTJ-VOTSOKGWSA-N 345.761 4.016 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587169153 UKVDMZUJAFUUBQ-ZCFIWIBFSA-N 328.240 4.398 0 1 EIAF Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1C 587169224 XWTKBMCQFHTFLC-UHFFFAOYSA-N 347.397 4.444 0 1 EIAF Cc1cc(Cl)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587171596 PPHBYUPKUIERDW-UHFFFAOYSA-N 332.762 4.121 0 1 EIAF C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345418 IZHRIWPRTCSWDI-TZIWHRDSSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)F)c1)O2 587381967 JJKVHNANCNQQIX-HNNXBMFYSA-N 337.297 4.182 0 1 EIAF CCSc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587450428 GJGAGAFNMRDBIL-BEFAXECRSA-N 326.417 4.296 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1N(CC)CC)CC2=O 587469081 HQYNFZSFSNOPKU-TZIWHRDSSA-N 345.483 4.333 0 1 EIAF CCOC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 587521410 CWGWNYWVQUMKAO-HXUWFJFHSA-N 342.435 4.023 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 587951689 ISDONQQVGSHMGE-IOASZLSFSA-N 330.428 4.396 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2cc(Br)cnc2[nH]1 587955095 JWWZDUYBXFXAIF-UHFFFAOYSA-N 330.229 4.355 0 1 EIAF Oc1ccc(F)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1F 963118367 FTFQGHQPSZYXNW-HNNXBMFYSA-N 330.161 4.212 0 1 EIAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1 2356300859 UJSGPMRFRCTSAX-BXWFABGCSA-N 343.515 4.226 0 1 EIAF CCCCC[C@@H](O)C=CC1=CCC(=O)[C@@H]1CCCCCCC(=O)O 2356572131 PUIBPGHAXSCVRF-QZTJIDSGSA-N 336.472 4.424 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)C[C@@H]1OC(=O)C(C)C 2356658136 HVFJSBZJDKFFKY-HFTRVMKXSA-N 334.456 4.056 0 1 EIAF CC(=O)O[C@@H]1C=C2C=C[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]4(C)O)[C@@]2(C)CC1 2356756407 CGBFTMGKAPXWPF-FAGWYDQESA-N 344.495 4.408 0 1 EIAF COc1ccccc1[C@H](O)c1nc(-c2cccc3ccccc23)c[nH]1 61898075 YJZLGABSTAEXFW-FQEVSTJZSA-N 330.387 4.320 0 3 EIAF Cc1ccc(C(C)C)c(O)c1[C@@]1(O)OC(=O)c2cccc3cccc1c23 6522371 ZTRRJLIOZOJWKS-QFIPXVFZSA-N 348.398 4.341 0 1 EIAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1c1ccsc1 28238482 BROFGDYGYPYIGK-QGZVFWFLSA-N 336.391 4.418 0 1 EIAF Cc1nc(-c2cc(C)c(OCCCc3cccc(F)n3)c(C)c2)no1 28770248 BZWGTDMEFUDHCF-UHFFFAOYSA-N 341.386 4.208 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 34801188 QNMBJXHTULXJII-ZLMPPKKHSA-N 345.527 4.399 0 1 EIAF Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1 66112440 WYYIFGYFQYWQOA-UHFFFAOYSA-N 328.170 4.275 0 1 EIAF Cn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)s1 73163304 MBLPQOMRDUHJFX-UHFFFAOYSA-N 349.415 4.289 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CCOC1=O 87529357 KLTOIXCFCZRIFD-QDKUENGFSA-N 334.456 4.193 0 1 EIAF in-vitro CC[C@]1(C(=O)NCCc2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl 103295415 DXJLAQORBQZBCH-QMTHXVAHSA-N 334.674 4.219 0 1 EIAF O=C(Nc1ccc(F)cc1Cl)c1n[nH]c(C(F)(F)F)c1Cl 137126605 AFMPDINLHGCCBA-UHFFFAOYSA-N 342.079 4.127 0 1 EIAF CCCC(=O)OCCc1c(C)cc2c(c1COC(C)=O)CC(C)(C)C2 144545873 LGTWVFADEJMXNW-UHFFFAOYSA-N 346.467 4.069 0 1 EIAF Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2 145174522 TVCOLAZYNJSXBP-JRSYVHTFSA-N 348.490 4.307 0 1 EIAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3cc(C)cs3)oc2c1 169159144 XBOVDQOTNPNLDE-NSHDSACASA-N 339.420 4.115 0 1 EIAF O=CNc1cc(C(=O)O)cc(OCc2ccccc2)c1-c1ccccc1 169343297 SEWVMXQFYHRIMS-UHFFFAOYSA-N 347.370 4.199 0 1 EIAF COc1cc(C(c2ccc(O)c(OC)c2)[C@@H](C)[C@H](C)CF)ccc1O 299831487 QCVRIQWIRBKLSC-OLZOCXBDSA-N 348.414 4.489 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586885415 BJMJLFINKUBSED-YMTOWFKASA-N 336.222 4.410 0 1 EIAF CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586890472 PZEQEHQWYQDMIT-GFCCVEGCSA-N 340.267 4.464 0 1 EIAF CCc1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2c1 586916933 PMQIDNCWLPELME-KKSFZXQISA-N 334.419 4.342 0 1 EIAF Cc1ccc2c(ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c32)n1 587017808 ZYXQXUGDLQYOCK-HNNXBMFYSA-N 336.420 4.395 0 1 EIAF Clc1cc2nc(-c3csc4c3CCOC4)[nH]c2nc1Cl 587032097 PEUOVMCRQMOUFR-UHFFFAOYSA-N 326.208 4.066 0 1 EIAF COc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116147 PVBFSXQPWKACPC-UHFFFAOYSA-N 344.296 4.201 0 1 EIAF FC(F)(F)c1ccn(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 587118834 RBSNRLOZLFUCNU-UHFFFAOYSA-N 349.143 4.328 0 1 EIAF CCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455887 QWWFUKYCLSGWQN-CMPZQBNXSA-N 344.451 4.187 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc[nH]c3nccc1-3)CC2=O 587479613 CLYBCNYFLXFUGA-FQEVSTJZSA-N 336.391 4.053 0 1 EIAF O=C1C[C@@H](c2c(O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587528425 ZKHHWGQIIQQSAH-SFHVURJKSA-N 333.387 4.459 0 1 EIAF CC[C@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593789 MYBDWHBHZPHSJN-DAZOGFOGSA-N 340.375 4.053 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2cc[nH]c12 587871773 CTLZSFFTUKAQCM-UHFFFAOYSA-N 349.365 4.258 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)c(F)cc2[nH]1 587926876 LWNLKPWSQZMDLP-NSHDSACASA-N 332.350 4.400 0 1 EIAF COc1ccc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 587935424 KSPPNENDJJEKSL-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF Brc1cc2nc(CC3CC3)[nH]c2cc1Br 587960359 ZXAOQEVYMWWLLL-UHFFFAOYSA-N 330.023 4.040 0 1 EIAF CC[C@]1(Cc2nc3ccc(C(=O)O)cc3[nH]2)CC(=O)c2ccccc2C1 587960602 MQQRSLDXYPIMKN-OAQYLSRUSA-N 348.402 4.029 0 1 EIAF CC[C@H](N)c1ccc(Cl)c(C(=O)c2ccc(Cl)nc2)c1F 1772580037 IXBPZBITBTWPLQ-NSHDSACASA-N 327.186 4.168 0 1 EIAF Cc1cc(Nc2cc(Cl)c(OC(F)F)c(Cl)c2)nc(N)n1 1772646217 RQIDLSBVCAADGG-UHFFFAOYSA-N 335.141 4.019 0 1 EIAF CNC[C@@H]1C[N@]1[C@@H]1C=CC[C@]2(C)[C@@]13CC[C@H](C)[C@]21CCC(C)=C1C3 2356358834 YKMCBIXVHAACBC-QALBJGLESA-N 326.528 4.142 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCOC2 36381543 IMPABEWSEMMGHP-UHFFFAOYSA-N 330.434 4.056 0 3 EIAF COC(=O)c1c(-c2ccc(OC)cc2)sc2cc3c(cc12)OCO3 36388663 TZHMTFPTTQMLEO-UHFFFAOYSA-N 342.372 4.092 0 3 EIAF O=c1[nH]nc(-c2ccccc2)c2[nH]c3c(c12)CCCc1ccccc1-3 5974730 GBOFHHAWWBNKQB-UHFFFAOYSA-N 327.387 4.074 0 1 EIAF CN1C[C@@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@H]1C2 13446460 WOMCGBFNBSIIEA-WMQCIHAUSA-N 349.474 4.019 0 1 EIAF O=C1[C@@H](c2ccccc2)N(c2ccccc2)C(=O)N1c1ccccc1 13680121 YEGAYNNVHYHYEO-LJQANCHMSA-N 328.371 4.401 0 1 EIAF in-vivo Cc1ccc(C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)c(C)c1 13684734 WBSARPOKJMQYHO-IBGZPJMESA-N 344.886 4.380 0 1 EIAF CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 15659168 YZZLWRCPCIMEHR-JZCOGDJRSA-N 325.537 4.088 0 1 EIAF Cc1ccccc1-c1cc(C(=O)O)c2c(-c3ccccc3)[nH]nc2n1 20492088 GUYPKXKRSXBMQO-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2n1cncn1 26403634 OPPZNEHAUJDDQH-QEUPLWARSA-N 337.467 4.261 0 1 EIAF CC[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]2(C)[C@H]1O 28872131 NGUCYKOHBIYXJY-VTMLQEKQSA-N 330.468 4.254 0 1 EIAF CCCCc1cc(NC2CCN(C)CC2)nc(Nc2ccccc2)n1 45229709 YHPXEPYZINXABF-UHFFFAOYSA-N 339.487 4.069 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc(C)c1 82147019 NCRBHNCRELXUJO-LSDHHAIUSA-N 340.471 4.191 0 1 EIAF COc1cc(-c2nnc(SCc3ccccc3Cl)o2)ccc1O 84687204 QBNXGGARABPEDO-UHFFFAOYSA-N 348.811 4.397 0 1 EIAF Cc1c(-c2ccccc2)nn2c(O)cc(CCc3ccccc3F)nc12 103525891 HILMSGJFNSULJG-UHFFFAOYSA-N 347.393 4.335 0 1 EIAF O=C1CCN([C@H]2CCCC[C@H]2OCc2c(Cl)cccc2Cl)C1 142324109 WGXAQCYMUFQJSA-DLBZAZTESA-N 342.266 4.096 0 1 EIAF c1ccc(Nc2ccc(Oc3ncccc3-c3cncnc3)cc2)nc1 142747376 HCFFDQNXNAEGCV-UHFFFAOYSA-N 341.374 4.470 0 1 EIAF COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CCCN(C)C3)cc12 226060693 CFTUHPJPELZSFB-ZDUSSCGKSA-N 339.414 4.187 0 1 EIAF CC(=O)O[C@H]1[C@@H]2[C@@H]3[C@H](C(C)C)C[C@H](O)[C@]3(C)CC[C@@]2(C)C[C@H]2C[C@]21C 238750130 PLRAZEQRSYIUSJ-DPZUCKTFSA-N 348.527 4.424 0 1 EIAF CCCCc1ccc(/C=C2\CN3[C@H]4CC[C@H]3[C@H](C(=O)OC)[C@H]2C4)s1 253637877 YQQAIKWUGKLZAA-JWSQLBQWSA-N 345.508 4.130 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 299815736 STSPSSDQNNGSJA-OWPJMDRSSA-N 340.555 4.005 0 1 EIAF CCC[C@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 299858251 DMYHTEDCSOYDOU-IBGZPJMESA-N 335.403 4.044 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)cc2[nH]1 586962762 HJSXSRTYPSIKIK-GFCCVEGCSA-N 334.832 4.264 0 1 EIAF c1ccc(-c2scnc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587028660 ZCRFFFFTQSKCBE-UHFFFAOYSA-N 335.388 4.125 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(C)C)c1)[C@@H](C2)C3=O 587444497 ZJSBLMPLKUAKLQ-UWJYYQICSA-N 338.403 4.219 0 1 EIAF C[C@]1(c2csc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531016 IDDMXFQRVUAEBL-LJQANCHMSA-N 342.416 4.206 0 1 EIAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cc1 587638098 UCLMNLFIZPVDCG-UHFFFAOYSA-N 345.301 4.043 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2)N1 587818297 HSVQVANQHJQLQH-PIGZYNQJSA-N 334.232 4.406 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1OC 587926725 OAZFTGNCNZFUMN-CYBMUJFWSA-N 347.418 4.475 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587952190 MNSVMVGFQFJYEZ-IAISJRAMSA-N 341.455 4.494 0 1 EIAF N=C(N)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955132 GBMNDKNLDRPYIO-GOSISDBHSA-N 340.430 4.222 0 1 EIAF Cc1cc(O)cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962703733 NQEURABULHWSQA-FOIQADDNSA-N 343.467 4.293 0 1 EIAF O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1 53224702 SAJVKPXYRVNAFJ-UHFFFAOYSA-N 347.821 4.176 0 3 EIAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26394147 YUEVEZWXYBGVTF-JBDXSVLISA-N 345.527 4.301 0 1 EIAF CS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1Cl 29392325 PDFZJRGNDMKUMR-UHFFFAOYSA-N 349.814 4.340 0 1 EIAF Cc1cc(-n2ccnc2)cn2c(CSCCc3ccccc3)cnc12 40862263 IUPLIYLMCDZRED-UHFFFAOYSA-N 348.475 4.304 0 1 EIAF CCCCNC(=S)Nc1nc2ccc(OC(F)(F)F)cc2s1 49068060 KXKOKJBZDYTOSI-UHFFFAOYSA-N 349.403 4.281 0 1 EIAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(CC(C)C)nc2n1 73312805 BCLWOCAQCDGMFL-UHFFFAOYSA-N 349.360 4.394 0 1 EIAF COc1cccc2oc3c(O)nc(-c4ccccc4Cl)nc3c12 84724328 SODRPCOKJCFNSF-UHFFFAOYSA-N 326.739 4.411 0 1 EIAF CCN(CC)CCCOC(=O)[C@@]1(c2ccccc2)C[C@@H]2CC[C@@H]1C2 100191016 BDNMABJZSXTKAQ-YFVAEKQCSA-N 329.484 4.020 0 1 EIAF in-man COc1cc2ccc([C@@](O)(c3cccnc3)C(C)C)cc2cc1OC 169338905 CRZKGBDGHDTLNN-OAQYLSRUSA-N 337.419 4.144 0 1 EIAF CC(C)N1C(=O)c2ccc(-c3cc(-c4ccc(Cl)nc4)no3)cc21 299854704 BCKAIYZXBJNYGS-UHFFFAOYSA-N 339.782 4.426 0 1 EIAF Nc1ccnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 587064254 GOBPNPMRORZCGQ-UHFFFAOYSA-N 340.770 4.033 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587081191 UNSHGQJUYTYKJG-LBPRGKRZSA-N 339.704 4.306 0 1 EIAF Cc1ccc(/C=C\c2nc3cc(Br)cnc3[nH]2)cc1F 587146200 CZVUAKWPIJOEBA-PLNGDYQASA-N 332.176 4.338 0 1 EIAF Cc1c(F)ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12 587247741 RRVOEOBTEBXTGY-UHFFFAOYSA-N 326.375 4.057 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1C(F)(F)F)O2 587380331 DGLJZVZGNWEVEC-OAHLLOKOSA-N 337.297 4.008 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(C)C)[C@@H](C2)C3=O 587439744 CIUWHFMIAWOPHA-KKSFZXQISA-N 338.403 4.219 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@@H](C)CC)CC2=O 587480856 WPAVFYCOXTWWCO-SGTLLEGYSA-N 328.412 4.219 0 1 EIAF C[C@]1(c2cc(O)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509317 YXUDSRIAEIBKNR-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF COc1cccc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528105 ZOYXLLVKAVPFBK-LJQANCHMSA-N 338.403 4.289 0 1 EIAF COc1ccc(/C=C\Cc2nc3cnc4ccccc4c3[nH]2)c(OC)c1 587930314 SYWGHDNRVJLHEJ-WAYWQWQTSA-N 345.402 4.384 0 1 EIAF CCCn1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c(C2CC2)n1 963112367 SIZLYIFSAJDBLF-DYESRHJHSA-N 339.458 4.420 0 1 EIAF Cc1nc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c(C)c1O 1857647285 KHHGWFJDEGUCBR-UHFFFAOYSA-N 339.317 4.375 0 1 EIAF COc1cc([C@@H](O)c2nc(-c3ccccc3OC)cs2)ccc1F 61908994 NWCIGIQQVNOUSA-QGZVFWFLSA-N 345.395 4.048 0 3 EIAF O=C(c1nc(-c2cccc(F)c2)n2c1CCCCC2)N1CCCCC1 9117177 QMEYTWCJPPVANX-UHFFFAOYSA-N 341.430 4.042 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCC1=CC(=O)OC1 12153797 FEOFLRVZBOQGQA-GODCRWGESA-N 332.440 4.113 0 1 EIAF COc1cc2c(c3c1[C@@H](O)C[C@H](c1ccccc1)O3)C=COC2(C)C 14439337 DJLVQLNNAMLMDT-DLBZAZTESA-N 338.403 4.488 0 1 EIAF biogenic CCC(=O)[C@@H]1O[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]12 14972681 HYQRWBLNVVMQFF-KVPLUYHFSA-N 334.456 4.111 0 1 EIAF biogenic C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 26183966 LKAJKIOFIWVMDJ-KDNKFBIHSA-N 328.500 4.118 0 1 EIAF Cc1nc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)no1 29130925 AMGRFGOMMLURCH-UHFFFAOYSA-N 347.418 4.160 0 1 EIAF O=c1c2ccccc2sn1CCCCCN1CC2CCC(CC2)C1 29402986 MRNUGYPSAXTYNT-UHFFFAOYSA-N 344.524 4.355 0 1 EIAF CCN(CC)c1ccc2c(-c3nc4ccccc4n3C)cc(=O)oc2c1 64625028 JRUYYVYCSJCVMP-UHFFFAOYSA-N 347.418 4.193 0 1 EIAF in-vitro OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc3c(c2)OCO3)CO1 101468265 UVBVZIZPWRFCLJ-QGZVFWFLSA-N 339.372 4.135 0 1 EIAF COC(=O)/C1=C/CC/C(C)=C\[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 169293012 NVBLQPUZABQFTK-DYTRJYIQSA-N 346.467 4.259 0 1 EIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCc2ncsc21 211887345 ZYYPYPOILCSKFS-JTQLQIEISA-N 341.263 4.105 0 1 EIAF CC(C)(C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2F)cn1 473172593 YIRVBDZTHISHJM-UHFFFAOYSA-N 341.361 4.202 0 1 EIAF Cc1c(-c2nc3c(Br)cccc3[nH]2)oc2c1[C@H](O)CCC2 586904954 DRMAGVFPHAQHQD-LLVKDONJSA-N 347.212 4.264 0 1 EIAF COc1cc(/C=C/c2nc3cncc(C)c3[nH]2)ccc1Br 586977874 UWIYQLDGBXHMJL-GQCTYLIASA-N 344.212 4.208 0 1 EIAF Clc1c[nH]c2nc(-c3cc(Br)ccc3Cl)nc-2n1 586980160 LVSBKXUDHJLVAJ-UHFFFAOYSA-N 343.999 4.041 0 1 EIAF C[C@H]1CCc2sc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2C1 587033130 DKUVXKBMXCAFNY-XXFAHNHDSA-N 326.425 4.140 0 1 EIAF Cc1ccc(C)c2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc12 587110803 CESGDAUNXLNDAK-UHFFFAOYSA-N 347.340 4.129 0 1 EIAF Cc1ccc(/C=C\c2nc3cc(Br)ncc3[nH]2)cc1F 587146854 YNLXTGXSFDEBQK-PLNGDYQASA-N 332.176 4.338 0 1 EIAF CCOC(=O)Cc1cccc(-c2cc3c4c(cccc4n2)CC3)c1F 587210629 SRWRSMKLFLPKGL-UHFFFAOYSA-N 335.378 4.245 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(N3CCCC3)c1)O2 587382743 UMJIKCJUHVDQTC-IBGZPJMESA-N 340.398 4.023 0 1 EIAF CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1C 587453062 PALRTWIOJPUGTJ-AWUDNFKKSA-N 332.465 4.122 0 1 EIAF O=C1C[C@@H]([C@@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 587535652 MTTVXMKVZWFMIL-KKSFZXQISA-N 334.415 4.151 0 1 EIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775080 YSWAGONNJKTPHH-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 587783775 ACJSIEIODDCISR-KGLIPLIRSA-N 326.783 4.160 0 1 EIAF Cc1cc2ncc(-c3nc(-c4ccc(F)c(F)c4)cs3)cn2n1 587922720 SXYLORZMOSNZMG-UHFFFAOYSA-N 328.347 4.106 0 1 EIAF CC(C)[C@@H]1N=C(c2cccnc2)c2cc(Cl)ccc2NC1=S 1857638866 NHXMTPYZEOZXTD-HNNXBMFYSA-N 329.856 4.350 0 1 EIAF CCCCCC=C[C@H](O)[C@@H](O)C=CC=CCC=CCCCC(=O)O 2356686367 CGXPEDOFBFGHJH-OALUTQOASA-N 336.472 4.158 0 1 EIAF COc1cc([C@@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)ccc1O 14488302 JPDORDSJPIKURD-SEEPXDQQSA-N 342.391 4.214 0 1 EIAF endogenous,in-man Cc1[nH]cnc1Cc1nc(-c2cccc(Br)c2)cs1 26645813 LEFLUMLLFZFRQC-UHFFFAOYSA-N 334.242 4.195 0 1 EIAF CCc1cccc2c1[C@H](Cc1ccc(OC)c(OC)c1)N(C)CC2 28461924 OSVSZCYVFYTBLK-SFHVURJKSA-N 325.452 4.038 0 1 EIAF CCN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2Cl)CC1 29128765 XFHLEOOAWLOFHN-UHFFFAOYSA-N 349.906 4.001 0 1 EIAF Cc1ccc2c(c1)N(C)C1=C(C(=O)OC1)[C@@]2(C)c1ccc(Cl)cc1 40402166 CHGFOCOTNHJTQG-FQEVSTJZSA-N 339.822 4.215 0 1 EIAF CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 45495612 YDRPDRAEFURBJV-SFHVURJKSA-N 342.826 4.436 0 1 EIAF COc1cc2ncnc(N(C)c3ccc(C)c(Cl)c3)c2cc1OC 64446793 FIBURKKSAXJLOB-UHFFFAOYSA-N 343.814 4.377 0 1 EIAF c1ccc(COc2ccc([C@H]3C[C@@H]3NCc3ccccn3)cc2)cc1 69879437 PUKPTRPSSAXMPI-YADHBBJMSA-N 330.431 4.306 0 1 EIAF CCO[P@@](=O)(NC(C)C)Oc1ccc(C)cc1Br 102082054 JCIKRWGYQWMBEZ-SFHVURJKSA-N 336.166 4.279 0 1 EIAF O=C(Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccn1 164836329 SIYBBBZYNWJWMW-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF Cc1cc(CNCCC(C)C)ccc1Oc1ccc(C(N)=O)cc1F 165480172 LFBXAEHQTYUOBS-UHFFFAOYSA-N 344.430 4.161 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586881547 XHSFIXOGZOARRD-YVMONPNESA-N 348.280 4.226 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586911611 MDGTVNDJBUOJGB-KUHUBIRLSA-N 336.439 4.067 0 1 EIAF Fc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c(F)c1F 587017841 POIWOKQDAFIFDV-UHFFFAOYSA-N 335.310 4.288 0 1 EIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023607 NAHRMZQECVGXKK-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF CSc1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069954 NHSWRGMZSGLCAJ-GFCCVEGCSA-N 331.872 4.223 0 1 EIAF N=c1[nH]ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587123348 DDEZAYUTLHRKGT-UTCJRWHESA-N 336.342 4.153 0 1 EIAF Fc1ccc2[nH]c(-c3nc4cc5c(cc4[nH]3)OCO5)c(Cl)c2c1 587175627 WMOKWXHVCZTSFI-UHFFFAOYSA-N 329.718 4.232 0 1 EIAF Brc1cncc(Cc2cnc3cccc4c3c2CC4)c1 587208003 JTMJQAVMVBNRFI-UHFFFAOYSA-N 325.209 4.082 0 1 EIAF N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1cccc2ccccc12 587259001 VRCLLLNWFNNVJU-AWEZNQCLSA-N 340.789 4.146 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc(C)c(C)cc31)O2 587410943 HOZKOLAFMYQXNA-OAQYLSRUSA-N 337.419 4.227 0 1 EIAF CC[C@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440626 PMOMDKVPGNGITE-LKNMKHRSSA-N 338.403 4.361 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC[C@@](C)(c4ccccc4)C1)[C@@H](C2)C3=O 587448155 ZOLBKJLXTFCOLO-WTOYTKOKSA-N 334.415 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1OC)CC2=O 587467280 RYQCXCHHHUOGSD-QGZVFWFLSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](OC)c1ccccc1)CC2=O 587477359 BXONOHXSMWCXNX-LEWJYISDSA-N 340.419 4.456 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccccn1)CC2=O 587490562 YGCPJJBVSNTGPJ-FQEVSTJZSA-N 325.408 4.401 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]2C1CCC1 587603996 QMAHLNMFMLURIP-FYINFDKHSA-N 336.387 4.303 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccco2)N1 587828225 MYGOOQWHQQEUML-YIWBICRLSA-N 336.204 4.470 0 1 EIAF COc1ccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1 1857643677 VASGUBTWBKZATA-UHFFFAOYSA-N 338.403 4.313 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1cccc(O)c1)O2 1857650769 WMHHQTMUYGNAPC-QGZVFWFLSA-N 340.375 4.019 0 1 EIAF CC(C)c1cc2c(cc1O)C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356541751 YNDIFOCLBVZRHQ-IHPCNDPISA-N 330.424 4.251 0 1 EIAF COc1ccccc1-c1csc([C@](C)(O)c2cccc(F)c2)n1 61907528 ZAAPAVLABYFPOU-GOSISDBHSA-N 329.396 4.214 0 3 EIAF Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccs1 1658114 SBPHIPNBLYQLAF-UHFFFAOYSA-N 335.841 4.415 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]21CO1 5535020 OULYBQZTBUFJRZ-ZWJPJJENSA-N 344.495 4.461 0 1 EIAF biogenic CN1CCC[C@@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@@]21C 6482916 AYIZBBPMNRJANA-MGTDTEAMSA-N 329.488 4.026 0 1 EIAF O=C1c2cc(Cl)c(Cl)cc2[C@]2(c3ccccc3)SCCN12 6582296 PHJHAJANDKQZDE-INIZCTEOSA-N 336.243 4.397 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)C#CCl 11680010 KEOBKPHJNAILCW-LWYYNNOASA-N 330.855 4.123 0 1 EIAF biogenic CCCCC/C=C/C/C=C/C[C@@H](O)[C@@H](O)C/C=C/CCCC(=O)O 12495900 DCJBINATHQHPKO-DWCISJCFSA-N 338.488 4.382 0 1 EIAF COCCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1 13803322 PMDSTJDYKPKKER-UHFFFAOYSA-N 347.777 4.191 0 1 EIAF CC(C)=CCOc1ccc2c3c(c(=O)n(C)c2c1)C=CC(C)(C)O3 15216900 QUBNRRDPFCEPQM-UHFFFAOYSA-N 325.408 4.068 0 1 EIAF biogenic COc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)Nc1nccs1)CC2 25206434 RLHDIXNQLDWPNY-OCCSQVGLSA-N 344.480 4.148 0 1 EIAF biogenic Cc1cc(C)nc(N(CCCCN(C(C)C)C(C)C)C(=O)N(C)C)c1 27625993 ANPGFGUFLFDOCX-UHFFFAOYSA-N 348.535 4.085 0 1 EIAF COc1ccc(-c2ccc(C(N)=O)c(Cl)c2)cc1OC1CCCC1 27847662 UWQDSRUMENBJEG-UHFFFAOYSA-N 345.826 4.436 0 1 EIAF C[C@H](Oc1cccc2nc(N)nc(N)c12)c1cccc2ccccc12 28971602 HRYKZUBVFQFNEE-LBPRGKRZSA-N 330.391 4.087 0 1 EIAF NC[C@H](NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40893570 ZSJZLUDDBSGIPE-SFHVURJKSA-N 348.475 4.081 0 1 EIAF Cc1ccc2cc(-c3n[nH]c4ccc(N[C@H](C)CN(C)C)cc34)[nH]c2c1 66074117 OZUVLXJPLOJMED-CQSZACIVSA-N 347.466 4.382 0 1 EIAF C[C@]12CCCC[C@@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O 169345775 ABDWAQIYMKYCPD-ABKXIKBNSA-N 343.206 4.317 0 1 EIAF Cc1c(-c2nc3cc(OC(C)C)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905270 ISTJDEQFBSQKKZ-HNNXBMFYSA-N 326.396 4.288 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 586908819 DIPNNCKAOAKSKK-BXKDBHETSA-N 327.197 4.137 0 1 EIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(F)cc(F)c2[nH]1 587108625 GHSKZUUAWRBVJA-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1F)(C1CC1)O2 587385974 SCUJHCZJIKKOJO-FQEVSTJZSA-N 325.383 4.073 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3cccc(C(=O)O)c13)O2 587410156 YPFMFMFFBSEHGT-SFHVURJKSA-N 347.370 4.135 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c1ccc(C)c3C)O2 587414609 WLBRZRHMRALTHA-OAQYLSRUSA-N 337.419 4.227 0 1 EIAF CCn1ncc(Cl)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500009 LBULUGIJOZMGBU-LJQANCHMSA-N 344.842 4.316 0 1 EIAF Cc1cccc(C)c1C(=O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520599 AMVLUCRIZOKFCI-LJQANCHMSA-N 334.415 4.399 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529859 QQCSEJGNERMXEU-HSQYWUDLSA-N 338.447 4.295 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2)N1 587731913 MAGYRFXTDTWVCG-FVMDXXJSSA-N 338.195 4.351 0 1 EIAF COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(OC)c1O 587785378 NWSVJUCJIDJAJB-UHFFFAOYSA-N 339.178 4.260 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1 587868460 LSOLNGHFVUJCGO-UHFFFAOYSA-N 333.313 4.021 0 1 EIAF CC[C@]1(Cc2nc3ccc(OC)cc3[nH]2)CC(=O)c2ccccc2C1 587959521 GBTOASNQWVTMDQ-OAQYLSRUSA-N 334.419 4.340 0 1 EIAF COc1ccc(CN[C@H](O)c2ccccc2-c2ccccc2)c(OC)c1 1772600483 NXSULRYQRSYZQH-JOCHJYFZSA-N 349.430 4.152 0 1 EIAF Cc1ccc2nc(C(CO)(c3ccccc3)c3ccccc3)n(C)c2c1 1857604142 GDJGMLXKSDMEKC-UHFFFAOYSA-N 342.442 4.208 0 1 EIAF CC1=C[C@H](O)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@H]2C1 2356426141 QLVPTADECVIDJG-QRNRZKQXSA-N 330.424 4.017 0 1 EIAF CC1=CN2C=C(C)N(CC(=O)c3ccc(Br)cc3)[C]2C=C1 2356868790 JNANIZMGELHDDH-UHFFFAOYSA-N 344.232 4.074 0 1 EIAF CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1ccccc1-c1ccccc1 61902784 MJBRBJOHWCMYKR-NRFANRHFSA-N 336.435 4.083 0 3 EIAF CC(C)(C)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 13651902 BXZQVFOYDUQAQB-UHFFFAOYSA-N 326.827 4.323 0 1 EIAF Clc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1 28473837 AHVPMNOYJIMSQU-UHFFFAOYSA-N 345.189 4.441 0 1 EIAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3c(C)noc3C)ccc21 28563298 CBEWCJJVGVJDMZ-APWZRJJASA-N 343.423 4.054 0 1 EIAF CNCCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccccc1O2 35090789 USULUTHVZXUORK-UHFFFAOYSA-N 339.391 4.106 0 1 EIAF CC[C@H](C)[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O 40861543 OUAXOKJLGYRLOG-GUYCJALGSA-N 335.407 4.208 0 1 EIAF COc1ccc(-c2ncn(C)c2-c2cc(F)c(OC)c(F)c2)cc1F 73139694 VDPYTERAEYGFPQ-UHFFFAOYSA-N 348.324 4.189 0 1 EIAF Oc1cccc(Nc2ncnc3ccc(-c4cccc(O)c4)cc23)c1 143159517 JLJIZMYJZWBZBY-UHFFFAOYSA-N 329.359 4.452 0 1 EIAF Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 169688411 ORWBGBAPILBMJS-IRXDYDNUSA-N 325.387 4.081 0 1 EIAF C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cc(Cl)cc(Cl)c2)c1O 169727163 IKINEOLQRJAILH-HOTGVXAUSA-N 340.206 4.450 0 1 EIAF CCCCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 221115517 FPCGRCKIYDALNP-UHFFFAOYSA-N 332.469 4.094 0 1 EIAF C[C@@]1(Oc2cncc(Cl)c2)CCN(Cc2cc3ccccc3[nH]2)C1 230559657 MYGNPMXGOVEGAS-LJQANCHMSA-N 341.842 4.260 0 1 EIAF CCOC(=O)Cc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907570 MXWKQCKXYZLGBY-UHFFFAOYSA-N 348.402 4.200 0 1 EIAF Oc1ccc(C2(c3nc4cc(Cl)c(F)cc4[nH]3)CCOCC2)cc1 586913968 XWVDRWDJXIUCBO-UHFFFAOYSA-N 346.789 4.158 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cs1 587022059 UBPJJWTVCMPLLZ-UHFFFAOYSA-N 328.347 4.044 0 1 EIAF Cc1csc(SCc2ccc(-c3nc4ncc[nH]c-4n3)cc2)n1 587022360 WKWKIDUJANRDOG-UHFFFAOYSA-N 339.449 4.029 0 1 EIAF CCOC(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587024943 CXQYCFGVSDJOTF-UHFFFAOYSA-N 332.450 4.235 0 1 EIAF Brc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587036674 JGWLZFWDJLIZGJ-CYBMUJFWSA-N 349.253 4.243 0 1 EIAF Cc1cc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c(C)n1 587224136 FHAHLTDWPUQUFO-INIZCTEOSA-N 344.459 4.331 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(F)ccc(Cl)c31)O2 587387514 TVJCGCXPDFPVOM-SFHVURJKSA-N 331.774 4.177 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)n(C)c3ccccc13)O2 587389101 FDTGKLBBLNZQEG-NRFANRHFSA-N 334.419 4.258 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc5ccccc5cc41)[C@@H](C2)C3=O 587447251 OLOKKMNYLYRLBW-WMZHIEFXSA-N 342.394 4.438 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccn1)CC2=O 587470114 IGJJNXLMNYSQJV-IBGZPJMESA-N 348.402 4.237 0 1 EIAF Cc1cc(C(=O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587504399 JGNQONGYWSJZMR-IBGZPJMESA-N 338.378 4.230 0 1 EIAF CCCC(=O)O[C@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587520518 DNNOURYDFZXTMN-ZUOKHONESA-N 330.424 4.021 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccn2)N1 587774747 XHZBUAWJPABDCC-NHYWBVRUSA-N 349.247 4.191 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC2(C)C)N1 587815770 QACKTDNFFBXDEE-WKFLNTIRSA-N 326.253 4.384 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587824003 SVPVXXCGLDKCGZ-QNTISZIASA-N 336.248 4.376 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1ccccc1 963243963 UTZKTPQUQYICEY-VGOFRKELSA-N 337.463 4.150 0 1 EIAF COc1cccc(-c2nc(N)c3nc(-c4ccccc4)sc3n2)c1 1857565492 SGGUOPWXHFAGDQ-UHFFFAOYSA-N 334.404 4.011 0 1 EIAF Clc1ccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)cc1Cl 1857579189 WHYYIMCNYLLRKP-UHFFFAOYSA-N 348.237 4.317 0 1 EIAF COC[C@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@H](C=Cc1ccccc1)C2 1857622987 ODBOCRLDKFDGTG-PSWRPDDJSA-N 336.431 4.046 0 1 EIAF CCCCC[C@@H](O)C=CC=CC[C@H](O)C=CC=CCCCC(=O)O 2356689012 VBQUXWAGWFCNLJ-RTBURBONSA-N 336.472 4.158 0 1 EIAF Cc1cc(F)ccc1C1=Nc2c(F)cccc2S[C@@H](C(=O)O)C1 28976856 MDJFOEHBYCYDTD-OAHLLOKOSA-N 333.359 4.343 0 1 EIAF CCOC(=O)[C@@]12C[C@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O 34821498 DVSDTEGCUCSBLW-OALUTQOASA-N 347.842 4.063 0 1 EIAF O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1 49785643 NAEQLYJGLPELMV-UHFFFAOYSA-N 339.782 4.406 0 1 EIAF Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cccc(F)c2n1 71332973 LQEMETPMRDSNHH-UHFFFAOYSA-N 338.386 4.392 0 1 EIAF Oc1ccc(-c2nc(CNCc3ccc(C(F)(F)F)cc3)co2)cc1 72185653 OONRMPMCRJMWGH-UHFFFAOYSA-N 348.324 4.356 0 1 EIAF CC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1 95573416 ZRZWDPLGTAJRFF-UHFFFAOYSA-N 343.434 4.362 0 1 EIAF COc1cc([C@@H]2CC(=O)c3c(cc(C)c(Cl)c3C)O2)ccc1O 96927858 KFJKDGSKSDSMHI-AWEZNQCLSA-N 332.783 4.378 0 1 EIAF CC(C)n1nccc1-c1ncccc1COc1cccc(F)c1C=O 146033918 GTAYSDREQLXNMN-UHFFFAOYSA-N 339.370 4.057 0 1 EIAF Cc1nc(Cl)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700095 VDGGHGDHQDOEMY-UHFFFAOYSA-N 338.798 4.002 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1ccnn1 253634798 OKJRJJXKSVCWCZ-YFWFAHHUSA-N 339.483 4.053 0 1 EIAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587048781 AGHMTOSQNYGNNU-UHFFFAOYSA-N 339.157 4.029 0 1 EIAF O[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1Cl 587059488 RCRNQNZEJMYLAZ-CYBMUJFWSA-N 344.695 4.456 0 1 EIAF N=c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 587253830 LRORXFKPEIAVSU-UHFFFAOYSA-N 328.297 4.209 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587419340 DPVPUCULGJSACD-ORAYPTAESA-N 339.778 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCSc4ccccc41)[C@@H](C2)C3=O 587452398 MLKYSXUMEBKSHA-YWZLYKJASA-N 338.428 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)nc(Cl)c1)CC2=O 587459751 FZPYXZAQVYKLEP-MRXNPFEDSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(-c3ccccc3)[nH]1)CC2=O 587483323 LXJZOEREGJYDAQ-LJQANCHMSA-N 348.402 4.441 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCCc1ccccn1)CC2=O 587491494 TWPRLAQERXDONQ-OAHLLOKOSA-N 325.408 4.096 0 1 EIAF CCCn1ncc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516899 GCFFDXOKLFQAQK-OAQYLSRUSA-N 338.451 4.361 0 1 EIAF O=C1CC2(C[C@@H]3CC[C@H](C2)N3C2CC2)Oc2c1ccc1c2CCCC1 587518508 JWGAVAJNRZLJAD-AQKKSAQBSA-N 337.463 4.059 0 1 EIAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530874 WHLKGZBMPRSOQE-SSKFGXFMSA-N 338.447 4.295 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCSCC2)N1 587853572 AIPMXOJOJXJZQK-PSLIRLAXSA-N 344.293 4.307 0 1 EIAF COc1ccc(/C=C\Cc2nc3ccc(F)c(C)c3[nH]2)c(OC)c1 587930285 SGFCURPMSSEFGQ-PLNGDYQASA-N 326.371 4.284 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccnc(Cl)c2[nH]1 587934251 GSAONXNRVHRQSX-UHFFFAOYSA-N 325.799 4.192 0 1 EIAF Cc1c(C(=O)NC(C)C)oc2ccc3c(c12)[C@H](O)CC1(CCCC1)O3 6751303 NVZDTUTUDSURIG-CYBMUJFWSA-N 343.423 4.008 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 13401989 FEOFLRVZBOQGQA-LONLNUGOSA-N 332.440 4.113 0 1 EIAF biogenic CC[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 18128878 GTQKXNGZWXCFBI-NRXGSXMXSA-N 344.414 4.338 0 1 EIAF CC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc2O1 26822575 TXUBIHLQQVSERQ-UHFFFAOYSA-N 325.330 4.230 0 1 EIAF C[C@H]1CNCCc2cc(OCc3ccccc3)c(Br)cc21 28119129 BNEIDDXVFTVOOR-ZDUSSCGKSA-N 346.268 4.277 0 1 EIAF Cn1cc[n+](C)c1/C=C/c1ccc(-c2ccc(Br)cc2)o1 38822468 CGSJOHHUPYWJMZ-CSKARUKUSA-N 344.232 4.043 0 1 EIAF O=C(c1ccccn1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1 40631869 LKWPGQMNTLMERH-VQTJNVASSA-N 328.415 4.185 0 1 EIAF O=[P@@]1(O)OC(c2ccccc2)=C(Cl)c2ccc(Cl)cc21 49111536 ILQKLOHKZYLQEJ-UHFFFAOYSA-N 327.103 4.246 0 1 EIAF COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3cnccc3C)n12 73156540 WFSLPYROCMIATC-UHFFFAOYSA-N 336.370 4.017 0 1 EIAF COC(=O)[C@H]1CO[C@H]2CC(C)=CCCC(C)=CCC[C@@]3(C)O[C@@H]3C[C@H]21 254201706 VIEFJEKSUZSOST-VDRZXAFZSA-N 348.483 4.195 0 1 EIAF COC(=O)[C@H](F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586995937 NQCNFZYCCBOBGB-QGZVFWFLSA-N 349.361 4.247 0 1 EIAF Clc1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1Cl 587015790 BEYSHOBQKHSESF-MRVPVSSYSA-N 341.223 4.240 0 1 EIAF CCc1cc(OCc2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl 587052714 JIMKPPXHUZZDIW-UHFFFAOYSA-N 326.787 4.234 0 1 EIAF COc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cn1 587075253 AJMQJXYPBDKWOJ-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF Cc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587123998 KDFUDXBQRXDXJL-JOYOIKCWSA-N 335.333 4.042 0 1 EIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(F)cc2[nH]1 587147433 MTKZMFMCIKKEGF-UHFFFAOYSA-N 346.287 4.187 0 1 EIAF Cc1cc(-c2cc3c4c(cccc4n2)CC3)ncc1Br 587208586 VJJMMQAJKIYRBB-UHFFFAOYSA-N 325.209 4.466 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(Cl)c1F)[C@@H](C2)C3=O 587427270 RQKAUZDNWTXNKG-HUTHGQBESA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)cc1Cl)CC2=O 587459972 FHHLAEWKCVCSSH-LJQANCHMSA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(OC)c1)CC2=O 587483084 UTMYAYMJHWFBOC-OAQYLSRUSA-N 340.419 4.320 0 1 EIAF O=C1C[C@H](c2cc(Cl)ncc2O)Oc2c1ccc1c2CCCC1 587497731 GGTUKUURYBPADP-MRXNPFEDSA-N 329.783 4.026 0 1 EIAF O=C1C[C@H](c2cccc(-n3cccn3)c2)Oc2c1ccc1c2CCCC1 587516566 DDYLZGBQORXJCS-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF O=C1C[C@@]2(C=COc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587531647 KKXMRAWYEKWTPE-OAQYLSRUSA-N 334.371 4.038 0 1 EIAF CC(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587574513 BIWNMQNOACIDSE-NQIIRXRSSA-N 349.386 4.478 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587773960 SUJKNNNEJVMJNM-APPDUMDISA-N 349.247 4.224 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1cc(F)ccc1F 587870609 FDDLIRKTEYOHPU-UHFFFAOYSA-N 345.324 4.240 0 1 EIAF CC[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1cc(Cl)cn1 587874402 YYLOTCYFCWJOEP-ZDUSSCGKSA-N 346.749 3.936 0 1 EIAF Cc1ccc(O)cc1[C@@H]1c2cccc(Br)c2CCN1C 963279858 JZWLPLXSCLXXBE-KRWDZBQOSA-N 332.241 4.040 0 1 EIAF CCCCC[C@@H](O)C=CC1=CCC(=O)[C@H]1CCCCCCC(=O)O 2356572130 PUIBPGHAXSCVRF-MSOLQXFVSA-N 336.472 4.424 0 1 EIAF C[C@]1(c2nnc(-c3ccccc3)o2)CC(c2ccc(Cl)cc2)=NO1 13657572 KKXDPHSOZDQZLQ-GOSISDBHSA-N 339.782 4.430 0 3 EIAF Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)-c1[nH]ncc1CC2 6748358 ZKLNVTCCMSPXLO-UHFFFAOYSA-N 341.798 4.291 0 1 EIAF CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 13835092 QDSIDUDDIDQCIC-UHFFFAOYSA-N 328.843 4.389 0 1 EIAF CC[C@@H](C)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 25972077 RTSSDLWGRZSYAV-SNVBAGLBSA-N 341.802 4.401 0 1 EIAF CCCN(Cc1ccc(OC)cc1)[C@@H]1CCc2c(cccc2OC)C1 26279039 JAUQVGAQEBWHPG-LJQANCHMSA-N 339.479 4.473 0 1 EIAF COc1ccc(O)cc1C(C)(C)C(C)(C)c1cc(O)ccc1OC 28757105 NCHOWBKXULSVAQ-UHFFFAOYSA-N 330.424 4.370 0 1 EIAF CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 29126909 XTYGZPBJDVNICY-UHFFFAOYSA-N 346.386 4.270 0 1 EIAF O=C1Nc2ccccc2/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 33317400 FIMLBDPZXBRGDH-LFIBNONCSA-N 331.327 4.138 0 1 EIAF CC(C)NCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 36520172 ZLAYBKWUXUOENM-UHFFFAOYSA-N 341.382 4.009 0 1 EIAF CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F 40892775 AXSIMFCMARYOJY-UHFFFAOYSA-N 348.805 4.261 0 1 EIAF O=C(Nc1cc(Oc2cccnc2)ccn1)c1cccc(Cl)c1 96175610 DWDWCMMYVDXENC-UHFFFAOYSA-N 325.755 4.175 0 1 EIAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccoc1 96914429 HCRCTWKLWQKZTO-UHFFFAOYSA-N 339.738 4.389 0 1 EIAF CCCCC[C@H](O)[C@@H](O)/C=C/C=C/C=C\C/C=C\CCCC(=O)O 196306839 RFCYXKNVYQOCTM-FDMWOPBLSA-N 336.472 4.158 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C[C@@H]12)OC(=O)[C@@H]3C 238761049 QPYNKFVRSIYHQA-QXGZUZLBSA-N 332.440 4.158 0 1 EIAF C1=CCOCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)COC1 299815048 RADMAAOUVWABJD-UHFFFAOYSA-N 349.390 4.083 0 1 EIAF Cc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2c(C)n1 587005558 ZYTKTGZVYZCMSH-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 587122740 DCOVFDXXDPSLFG-ZYHUDNBSSA-N 349.360 4.351 0 1 EIAF C[C@]1(c2ccc(F)cc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587503052 KMQFANJDVPENHO-HXUWFJFHSA-N 325.383 4.167 0 1 EIAF O=C1C[C@@]2(CCc3cc(O)ccc3C2)Oc2c1ccc1c2CCCC1 587531842 ICPPYCYDNSHPSK-QFIPXVFZSA-N 334.415 4.164 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2C1CC1 587604442 TXKJMGKYEGLFKF-XERREHJYSA-N 336.387 4.303 0 1 EIAF COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 587628853 AUHYSUWOZOYDMK-UHFFFAOYSA-N 349.720 4.122 0 1 EIAF Clc1cc2nc(COC/C=C\c3ccccc3)[nH]c2nc1Cl 587780440 AJJHRPSQOBRBLP-DAXSKMNVSA-N 334.206 4.495 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC 587927337 SRWHFHCBKQQDAJ-SECBINFHSA-N 349.793 4.114 0 1 EIAF CCCCCn1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)n1 963094612 CJGDQBPPSXACMP-OXJNMPFZSA-N 327.447 4.322 0 1 EIAF Cc1nccn1-c1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963110363 QXDCBDXCUDVVJY-IFMALSPDSA-N 347.437 4.430 0 1 EIAF O=S1(=O)C=Cc2ccc(Nc3ccc(Cl)c(Cl)c3)cc21 1176542825 OWPVSKXKJNPDFZ-UHFFFAOYSA-N 326.204 4.495 0 1 EIAF COc1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cc1 61907118 CFRYGIYMZOKDPV-SFHVURJKSA-N 347.386 4.353 0 3 EIAF CCc1ccc(-c2cn(-c3ccc(Br)cc3)c(=O)[nH]2)cc1 2466174 LSAIUVGGZFCVIR-UHFFFAOYSA-N 343.224 4.158 0 1 EIAF O[C@@]12CC[C@@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 5847220 GTAUFWQVNOOSHQ-PFDCGNQRSA-N 348.442 4.301 0 1 EIAF Cc1ccc(C(=O)O[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684952 VDEDWPDDQONWTN-GOSISDBHSA-N 331.843 4.498 0 1 EIAF CC[C@]1(C)CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1C 13778374 JZZWLDBKEAHJDU-QGZVFWFLSA-N 338.373 4.108 0 1 EIAF c1cc(-c2ccc3c(c2)OCO3)ccc1OCCCN1CCCCC1 72179460 SJTLVMWWYORGEH-UHFFFAOYSA-N 339.435 4.337 0 1 EIAF Cn1cc(-c2ccc(CN3CCSc4ccccc43)c(F)c2)cn1 95597882 WKPOXPGXSHOAFD-UHFFFAOYSA-N 339.439 4.339 0 1 EIAF COc1cc(OCc2ccccc2)ccc1-c1nc2cc[nH]cc-2n1 100965035 RJPVIJKTKYXERL-UHFFFAOYSA-N 331.375 4.164 0 1 EIAF O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(O)c2)on1 205876892 DQTJLCUHZRWDNK-UHFFFAOYSA-N 332.718 4.092 0 1 EIAF Cc1cc(NCc2cccc(Cl)c2C)c2cccc(C(N)=O)c2n1 473092267 RZPSSAZUOYMZPI-UHFFFAOYSA-N 339.826 4.216 0 1 EIAF Cc1c(F)ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586985075 YIKBTKDYLURTRL-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF Cc1cc(Cl)cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587166551 DLVGABFKTUJYEN-SREVYHEPSA-N 329.762 4.316 0 1 EIAF Cc1c2c(nc3cc(Br)ccc13)-c1c(N)cccc1C2 587208126 LRAORWBFBIBDLU-UHFFFAOYSA-N 325.209 4.459 0 1 EIAF COc1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587223481 BZEDQQYPVXCYMT-OAHLLOKOSA-N 345.443 4.328 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)cccc1OC)[C@@H](C2)C3=O 587423683 VJTQTRBROALTKR-BUXKBTBVSA-N 344.794 4.020 0 1 EIAF CC(C)N1CCC([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587515604 VQXVEIUDUCEHDC-HXUWFJFHSA-N 327.468 4.020 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccncc1 587623749 OIFICJANWLAHAF-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF Cc1cc2c(cc1F)[C@@](c1ccc[nH]1)(C(Cl)(Cl)Cl)NCC2 962093643 QSKYKZCHTOFQCS-CQSZACIVSA-N 347.648 4.222 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc2c(cnn2C)c1 963227413 JGLDMRXNYCIVSC-ZHRRBRCNSA-N 333.479 4.493 0 1 EIAF COc1ccc(-c2cc(N)cc3nc(-c4ccco4)oc23)cc1OC 1857650856 XOFSLVNXQVIBPR-UHFFFAOYSA-N 336.347 4.354 0 1 EIAF COc1cc([C@H](O)c2nc(-c3ccccc3C)cs2)ccc1F 61908488 YZZDHBMCELKNHR-KRWDZBQOSA-N 329.396 4.348 0 3 EIAF O=C1COCc2cc(-c3cc4ccccc4o3)ccc2N1CC1CC1 74374893 UFMODGMQKCWZLU-UHFFFAOYSA-N 333.387 4.373 0 3 EIAF Cc1ccc(O)c(C2=C[C@H](c3cccc(Cl)c3)SC(N)=N2)c1 6522311 NXGOEMTUVIHSQX-MRXNPFEDSA-N 330.840 4.498 0 1 EIAF CS[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26738696 QIDBPLLCKHZLMY-RLGUWMIQSA-N 327.449 4.500 0 1 EIAF CCN(CC)CCOc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 35906376 IZCFYFTZCBGMLV-UHFFFAOYSA-N 342.270 4.208 0 1 EIAF CC(C)(C)c1ccc(-c2cc3c(ccc4nc(N)nc(N)c43)[nH]2)cc1 45167649 CRFQJCOJGFYCDM-UHFFFAOYSA-N 331.423 4.240 0 1 EIAF C[C@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21CCCO1 169310456 OHOUPBLLXCZHSW-RXCZXEIFSA-N 331.500 4.057 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1cccc(OC)c1 299845069 IQFCWDUVQCSBGP-DYQZNNLLSA-N 334.415 4.395 0 1 EIAF N[C@@H](N=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894708 RLSSKWLVRYIJPM-IBGZPJMESA-N 346.475 4.332 0 1 EIAF COc1cncc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980595 YIJUNLIJOWCLAL-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF C/C(=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CC1 586986847 FQCRBKUSOGKYPE-ZRDIBKRKSA-N 342.398 4.265 0 1 EIAF Clc1c(-c2nc3ccnc(Cl)c3[nH]2)ccnc1Br 587005206 CGZWIKIWLHHQDP-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Fc1c(F)c(-c2nc3ccnc(Cl)c3[nH]2)c(F)c(F)c1S 587134922 RCTUPDHMUQJOBA-UHFFFAOYSA-N 333.697 4.123 0 1 EIAF O=C(O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175519 VGZSXCKNJVVNTQ-UHFFFAOYSA-N 329.718 4.202 0 1 EIAF Cc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377605 NWBGIIJBSRHZPH-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C=O)c1)(C1CCCC1)O2 587406832 VXWSUNABIIGLQF-QFIPXVFZSA-N 349.430 4.441 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)n[nH]1)CC2=O 587487963 WVGVESNUUFXWSD-INIZCTEOSA-N 328.412 4.072 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1csc(C3CC3)n1)CC2=O 587498145 YYZJZGGBWAXLMC-INIZCTEOSA-N 329.421 4.385 0 1 EIAF Cn1nc(C(C)(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515627 MSNDCSQNDFCVGA-GOSISDBHSA-N 338.451 4.303 0 1 EIAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603461 OTTWDRKSAZUFNP-GHTZIAJQSA-N 332.355 4.404 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@](C)(c1ccccc1)O2 685935590 VVRRONQTBZDWOB-NRFANRHFSA-N 338.403 4.487 0 1 EIAF biogenic,in-vitro C[C@]1(c2ccc(O)cc2F)NCCc2c(Cl)cc(Cl)cc21 963106737 LDHFYGOEAADADL-MRXNPFEDSA-N 326.198 4.247 0 1 EIAF CCN(CC)c1ccc(NC(=O)c2c(-c3ccoc3)noc2C)cc1 1857568618 LBUKWMHLAKGVGA-UHFFFAOYSA-N 339.395 4.342 0 1 EIAF C[C@H](Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1 1857571354 AHTPVTIKZGWRFS-AWEZNQCLSA-N 327.391 4.260 0 1 EIAF N=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc3ncccc3n2)s1 1857760206 XXEBQUIWXFTDNN-UHFFFAOYSA-N 338.823 4.486 0 1 EIAF COc1cc2c(cc1O)C[C@H](C)[C@H](C)[C@H]2c1ccc(OC)c(OC)c1 2356594306 PLNZSVOTOMAFQW-BYVOGVQKSA-N 342.435 4.378 0 1 EIAF CCCNC(=O)[C@@]1(C)CCCN(Cc2csc3ccccc23)C1 61905269 AVLKVNYARIJXPX-IBGZPJMESA-N 330.497 4.030 0 3 EIAF COC(=O)c1ccccc1OCc1csc(-c2ccc(C)cc2)n1 7096641 IFPNETOHZMSRIV-UHFFFAOYSA-N 339.416 4.484 0 1 EIAF biogenic C[C@@H]1COc2c(O)c3c(c(O)c21)C(=O)C[C@H]1C(C)(C)CCC[C@]31C 14514570 AFKBIJLWRQCMOW-FQKDVGPYSA-N 330.424 4.264 0 1 EIAF biogenic O=C(NCc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1 28564965 CNVFENCTUFMYBP-UHFFFAOYSA-N 333.416 4.221 0 1 EIAF COc1cc2nccc(Oc3ccc(F)cc3C(C)=O)c2cc1OC 40976659 INQMAKLMVKJFKH-UHFFFAOYSA-N 341.338 4.386 0 1 EIAF COc1ccc(C(=O)N(C)c2cccc(-c3ccc(CO)cc3)c2)cc1 66103837 GOCFCOKYZDSUCI-UHFFFAOYSA-N 347.414 4.131 0 1 EIAF CCOc1ccc(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)cn1 72176347 QNFNNVQKMNFIAM-UHFFFAOYSA-N 349.415 4.112 0 1 EIAF O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(F)cc1F 82158432 AMVBNHDFNRVPQA-UHFFFAOYSA-N 349.340 4.259 0 1 EIAF CCOC(=O)[C@]12C[C@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O 101406335 DVSDTEGCUCSBLW-RBUKOAKNSA-N 347.842 4.063 0 1 EIAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3Cl)oc2c1 168937722 AVOXCXYJRMKHIM-SNVBAGLBSA-N 339.782 4.008 0 1 EIAF CCc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1CC 586878182 ADKHYYVKNDXHIE-UHFFFAOYSA-N 349.478 4.187 0 1 EIAF OCc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 586895482 JEBLJQDVJCZTPX-UHFFFAOYSA-N 330.387 4.301 0 1 EIAF CC(C)c1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(O)c(C(C)C)c1 586896555 NYUSJXDAFNCDKI-UHFFFAOYSA-N 337.423 4.281 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(Br)cc(C)c3[nH]2)s1 587013187 YNZACQGEQCHYGR-UHFFFAOYSA-N 336.258 4.298 0 1 EIAF Clc1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1Cl 587036533 FELMJIQFMPPMGC-VIFPVBQESA-N 340.235 4.183 0 1 EIAF O=C(CCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1 587163648 SZMWAUWDWXSTMM-UHFFFAOYSA-N 338.169 4.219 0 1 EIAF Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1-c1ccc(F)cc1 587212356 GSVICBYGKHEJNA-UHFFFAOYSA-N 330.366 4.029 0 1 EIAF O=C(/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccccc1 587245377 WVMGZNJQMZLURD-KTKRTIGZSA-N 331.297 4.234 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c4ccccc14)[C@@H](C2)C3=O 587451223 QLXDPASZYHUFDC-HRAATJIYSA-N 332.355 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(N)ccc31)CC2=O 587473382 SXVXARDVBFFJJA-OAQYLSRUSA-N 337.419 4.124 0 1 EIAF Cc1c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cnn1C 587629494 SIIXJFOSXXGZJH-UHFFFAOYSA-N 341.720 4.117 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)nc(Cl)c1C 587870556 CQNQSXNUTYOFCF-UHFFFAOYSA-N 346.793 4.137 0 1 EIAF COc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875776 IRMLNASQAMORTR-UHFFFAOYSA-N 341.367 4.049 0 1 EIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Cl)c(F)c(F)c4[nH]1)(C3)C2 587969322 MARDYIWBQHAYME-MXDWJEAXSA-N 336.769 4.141 0 1 EIAF COc1cc(OC)cc(-c2nnc(Nc3ccc(C)cc3)s2)c1 653741284 YKVKBIOCNVSFJV-UHFFFAOYSA-N 327.409 4.274 0 1 EIAF Fc1c(Cl)ccc(Cl)c1[C@@H]1NCCc2nc3ccccn3c21 962982619 IXNRKEDETHCTCY-HNNXBMFYSA-N 336.197 4.015 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cnn(-c2ccncc2)c1 963242478 QDIIKSDZKXIUSU-IERDGZPVSA-N 332.451 4.013 0 1 EIAF O=C(Cc1cc(Cl)ccc1O)Nc1cc(F)cc(C(F)(F)F)c1 1857619968 PRJLOJKKDKDMHS-UHFFFAOYSA-N 347.695 4.385 0 1 EIAF Cc1ccc(-c2ccc3nsc(N4C[C@H](C)O[C@H](C)C4)c3n2)cc1 1911586331 SGHFYEOAYURZAO-OKILXGFUSA-N 339.464 4.280 0 1 EIAF CCCc1cc(OC)c(O)c([C@@H](C)Cc2ccc3c(c2)OCO3)c1 2356341982 CCDWCXQYAILFKD-ZDUSSCGKSA-N 328.408 4.428 0 1 EIAF COc1ccc2nc3sc(C(=O)N4CCCC[C@@H]4C)cc3cc2c1 428357 DUMWSPBVUZKOFK-LBPRGKRZSA-N 340.448 4.473 0 1 EIAF COc1c(C(=O)c2ccc3c(c2)OCO3)oc2c1ccc1occc12 13436881 OWIYWIPWFKXOFC-UHFFFAOYSA-N 336.299 4.147 0 1 EIAF biogenic CN(C)C[C@H]1C[C@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 13437257 YDCWINJIBUMKOY-KUHUBIRLSA-N 328.843 4.057 0 1 EIAF NC(=O)c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1 13588158 LVPZCKVPABYHPB-UHFFFAOYSA-N 346.415 4.201 0 1 EIAF C[C@]1(CCCCC(=O)Nc2ccccc2N)Cc2ccccc2C1=O 28824221 INPBMLHSXDVHBD-NRFANRHFSA-N 336.435 4.213 0 1 EIAF CCCCN1CCC[C@H](COc2nc3ccsc3n3cccc23)C1 40395762 UXBYFLNJNINAMU-HNNXBMFYSA-N 343.496 4.440 0 1 EIAF C[C@@H](Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(F)cc1 63539585 IXMXIYMXYNPPHI-CYBMUJFWSA-N 333.370 4.128 0 1 EIAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@H]3CC[C@@]21C 73351226 QULFQPVZXZYVKS-NGQZPJGOSA-N 343.467 4.493 0 1 EIAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@H](F)c3ccncc3)c2c1 82152165 KPCVLACNFAKGBK-QGZVFWFLSA-N 336.370 4.190 0 1 EIAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31)CC(=O)O 85842350 CBXZFVHQVNZBFP-KIJMYCCXSA-N 334.456 4.193 0 1 EIAF Cn1c(SCc2ccc(F)cc2)nc2c3ccccc3nc-2c1O 100705180 JFCYTHGYBRCFGP-UHFFFAOYSA-N 339.395 4.210 0 1 EIAF CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 101007438 KZQZXGOXGSLNTB-UAPYVXQJSA-N 340.511 4.255 0 1 EIAF CC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)[C@@H]1c1ccccc1 101778612 VPYHAOJKKWYIJU-SFHVURJKSA-N 343.373 4.473 0 1 EIAF O=C(Nc1ccc(F)c(CNc2ccc(Cl)cn2)c1)c1ccco1 103259422 SRVDQXKCHCJTOB-UHFFFAOYSA-N 345.761 4.332 0 1 EIAF C/C=C/C=C\C=C(/C=O)[C@H](OCc1c(O)cccc1CCC)C(C)=O 169352297 PKFDPDJJEWMKLV-LXNFOBGESA-N 342.435 4.077 0 1 EIAF CC(=O)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208801 ZUKALSPWFNAZTB-CYBMUJFWSA-N 327.383 4.455 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2ccc3ncccc3c2[nH]1 587229233 SNCSMBSRZYYADJ-UHFFFAOYSA-N 346.434 4.473 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(N)cc21 587391130 SHBYZYPEXYTNGZ-JOCHJYFZSA-N 342.398 4.049 0 1 EIAF Cc1ccc([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587394032 PQPMASLNHZSNIH-QFIPXVFZSA-N 344.414 4.190 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3cc(O)ccc3c1)O2 587403347 GZDNPQJQNBXMBJ-OAQYLSRUSA-N 333.387 4.317 0 1 EIAF CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(CC)c1O 587404180 OUDXLZGJXFKUBB-SFHVURJKSA-N 325.408 4.114 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421601 UXXIKTAGMXIXPO-SUMWQHHRSA-N 335.186 4.491 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)(C)C)cc1)[C@@H](C2)C3=O 587442812 YQQWIOKAMAFNTC-OXJNMPFZSA-N 338.403 4.361 0 1 EIAF O=C1C[C@@H](c2ccnc(Cl)c2F)Oc2c1ccc1c2CCCC1 587506266 RINWHDUOLJBHEC-HNNXBMFYSA-N 331.774 4.459 0 1 EIAF COc1cc(C)ccc1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 587563647 GXCOADYLHFQLFS-UHFFFAOYSA-N 336.313 4.478 0 1 EIAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603463 OTTWDRKSAZUFNP-NQIIRXRSSA-N 332.355 4.404 0 1 EIAF Cc1ccoc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614585 CXGRMUQHRPNNKF-OXJNMPFZSA-N 336.343 4.171 0 1 EIAF O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 587637848 PHFSQJAFLDHBHE-UHFFFAOYSA-N 341.338 4.080 0 1 EIAF O=S1(=O)C=Cc2cccc(Nc3ccc(OC(F)(F)F)cc3)c21 1772653278 QWRBSWGUYJUBQA-UHFFFAOYSA-N 341.310 4.087 0 1 EIAF FC(F)(F)C1(Nc2nc(-c3ccncc3)cc3cnccc23)CC1 1857550365 WNBNLESOAUCHBN-UHFFFAOYSA-N 330.313 4.199 0 1 EIAF COc1ccc2c(c1)CCN(CC[C@@H](F)Cc1ccccc1)CC2 1857557855 UORHUEYQEKFSIE-HXUWFJFHSA-N 327.443 4.067 0 1 EIAF Cc1nnc2n1-c1sc(C(C)C)c(Cc3ccccc3)c1COC2 1857587251 UXBHDSSLUXMPFX-UHFFFAOYSA-N 339.464 4.382 0 1 EIAF O=C(/C=C/c1ccccc1)Nc1nnc([C@H]2CCCc3ccccc32)o1 1857593305 XUVPWGKWEVOPNJ-JKGDOXCYSA-N 345.402 4.190 0 1 EIAF Fc1ccccc1Cn1nncc1COc1ccc2ccccc2c1 1857647911 RLJAUWBWNLHZJU-UHFFFAOYSA-N 333.366 4.198 0 1 EIAF CO[C@@H]1CCC(=O)[C@H](C)[C@]12CCC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H](O)CC[C@@]21C 263591002 XWOZYZGXGDQFHL-LESXXKHGSA-N 348.527 4.364 0 3 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26400894 SDLIPEORADMQOU-XUDSTZEESA-N 326.436 4.002 0 1 EIAF O=C1OCC(c2ccc(F)cc2)=C1c1ccc(Br)cc1 299838802 RDZBTORJMNBSPX-UHFFFAOYSA-N 333.156 4.056 0 1 EIAF Brc1cncc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586886995 RLDMGSMPCFWVHJ-SJCJKPOMSA-N 340.224 4.092 0 1 EIAF CCOCc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)o1 586902872 HORTWPPNDFHOGG-UHFFFAOYSA-N 339.164 4.261 0 1 EIAF CCCC(Br)(CCC)c1nc2c(Cl)ncnc2[nH]1 586971816 YDEUUOYKURLHTI-UHFFFAOYSA-N 331.645 4.197 0 1 EIAF Fc1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092245 TYAAXJQXRWVBJV-UHFFFAOYSA-N 327.306 4.418 0 1 EIAF Cc1ccc2c3c(cc(-c4cnn(C)c4C)nc13)-c1ccccc1C2=O 587097694 PDYBYMSJEFQJHS-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF CN1CCC(c2cnc3cccc4c3c2-c2ccccc2C4=O)CC1 587104344 GMKOIWBBOUHGEF-UHFFFAOYSA-N 328.415 4.255 0 1 EIAF Cc1ccnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 587157733 BUNVHOMIFMRQJS-UHFFFAOYSA-N 343.365 4.411 0 1 EIAF Fc1cc2c(c(Cc3nc4ccc5c(c4[nH]3)CCCC5)c1)OCOC2 587171212 JJCXXIPPKYLDBC-UHFFFAOYSA-N 338.382 4.038 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1Nc1ccccc1)O2 587389244 JNHFXWJZDWUHAE-PZJWPPBQSA-N 336.435 4.336 0 1 EIAF COc1ccc([C@@H](C)[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441857 JDXIBEQFCYZWJA-LAECCNGNSA-N 338.403 4.014 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)cc31)CC2=O 587477005 HCJYUDVLMWPVLB-NRFANRHFSA-N 338.403 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc(OCC)c1)CC2=O 587480727 PATLOAOXESUEHC-LJQANCHMSA-N 342.391 4.156 0 1 EIAF CCO[C@H](C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516843 FJRZRUPTWDSDAK-YJYMSZOUSA-N 340.423 4.023 0 1 EIAF C(=C\c1nc2cnncc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784617 SKOPZILLRCSYPX-FLIBITNWSA-N 328.375 4.102 0 1 EIAF CC(C)[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818509 DZAQKDMJKWTZRA-XAGWURHQSA-N 326.253 4.384 0 1 EIAF COc1cccc2cc3c(nc12)[C@@](C)(c1csc(Cl)c1)NCC3 963057158 MBYBLPMZLHKZLM-GOSISDBHSA-N 344.867 4.368 0 1 EIAF C[C@@H](c1ccccc1)[N@]1O[C@]12CC[C@@]1(C)[C@@H](CCCC13OCCO3)C2 1857626462 XENZARRASDXGFQ-OYJIISJGSA-N 343.467 4.425 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@@]34CC[C@@H]5CCCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@@]21O 2356372892 OJVFKZLWBVUBSM-CJLCJZSBSA-N 332.484 4.211 0 1 EIAF CC(=CCC(=O)O)CCCC(C)=CCc1cc(C(=O)O)ccc1O 2356424094 JJTONVAWZIGUCY-UHFFFAOYSA-N 332.396 4.171 0 1 EIAF C=Cc1c(O)c(OC)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356679996 OTPSUPTYLZWNMH-MLCYQJTMSA-N 326.348 4.010 0 1 EIAF COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1 17391 UHSUYVQDJJMDAA-UHFFFAOYSA-N 342.402 4.368 0 1 EIAF O[C@@](c1ccccc1)(c1cncnc1)c1ccc(Cl)c(Cl)c1 28769609 NIHUFSCGSUFGST-QGZVFWFLSA-N 331.202 4.068 0 1 EIAF CC(C)N1C(S)=N[C@@H](c2ccccc2)c2cc3c(cc21)OCO3 39290303 FKWVWOPYMNGCCN-KRWDZBQOSA-N 326.421 4.019 0 1 EIAF Oc1ccc(CNCc2ccccc2C(F)(F)F)c2cccnc12 40917066 PXLBTRNMMOQKKW-UHFFFAOYSA-N 332.325 4.249 0 1 EIAF COc1ccc2oc3c(O)nc(-c4ccccc4Cl)nc3c2c1 84711175 FVBZRBVWVRMHGP-UHFFFAOYSA-N 326.739 4.411 0 1 EIAF CN(C)C1CN([C@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 95856779 UOUTZBHEYACYMU-IBGZPJMESA-N 344.911 4.281 0 1 EIAF O=C(/C=C/C=C/CC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 263637042 KAYVDASZRFLFRZ-XRPSMPKOSA-N 339.435 4.334 0 1 EIAF O=C1O[C@@H](c2cccnc2)CC(O)=C1Sc1ccccc1Cl 299837947 PSKZDQZBRLTJHI-CYBMUJFWSA-N 333.796 4.285 0 1 EIAF Clc1cc(Cl)c(Br)c(-c2nc3ncc[nH]c-3n2)c1 586974511 DKHOEEGIQQUGFK-UHFFFAOYSA-N 343.999 4.041 0 1 EIAF Cc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587076193 LBVAJYJIWRCQKR-INIZCTEOSA-N 329.762 4.281 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587195364 IJJPCRUUWNTUHR-SNVBAGLBSA-N 334.345 4.195 0 1 EIAF O=C(O)CCc1c(-c2cc(F)cc(F)c2)nc2cccc3c2c1CC3 587214428 ZWQGHWHBMBXQOK-UHFFFAOYSA-N 339.341 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1)O2 587370705 HLULHOBGQFQPFG-HNNXBMFYSA-N 332.197 4.046 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1Cc1ccccc1)[C@@H](C2)C3=O 587448174 ZVKGCPZIVWVFTN-SGXKBVARSA-N 334.415 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1n[nH]c3ccccc13)CC2=O 587480651 FMTUYNMZAMDRPY-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF O=C1C[C@@H](c2ccc(OC(F)F)nc2)Oc2c1ccc1c2CCCC1 587503288 GGMUYRPICMEFGS-INIZCTEOSA-N 345.345 4.268 0 1 EIAF CCOc1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527222 WWCDNYVJUQPEJZ-FQEVSTJZSA-N 338.403 4.376 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]ccc1Cl 587546179 IXHUQTRGFXUKKG-KDOFPFPSSA-N 341.750 4.077 0 1 EIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587931799 TUBCXCQVXIBBFZ-XIKOKIGWSA-N 327.815 4.374 0 1 EIAF COc1ccc(C2(c3nc4cc(F)cnc4[nH]3)CC3(CCC3)C2)cc1 587935554 NMOLNDSYVAXDAU-UHFFFAOYSA-N 337.398 4.356 0 1 EIAF Cc1cc(O)cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962703740 NQEURABULHWSQA-QRWLVFNGSA-N 343.467 4.293 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1ccccc1)C(=O)O 963232069 CJFLIZGGUWBTRE-JTSKRJEESA-N 337.463 4.256 0 1 EIAF COc1sccc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1 1772599745 FQBDJTKVKSKZJQ-UHFFFAOYSA-N 344.480 4.470 0 1 EIAF COc1cc(C=CC(=O)O[C@@H]2C[C@@]3(C)CC[C@H]2C3(C)C)ccc1O 2356651158 DDKIZPUZACBOPC-WIBUTAKZSA-N 330.424 4.172 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CCc3ccoc3)[C@H](CO)CC[C@@H]12 2356729886 PTORJJANMCYDLB-QOLKULSZSA-N 348.483 4.216 0 1 EIAF Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCCC3)sc21 5025855 MTNLADMYSSGRBV-UHFFFAOYSA-N 345.855 4.191 0 3 EIAF CO[C@H]1Cc2ccccc2C2(CCN(C/C=C/c3ccccc3)CC2)O1 13472045 DEDXYKDBSVMVDB-HWWNHIDJSA-N 349.474 4.236 0 1 EIAF O=C1CCC(CNC(=O)c2cccc(Cl)c2)(c2ccccc2)CC1 13488532 WTZGUTZHSCGYPK-UHFFFAOYSA-N 341.838 4.151 0 1 EIAF C[C@@H]1[C@H](O)C[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 15162731 CFGGKJQJJRBWIG-AEDWNXJWSA-N 332.440 4.047 0 1 EIAF biogenic COc1ccc([C@H]2COc3cc(O)ccc3C2)c2c1C=CC(C)(C)O2 15251842 MPNLCWDBGXOCFP-CQSZACIVSA-N 338.403 4.304 0 1 EIAF biogenic,in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 26939039 LBZSRDGYAIZTDL-MOPGFXCFSA-N 343.854 4.119 0 1 EIAF C[C@@H]1SCN(CCCCNc2ccnc3cc(Cl)ccc23)C1=O 35091194 GMTKIVZMKLOISX-LBPRGKRZSA-N 349.887 4.002 0 1 EIAF COc1ccc(C2=C(c3cccs3)C(=O)N3CCC[C@H]3C2)cc1 40938028 TYWQKANTBRKAEZ-AWEZNQCLSA-N 325.433 4.062 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccccc3CC[C@H]21 100620697 KKVWUXHOSMQRCN-TZIWHRDSSA-N 330.431 4.280 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24O3 253640252 JTVHQWNUCRXUJU-KHUABEEFSA-N 336.472 4.414 0 1 EIAF Nc1ccc(F)c(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587141170 MVWGZQSCBMUGQV-UHFFFAOYSA-N 345.377 4.106 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncc1)(c1ccccc1)O2 587395327 PTZKYRGSYZIZHK-QFIPXVFZSA-N 344.414 4.076 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCSc3ccccc31)O2 587415809 YFDHFJARNZHBDS-IBGZPJMESA-N 325.433 4.324 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1O)CC2=O 587459161 GHFWPRKQOMARKS-INIZCTEOSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(O)c3ccccc13)CC2=O 587492853 XXKOGKRBPSTWBY-LJQANCHMSA-N 349.386 4.305 0 1 EIAF Cc1cc(C)nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585451 DHWAAHNYMBOXCY-NQIIRXRSSA-N 347.370 4.107 0 1 EIAF C[C@@H]1CCC[C@@H](NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)[C@@H]1C 587875373 DLQSKHQITITYDD-JTNHKYCSSA-N 345.443 4.342 0 1 EIAF N=C(N)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587960491 CYGUPTUBNWZUBT-UHFFFAOYSA-N 326.403 4.105 0 1 EIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](C2CCCCCC2)N1 962981543 VEAOIVJSIGJDNI-BBRMVZONSA-N 343.801 4.229 0 1 EIAF CC1(C)COC(CCC[C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)OC1 963112141 WQNFDVRKHKDAIE-FUHWJXTLSA-N 347.474 4.457 0 1 EIAF COc1ccc([C@H](c2ccccc2)[S@](=O)Cc2cncs2)cc1 1857605368 ZIRUMFOISHAJDS-FDDCHVKYSA-N 343.473 4.190 0 1 EIAF CC(C)=CCC[C@H](C)[C@@H]1C2=C(C(=O)OC2)[C@@H]2C[C@@H]2C[C@@H](C)C[C@H]1O 2356375367 ARPBFHZIOKVIPZ-BNIPCRSQSA-N 332.484 4.265 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 2356489265 QSXNOUPYXMWUKT-KBVRGVHISA-N 332.440 4.108 0 1 EIAF Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 263590874 WQYXCPUGQWEXMJ-BVRUVYRISA-N 328.456 4.195 0 3 EIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 13111118 KCXUMZXWLRGXME-YNGMDASDSA-N 348.483 4.256 0 1 EIAF COc1cc2c(cc1OC)-c1n[nH]c(Nc3ccc(Cl)cc3)c1C2 13677828 XRRBNRLNVPJQKM-UHFFFAOYSA-N 341.798 4.395 0 1 EIAF Oc1c2cnc3ccccc3c2nn1-c1ccc(Br)cc1 13803725 KVQNWGDWJITRQV-UHFFFAOYSA-N 340.180 4.042 0 1 EIAF COc1cc(Nc2noc(-c3ccccc3)n2)ccc1-c1cnco1 13860204 ZMSUGHXUIUMWET-UHFFFAOYSA-N 334.335 4.144 0 1 EIAF CC(C)CCn1c(Cn2c(=O)oc3ccccc32)nc2ccccc21 28824371 ADEQDELASUPCHS-UHFFFAOYSA-N 335.407 4.039 0 1 EIAF C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@@H]3CC[C@@]21CC 44963061 ISHXLNHNDMZNMC-UWDBAFJBSA-N 327.468 4.144 0 1 EIAF world O=C(c1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64540017 TZFQAMTZBYHQFY-MOPGFXCFSA-N 341.838 4.163 0 1 EIAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@H]32)cc1 98084644 GLTUZRFWHMGGER-MJGOQNOKSA-N 337.810 4.178 0 1 EIAF C[C@@]12Cc3cn[nH]c3C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 100299208 LKAJKIOFIWVMDJ-GBWKNCTISA-N 328.500 4.118 0 1 EIAF world CCOC[C@@H]1C(=S)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 102808793 SJKQWHHUTCXHMA-HNNXBMFYSA-N 349.521 4.170 0 1 EIAF Cc1ccc2c(c1)c1c(n2CCCNCc2cccnc2)CCCC1 103298742 HUWQFFUURRGXOQ-UHFFFAOYSA-N 333.479 4.403 0 1 EIAF CC[C@@H](C)C(=O)c1c(O)cc(O)c2c(-c3ccccc3)cc(=O)oc12 137596614 IFHYIQSUBZXSBP-LLVKDONJSA-N 338.359 4.100 0 1 EIAF Fc1cccc(-c2c(Cl)cnc3[nH]c([C@@H]4CCCNC4)cc23)c1 226065038 YQEIUGMWSSGWAY-GFCCVEGCSA-N 329.806 4.489 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C 523042011 JIUYRYQJXGQPHK-FXZWHMERSA-N 332.440 4.396 0 1 EIAF biogenic COc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1OC 587036857 OLBDZKOKQDLEHH-OAHLLOKOSA-N 332.450 4.020 0 1 EIAF Nc1ccnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587063125 PRKWWGQQXSTVGW-UHFFFAOYSA-N 334.810 4.451 0 1 EIAF CCOc1cc(/C=C/c2nc3cc(F)cnc3[nH]2)ccc1OC(F)F 587129169 CSHFPJBGHNCNGY-GQCTYLIASA-N 349.312 4.268 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587134653 TTZWLMDIJALKGX-UHFFFAOYSA-N 343.102 4.115 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3cc(F)cc(F)c3[nH]2)c(N)cc1F 587136212 LGVYNGRZFDZUKU-UHFFFAOYSA-N 335.329 4.407 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587162173 TYQLQNRHTKZZNG-HOTGVXAUSA-N 338.382 4.079 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)O2 587381996 JVIPYAJKEAPTEW-OAHLLOKOSA-N 337.297 4.182 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1coc(-c4ccc(C)cc4)n1)[C@@H](C2)C3=O 587437014 VKYXPARTZBPYHW-YWZLYKJASA-N 347.370 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc(F)c1F)CC2=O 587465985 INJKHRWKQIJLPI-HNNXBMFYSA-N 334.318 4.035 0 1 EIAF CCC1(CC)[C@@H](OC)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522626 JNSHQXLTOHMILH-RXVVDRJESA-N 328.452 4.495 0 1 EIAF COc1ccc(C[C@H](C)c2nc3cc(F)cc(F)c3[nH]2)cc1OC 587925176 CCHHDJXZMISKNA-JTQLQIEISA-N 332.350 4.205 0 1 EIAF CC1=CCC[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962956771 LMWHQIKFWWQTPE-GOSISDBHSA-N 337.385 4.292 0 1 EIAF CC(C)C(C(C)C)[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977977 PYDMTUNYSRKUJJ-MLGOLLRUSA-N 345.817 4.186 0 1 EIAF COC(=O)c1cn(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)nn1 1857766999 SDXBUYRGPZYTLQ-BSTPEVQJSA-N 331.460 4.484 0 1 EIAF Cc1cc2nc(CO[C@H]3CN(C4CCCCC4)C[C@@H]3F)[nH]c2cc1C 2356302061 LFBLJAYSWQPIIL-LPHOPBHVSA-N 345.462 4.051 0 1 EIAF Cc1ccccc1NC(=O)Nc1nc([C@H](N)c2ccccc2)cs1 61926086 YMMFQEMRZYRZAO-MRXNPFEDSA-N 338.436 4.144 0 3 EIAF Cc1ccc(S(=O)(=O)N2CC[C@H]3C[C@H]2c2cc(Cl)ccc23)cc1 254071326 TXCOOSKZAPCSMJ-UGSOOPFHSA-N 347.867 4.271 0 3 EIAF CN(c1ccc(/C=C/c2ccccc2)cc1)[P@@]1(=O)NCCCO1 3590999 SFQWNRRXORXBRQ-UPWIVDSGSA-N 328.352 4.411 0 1 EIAF CN1CCC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@@]21C 6482910 AYIZBBPMNRJANA-ILRNBGBRSA-N 329.488 4.026 0 1 EIAF CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O 14806882 HXGGEGJYNMWHAD-SFHVURJKSA-N 340.375 4.149 0 1 EIAF biogenic COc1c(O)cc(Cl)c(Nc2ccccc2CC(=O)O)c1Cl 26400691 CUFVCFMXCXJIET-UHFFFAOYSA-N 342.178 4.078 0 1 EIAF C[C@H]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccncc1 29557249 RJLWFRLLAXAHSU-CNNODRBYSA-N 338.495 4.361 0 1 EIAF O=c1c(SC(=S)N2CCCCC2)coc2ccc(Cl)cc12 42923570 SGLBJIBRMPDUKD-UHFFFAOYSA-N 339.869 4.309 0 1 EIAF CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 82186604 CTMRHXGBKXLKQT-ZDUSSCGKSA-N 329.492 4.283 0 1 EIAF COc1ccc([C@H](OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 100834351 AFWLTZMAQCSANY-WOIUINJBSA-N 337.463 4.426 0 1 EIAF Cc1nn2c(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nc2s1 473112494 FAIAKZLGWFNTNY-UHFFFAOYSA-N 331.404 4.310 0 1 EIAF O[C@@H](c1nc2cccc(Br)c2[nH]1)c1ccccc1Cl 584617317 WBKTYLNLRCXKJL-CYBMUJFWSA-N 337.604 4.061 0 1 EIAF CSc1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c1 586882299 MYUPLLLDNUOQSF-UHFFFAOYSA-N 338.432 4.213 0 1 EIAF Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986520 BRQXAXNVBRZYGS-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF CC(C)(C)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2n1 587072719 VLJKBWZWGSTXPL-UHFFFAOYSA-N 327.815 4.334 0 1 EIAF COc1cc(OC)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587087226 JNFQGBOYFJFFHF-UHFFFAOYSA-N 327.771 4.382 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587110317 ZACMPWOSYRMDDV-ZDUSSCGKSA-N 338.264 4.112 0 1 EIAF COC(=O)c1sccc1O[C@@H](C)c1cc2c3c(cccc3n1)CC2 587216721 KOEFQBYMIBLULS-NSHDSACASA-N 339.416 4.322 0 1 EIAF CSCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369731 OFOFUARJXUJJNR-HKUYNNGSSA-N 346.423 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(Cl)cccc14)[C@@H](C2)C3=O 587422602 QXQPCSFGCHVVFP-HXPMCKFVSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3)cc1)CC2=O 587469883 IBOATCXCXOTLQT-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCOc3ccccc31)CC2=O 587493733 VMTJCQZIFFDKLX-XOBRGWDASA-N 338.403 4.245 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccn1 587866232 XYAJDSHINWAFKC-UHFFFAOYSA-N 333.313 4.352 0 1 EIAF N=C(c1ccc2ccccc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587873185 DGZKHMRRSGXIOZ-UHFFFAOYSA-N 330.322 4.217 0 1 EIAF Cc1cnc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Br)c1 587873217 WCGIRBQTDXHVDN-UHFFFAOYSA-N 346.159 4.250 0 1 EIAF CC(C)(C)Cc1nsc2cc(N=c3[nH][nH]c4ncccc34)ccc12 1857607720 KQTOCADHGQZATM-UHFFFAOYSA-N 337.452 4.322 0 1 EIAF CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@H]2CC[C@@H]34)C1 2356597124 VFPYOBOSZJFCKD-ZHHZFAINSA-N 342.571 4.469 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 61925619 SCHJAXFXUBWOTH-MRXNPFEDSA-N 333.359 4.179 0 3 EIAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2cc(F)cc(F)c2)cs1 61928238 RYLRCDRLCVUXCB-QGZVFWFLSA-N 344.386 4.314 0 3 EIAF CSc1sc(C(=N)N)cc1-c1cccc(-c2ccccc2)n1 28771356 QJBLOXHRGXCQHF-UHFFFAOYSA-N 325.462 4.483 0 1 EIAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2 86034333 UIXVBRXEFVSERL-OSRJUQGESA-N 340.419 4.393 0 1 EIAF COc1ccc(-c2cnc(Nc3ccccc3C)c3[nH]nc(N)c23)cc1 115370823 QJWQELWGAZYDHK-UHFFFAOYSA-N 345.406 4.268 0 1 EIAF CC(C)(C)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 169352827 DJWGAJLZNNITMH-UHFFFAOYSA-N 326.348 4.049 0 1 EIAF CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 238750909 ZATVCCDJRSRELS-LNKGRISISA-N 332.440 4.113 0 1 EIAF CC(C)C(=O)c1c(O)cc2c3c1O[C@@]1(C)CC[C@@H]([C@H]3C1)C(C)(C)O2 473112319 COMRWAQJXJEENM-JGRMJRGVSA-N 330.424 4.437 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587423728 VQOVQZKFEYVFSR-ORAYPTAESA-N 344.794 4.020 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1C1CCCC1)CC2=O 587474589 GGAGRYUUPNNAKO-IBGZPJMESA-N 340.423 4.363 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(O)cc1)CC2=O 587486291 XHNDTMXEGAOMQF-OAHLLOKOSA-N 326.392 4.017 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)ccc(C)c1O)CC2=O 587491376 USDUCTFXKNQYRQ-KRWDZBQOSA-N 326.392 4.374 0 1 EIAF Cc1cc(C)c2c(N)c([C@@H](O)c3ccc(F)c(Cl)c3)sc2n1 1857606494 GSNUOLPDGSSMCI-AWEZNQCLSA-N 336.819 4.370 0 1 EIAF Cc1ccc2nc3c(c(NCCCN(C)C)c2c1)Cc1ccccc1-3 1857610592 JTPOQXHDPNYMSO-UHFFFAOYSA-N 331.463 4.478 0 1 EIAF C[C@@H]1CC[C@@]2(C)[C@@]3(CCC[C@@]2(C)O)c2c(O)ccc(O)c2C[C@@]13C 2356794189 KZOZFNNSDNJQOZ-DIQSIVMMSA-N 330.468 4.269 0 1 EIAF CC1=N[C@H](c2ccc(O)cc2Cl)[C@H](c2ccc(O)cc2Cl)N1 28012718 HCEPTCHLZDJMON-IYBDPMFKSA-N 337.206 4.209 0 1 EIAF COc1cc2nc(C(=O)c3ccccc3)cn2c2cc(C)c(C)cc12 28233766 ZEZCWFVWOCIMQE-UHFFFAOYSA-N 330.387 4.344 0 1 EIAF c1ccc(CN2CC[C@]3(C2)Oc2ccccc2[C@@H]3n2cccc2)cc1 29314222 OKRJBGPCTCAZPM-FCHUYYIVSA-N 330.431 4.115 0 1 EIAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1 45285945 VRCBONSLAHZZTQ-NRFANRHFSA-N 347.414 4.373 0 1 EIAF c1ccc(CN(CCc2c[nH]c3ccccc23)Cc2ccccn2)nc1 71411203 HNGCBEXEWLKDPE-UHFFFAOYSA-N 342.446 4.203 0 1 EIAF CN1CCC[C@H](n2ccc3ccc(NC(=N)c4ccco4)cc32)CC1 72142550 BFMVWHGFXHJEHN-KRWDZBQOSA-N 336.439 4.329 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)Oc2ccccc2)N3C)cc1 100647723 HIQHQNWJRSNELD-WLRLJWMZSA-N 335.447 4.167 0 1 EIAF CC(=O)O[C@H]1C[C@H](C)[C@@]2(CCCC(=O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 238742501 KIGLIKYNKWYLIT-ZGOAJZMSSA-N 336.472 4.256 0 1 EIAF C[C@H](CC(=O)O)n1c(Cc2ccc(Cl)cc2)nc2ccccc21 299832632 QFUWTHNQHKPANZ-GFCCVEGCSA-N 328.799 4.316 0 1 EIAF O=C1CS[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1O 299840039 VAIROUHVNFRIBI-HNNXBMFYSA-N 340.231 4.478 0 1 EIAF Nc1c[nH]c(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)c1 299872092 ZYGMPXAWKKBBPG-UHFFFAOYSA-N 336.326 4.245 0 1 EIAF Cc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1Br 308434653 KVFMQEJFKMMWFY-HNNXBMFYSA-N 345.196 4.146 0 1 EIAF O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1 473098416 FTZBYQIFOKIEAG-FGZHOGPDSA-N 335.491 4.372 0 1 EIAF CC(C)O[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991362 JNVQJHHFPQMQGL-MRXNPFEDSA-N 331.371 4.174 0 1 EIAF Fc1c(F)c(F)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1F 587034499 GUJFVSATZUZRMT-SSDOTTSWSA-N 342.317 4.037 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 587043577 SAMXMSYYAGQVQT-CQSZACIVSA-N 344.823 4.392 0 1 EIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 587069830 LHZCRRHDVDDINO-ZDUSSCGKSA-N 336.826 4.050 0 1 EIAF CN(C)/C=C/[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587511643 MPGWKUKFZNXSNI-RJRNSMGGSA-N 337.419 4.094 0 1 EIAF CCc1noc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527771 UPNVAJGTTLVBDL-HXUWFJFHSA-N 325.408 4.305 0 1 EIAF CCn1c(S)nnc1-c1scc(-c2ccc(Cl)cc2)c1N 958582466 TXJPZPXVJWXDBK-UHFFFAOYSA-N 336.873 4.218 0 1 EIAF CCOc1ccc([C@@H]2NCCc3c2sc(C)c3C)cc1CN(C)C 963007942 ITBLZKMRQPBNGV-IBGZPJMESA-N 344.524 4.060 0 1 EIAF O=c1c2ccccc2nc(-c2sc3ccccc3c2Cl)n1O 1857633731 MLLCPHSPKXGSCG-UHFFFAOYSA-N 328.780 4.169 0 1 EIAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 13488794 YLOWXWHAWCOZBC-LJQANCHMSA-N 342.870 4.466 0 1 EIAF C/C(=C\Cc1c(C)c(C)c(C)c(Br)c1N)CCC(=O)O 13759771 FOUGQMKTDTVDNG-WEVVVXLNSA-N 340.261 4.310 0 1 EIAF O=C(N[C@H](CC1=CCCCC1)c1ccc2c(c1)OCO2)C(F)(F)F 38142322 PDXDCWJWYQRKDR-CYBMUJFWSA-N 341.329 4.025 0 1 EIAF c1ccc(CN2[C@H]3CC[C@@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1 72316729 RTCFKJVSDGLJAM-IHWFROFDSA-N 332.451 4.170 0 1 EIAF COc1ccc(/C=C2/CCc3cc(OC)c(OC)cc32)cc1OC 96940218 BGVNZTKUXGQNKY-ZROIWOOFSA-N 326.392 4.208 0 1 EIAF CCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)[S@](C)=O 144354623 SRFGUIZCVKITPM-HKARXFIJSA-N 348.549 4.270 0 1 EIAF COc1cc(OC)c2c(C)c(Cc3cccc(Cl)c3)c(=O)oc2c1 144705031 FDZVLQDRCHWYRK-UHFFFAOYSA-N 344.794 4.363 0 1 EIAF C=CC(=O)Nc1cccc(-c2ncnc3[nH]cc(-c4ccccc4)c23)c1 261193314 ZZQAUPMZTTVWNS-UHFFFAOYSA-N 340.386 4.416 0 1 EIAF Nc1cccc(-c2cn3nc(-c4ccc(Cl)cc4)sc3n2)c1 473086958 JBRZWSZCWKRPGJ-UHFFFAOYSA-N 326.812 4.360 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883422 JLRMACLMAOUIKX-GXYOHSSGSA-N 338.451 4.136 0 1 EIAF Cc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1F 587117189 FBRWCMGXBCUKHD-UHFFFAOYSA-N 338.308 4.151 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587162170 TYQLQNRHTKZZNG-CVEARBPZSA-N 338.382 4.079 0 1 EIAF Cc1c(Br)ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587174098 MFDRLQDHXGYQAP-CQSZACIVSA-N 347.187 4.449 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2c(C)cnc(Cl)c2[nH]1 587229498 YDNUEKSDZJRCIC-UHFFFAOYSA-N 344.846 4.281 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)c(F)c1)O2 587384611 GDAKLOFFKAEBLZ-IBGZPJMESA-N 340.398 4.023 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(F)cn1)O2 587386653 KZDNRWLFCPGHBT-OAQYLSRUSA-N 348.377 4.020 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1OC)CC2=O 587465703 GEWAGSXRRMCMBS-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587513157 BASRODHGMHAAMH-NRFANRHFSA-N 337.419 4.240 0 1 EIAF CCOC(=O)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521009 CGAGOSFMIHVITD-UWJYYQICSA-N 342.435 4.023 0 1 EIAF O=C1C[C@@]2(C[C@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587523751 PKWBLJDGNKDQIL-AUSIDOKSSA-N 345.442 4.017 0 1 EIAF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C\c1ccc2c(O)nc(O)nc2n1 587561928 WTCJWFBGKIMFGV-IFTLRPNMSA-N 325.412 4.078 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccncc2)N1 587776131 BEGKPMODAZZSBZ-GTNSWQLSSA-N 349.247 4.191 0 1 EIAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356294059 BXJMTCBLJTVUEU-RCCFBDPRSA-N 340.515 4.353 0 1 EIAF Cc1ccc(O)c(C2=C[C@@H](c3cccc(Cl)c3)SC(N)=N2)c1 6522314 NXGOEMTUVIHSQX-INIZCTEOSA-N 330.840 4.498 0 1 EIAF Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1[S@@](C)=O 27307787 VDSOIZJVNHZGRI-QFIPXVFZSA-N 326.446 4.262 0 1 EIAF COc1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1OC 34079699 SKKZPUBXKOYSJB-UHFFFAOYSA-N 338.432 4.340 0 1 EIAF O=C(NCc1ccccc1)OCCOc1cccc(C(F)(F)F)c1 36433800 DNQWYAVQAJZNLK-UHFFFAOYSA-N 339.313 4.011 0 1 EIAF COC1=CC[C@H](CCN2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)C=C1 38147809 SDSADBCGGXETBG-OXQOHEQNSA-N 343.492 4.374 0 1 EIAF FC(F)(F)c1ccccc1O[C@H](c1cccnc1)C1CCNCC1 43022344 ABLMTRUAAOJKSC-KRWDZBQOSA-N 336.357 4.220 0 1 EIAF COc1cccc(CCNc2cc(-c3cc(F)cc(F)c3)ncn2)c1 82162034 ZAYBYLVQHBPWKQ-UHFFFAOYSA-N 341.361 4.085 0 1 EIAF COc1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)c(O)c1 84617406 IKIKUZDXDWLMQE-UHFFFAOYSA-N 348.811 4.397 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 169303257 UZLFWAJFZBWCGR-AWEZNQCLSA-N 349.381 4.053 0 1 EIAF CC(=O)OC[C@@]12CCCC=C1CC[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 253898126 QLZOSNWYWZNEJT-QEUPLWARSA-N 330.468 4.452 0 1 EIAF Cc1ccc2c(c1)nc1n2CCOc2ccc(Br)cc2-1 299864788 MUXRAIQESDTONJ-UHFFFAOYSA-N 329.197 4.167 0 1 EIAF Cc1n[nH]c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989915 SJBZEBXPQOLMSM-UHFFFAOYSA-N 341.370 4.159 0 1 EIAF CC[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991514 NXAVJTLHHAOYNU-LBPRGKRZSA-N 331.371 4.234 0 1 EIAF CC(C)(C)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992723 SIPMSBPTUMHPMS-UHFFFAOYSA-N 345.398 4.310 0 1 EIAF Cc1c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F 587132391 DZEPDYJLAAFCMT-UHFFFAOYSA-N 328.297 4.141 0 1 EIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 587166818 AHLWTOWOXHDTDI-MRXNPFEDSA-N 342.349 4.210 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587170554 QFQMKYIDVCKRIX-SECBINFHSA-N 348.374 4.435 0 1 EIAF COc1cccc2c1CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587526425 SSXNHXWCFQOLRE-QHCPKHFHSA-N 348.442 4.467 0 1 EIAF O=C1C[C@]2(CCCc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587534621 WVJONFBCVNCIHY-QFIPXVFZSA-N 334.415 4.468 0 1 EIAF COc1ccc(-c2cccc(-c3nc4c(C)ccnc4[nH]3)c2)cc1O 587787554 VCZUNBPNSQCQES-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF COc1cc2cc([C@@H](O)c3ccc4ncccc4c3)oc2cc1OC 1772574417 HYEKSHMWFIUPRD-FQEVSTJZSA-N 335.359 4.080 0 1 EIAF CN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccc1 1857563796 UQTYLQNPMCWHGE-UHFFFAOYSA-N 331.419 4.158 0 1 EIAF CCOc1cccc(-c2cn3c(-c4ccc(OC)cc4)cnc3cn2)c1 1857603570 MYASFOPJJUIUQQ-UHFFFAOYSA-N 345.402 4.471 0 1 EIAF CCCC[C@@H]1C(=O)CC[C@@H]2[C@@H](CC=CCCCC(=O)O)C(=O)C[C@@H]12 2356668818 CGCZPIJMGKLVTQ-WCXIOVBPSA-N 334.456 4.178 0 1 EIAF CC1(C)Oc2ccc3c(c2C=C1O)O[C@@H]1c2ccc(O)cc2OC[C@@H]31 2356741130 MCRWVPWUBCXRQM-IFXJQAMLSA-N 338.359 4.072 0 1 EIAF CCCCN1C(=O)C2=C(c3ccccc3)Nc3ccccc3CN2C1=O 72138408 LCHJLUMASRXTKR-UHFFFAOYSA-N 347.418 4.045 0 3 EIAF CC1=CCC[C@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 13402013 PZNQZBUOZWQUJB-LONLNUGOSA-N 332.440 4.113 0 1 EIAF CC(C)CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1 13556494 SOOPXLQFKPXQIH-UHFFFAOYSA-N 343.279 4.416 0 1 EIAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nocc5C[C@@]4(C)[C@H]3CC[C@@]21C 13640950 NSYTUNFHWYMMHU-GSIXCFPSSA-N 329.484 4.383 0 1 EIAF COc1ccc2c(c1)[C@@]13CC[C@H](C)C[C@@H]1[C@@H](C2)N(CC1CC1)CC3 26675275 QXUTYQGRNHORHX-RGXPITOMSA-N 325.496 4.410 0 1 EIAF CCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2ncccc12 28221249 SDTLBPSTKJMQFP-HNNXBMFYSA-N 345.487 4.352 0 1 EIAF O=C(OCc1ccccc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 28604060 LDGHTELTCNTBIY-UHFFFAOYSA-N 349.434 4.154 0 1 EIAF COc1cc(/C=C2\SC(=S)N=C2O)ccc1OC1CCCC1 29126277 GVTNRLMROSXOEZ-ZROIWOOFSA-N 335.450 4.346 0 1 EIAF Cc1nnc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)c(C)c2)o1 33969098 UBVTVSINEVHYSY-UHFFFAOYSA-N 347.418 4.221 0 1 EIAF in-vivo CC[C@@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC 66065960 RNCWKUCWPBNWOH-OGGLQSMSSA-N 333.516 4.292 0 1 EIAF O=C1[C@@H]([C@@H](O)c2cccc3ccccc23)CCCN1Cc1ccccc1 103282717 RJMBWHZCMCFCPO-YADHBBJMSA-N 345.442 4.312 0 1 EIAF Cc1nn2c(O)c3c(nc2c1-c1cccc2ccccc12)CCCC3 103521284 NBPDYMYGNLAMJN-UHFFFAOYSA-N 329.403 4.442 0 1 EIAF CC(C)=C[C@H]1C/C(=C/COc2cc(=O)oc3cccc(C)c23)CO1 238767541 QYSKIBOKWALCSP-UJPCXNRSSA-N 326.392 4.162 0 1 EIAF Cc1cc(NCc2ccc(F)cn2)n2nc(C)c(-c3ccccc3)c2n1 473167353 HWVHBWBVMUCGGM-UHFFFAOYSA-N 347.397 4.159 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2ccnc(Br)c2[nH]1 587066984 KHQGCBYNVYDMDP-UHFFFAOYSA-N 337.608 4.083 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccn1 587091669 NAELKHUOCVAXBI-UHFFFAOYSA-N 344.749 4.328 0 1 EIAF CN(C)c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)nc1 587194356 DVOLPQAIESKQJM-UHFFFAOYSA-N 330.391 4.483 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587244103 MAUXDQXZIHWNDD-UHFFFAOYSA-N 333.178 4.056 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 587248838 FSOSTLUZYWZLIG-UHFFFAOYSA-N 325.375 4.355 0 1 EIAF CC[C@]1(c2cc(F)c(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587382347 PXYWGWZRRDYOGY-GOSISDBHSA-N 335.325 4.265 0 1 EIAF C[C@@]1(c2cccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503124 WWPDWHJGRLDUJR-IBGZPJMESA-N 327.811 4.494 0 1 EIAF CCc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585780 GDPRULUMLKCTPW-WIYYLYMNSA-N 347.370 4.053 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(Cc3ccccc3C2)N1 587817958 NVYWSTGPRXFBFL-LLVKDONJSA-N 346.243 4.117 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587955867 VKXGABREEUDLSP-UHFFFAOYSA-N 349.478 4.029 0 1 EIAF N[C@@H](N=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 958524361 WGQHNMYRCSUPHK-NSHDSACASA-N 331.681 4.270 0 1 EIAF CCC(CC)COc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12 1857598115 FBASSETWBJFREY-UHFFFAOYSA-N 349.434 4.211 0 1 EIAF CC(C)=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)C3 2356596449 LJISNAZUQKRVTR-SFHVURJKSA-N 342.435 4.111 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356620880 HPSZQGQRLMRJLO-LWWSSTOXSA-N 334.500 4.322 0 1 EIAF COC[C@]1(C)C(=O)CC[C@@]2(C)c3cc(O)c(C(C)C)c(O)c3CC[C@H]12 2356638682 NNFYPMHXMLVZMN-NDXORKPFSA-N 346.467 4.057 0 1 EIAF COc1ccc(CNc2ccc(Cl)cc2)cc1Cn1ccnc1 9740661 AGODORKOUWLXDR-UHFFFAOYSA-N 327.815 4.206 0 3 EIAF Cc1cccc2[nH]cc(C[C@@H](C)NC[C@@H](O)c3cccc(Cl)c3)c12 13488807 ZBBKSSFBAYHGKM-AUUYWEPGSA-N 342.870 4.384 0 1 EIAF CC1(C)C[C@H](NC(=O)NCc2ccccc2)c2cc(Cl)ccc2O1 13608292 BTLAYFGMHXAALT-INIZCTEOSA-N 344.842 4.442 0 1 EIAF CC[C@@H](COc1cnc(Cl)c(/C=C/c2ccncc2)c1)N(C)C 13819645 GBPSHMAZWFPCHG-JFDDCEBESA-N 331.847 4.019 0 1 EIAF NC(=O)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818351 WIOGUUSSSSBARL-UHFFFAOYSA-N 345.402 4.364 0 1 EIAF O=c1cc(OCc2ccccc2)ccn1Cc1ccccc1Cl 29048283 NOCOHMWGLHWBFS-UHFFFAOYSA-N 325.795 4.129 0 1 EIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)cc1[C@@H](O)C=C2 29471879 CDKHSZIFDFCQIW-HNNXBMFYSA-N 344.432 4.162 0 1 EIAF COc1cc(CNc2cc(-c3ccc(C)cc3)ncn2)cc(OC)c1 82160923 KAKPQFHOKLQKCO-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF N=C(N)c1ccc(-c2cc(Cl)cc(-c3cccc(C(=N)N)c3)c2)cc1 96908129 GKQTYZISRLMNSR-UHFFFAOYSA-N 348.837 4.242 0 1 EIAF COc1ccc(Br)c2c1CC[C@H]1[C@@H](c3ccncc3)[C@H]21 100025652 SLXPOBZDYHEQIS-XGWLTEMNSA-N 330.225 4.296 0 1 EIAF Cc1ccc2nc(-n3nc4c(c3O)-c3ccccc3CC4)sc2c1 101463405 JKBISHTZYGQVHN-UHFFFAOYSA-N 333.416 4.262 0 1 EIAF COc1ccccc1CN[C@@H]1[C@@H]2CCN[C@]1(c1ccccc1)CC=C2C 103018093 HMCACXWESDLLOQ-MZYLBHOOSA-N 348.490 4.008 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 194845375 YWDPQXQHYYMNDR-NMIHRBCNSA-N 349.474 4.475 0 1 EIAF CCCC(=O)c1c(O)ccc([C@H]2C[C@H](C)Oc3cccc(O)c32)c1O 209972143 IJAFYCQHLNAYDS-WCQYABFASA-N 342.391 4.089 0 1 EIAF CCCCc1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2nc1O 299885903 WGYVMLLGUFVUMP-ZIAGYGMSSA-N 328.460 4.088 0 1 EIAF Cc1cc(Cc2nc3cc(Cl)cnc3[nH]2)ccc1Br 586976408 JOFOLKXSVBNVPO-UHFFFAOYSA-N 336.620 4.273 0 1 EIAF Cc1ncc(-c2nc3ccc(Cl)nc3[nH]2)c(C)c1Br 586979455 ZVVPUJKMJQMQBO-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C1CC1)C3 586989605 CKLMNSZXINZICV-GFCCVEGCSA-N 327.383 4.277 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2C1 587033155 FKZNSIOVQGVKPE-SSDOTTSWSA-N 338.358 4.225 0 1 EIAF Brc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587036675 JGWLZFWDJLIZGJ-ZDUSSCGKSA-N 349.253 4.243 0 1 EIAF CSc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587043409 ZHYORWFUCVRJDD-IAGOWNOFSA-N 341.505 4.231 0 1 EIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncnc(Cl)c2[nH]1 587066819 SMKZPSOEIDPDQT-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Cc1cc(C)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 587114207 QYYZETJVAIEVCQ-AWEZNQCLSA-N 333.357 4.441 0 1 EIAF Fc1c(F)c(F)c(/C=C\c2nc3ccnc(Cl)c3[nH]2)c(F)c1F 587134493 MDWXEWGXXNKHHY-UPHRSURJSA-N 345.658 4.477 0 1 EIAF C[C@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344370 GPSONZCFGOUCTP-AZUAARDMSA-N 337.350 4.134 0 1 EIAF CCOC(=O)Nc1snc(C)c1-c1cc2c3c(cccc3n1)CC2 587359144 GXOQZOWPXPJPAD-UHFFFAOYSA-N 339.420 4.334 0 1 EIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1Cl 587382637 SURTWJDFRVMUSD-OAHLLOKOSA-N 335.762 4.085 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cc(F)ccc3s1)O2 587384569 MPJJIQNUIUVMIN-CQSZACIVSA-N 328.368 4.033 0 1 EIAF CCOc1nc2ccccc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587395075 ODARNGKJXKSPDF-LJQANCHMSA-N 348.402 4.231 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4C[C@@H]1C)[C@@H](C2)C3=O 587419473 FJBJNCKULWHURY-JFAKPTSDSA-N 340.806 4.184 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccnc3)cc1)CC2=O 587469884 IBOATCXCXOTLQT-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF C[C@]1([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600667 BRSWVCSJJUYLIX-HHWQNWTHSA-N 348.398 4.325 0 1 EIAF CC[C@@]1(CSC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848526 XBBOSAAMIYDOAD-XPTSAGLGSA-N 332.282 4.091 0 1 EIAF NC(=O)c1ccc(-c2cncc(-c3ccc(OC4CC4)cc3)c2)cc1 653751712 MIFRWCGFGXQHKA-UHFFFAOYSA-N 330.387 4.056 0 1 EIAF COc1cc(C)c([C@@H]2NCCc3cc4cccc(OC)c4nc32)cc1C 963060791 WZGMDBCRUAAYAC-QFIPXVFZSA-N 348.446 4.104 0 1 EIAF Cc1ccnc2c1CCN[C@@]2(c1cccc(C(F)(F)F)c1)C1CC1 963065427 DOGWWFLUUSUKEK-GOSISDBHSA-N 332.369 4.208 0 1 EIAF COc1ccc([C@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 1857746009 OXDLXKSKCAXVPS-OAQYLSRUSA-N 341.426 4.047 0 1 EIAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356286759 PSIVVTJCLRXXKB-KSZLIROESA-N 340.515 4.353 0 1 EIAF COC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356321192 VBAOKHVYDOQJSK-KRXHPCMFSA-N 348.527 4.222 0 1 EIAF Cc1ccc(-c2cccc(-c3cc(C(N)=O)cc(C(=O)O)c3)c2)cc1 14960606 RYSLAQISVNDTBT-UHFFFAOYSA-N 331.371 4.126 0 1 EIAF COc1cc2ncnc(Nc3nc4ccccc4s3)c2cc1OC 26655685 FRHCEVPETYPUGE-UHFFFAOYSA-N 338.392 4.000 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 27899652 NNSRXNWUJQJDLG-FOOGJUGPSA-N 347.543 4.094 0 1 EIAF COc1ccc(/C(=C/C[C@@H](N)C(=O)O)c2ccc(C(C)C)cc2)cc1 28769040 GLTAJJQDSPPOGH-QDDTUJKSSA-N 339.435 4.052 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2c(C3CC3)cccc21 28964746 QGUIWBVGCWJETD-SFHVURJKSA-N 332.407 4.249 0 1 EIAF C[C@@H](CO)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801378 NNSRXNWUJQJDLG-BWKFQVRNSA-N 347.543 4.094 0 1 EIAF O=C(NCCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 49049237 DAUAFMRVUHZIQJ-UHFFFAOYSA-N 342.870 4.127 0 1 EIAF Cc1c(-c2ccc(-c3ccc(O)cc3)nc2)[nH]c2ccccc2c1=O 84654197 KCARNYWTJLJONI-UHFFFAOYSA-N 328.371 4.271 0 1 EIAF Cc1ccccc1[C@H](Cc1ccnc(NC(N)=O)c1)c1ccccc1 141271983 BSHKGGXYCSBQHD-LJQANCHMSA-N 331.419 4.255 0 1 EIAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2ccc(O)cc2)C1 203669170 WYKVOSKSLKUTPE-KRWDZBQOSA-N 338.407 4.444 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 586894895 FXMJUSXNSAWIBF-UHFFFAOYSA-N 344.370 4.118 0 1 EIAF Cc1ccc(-c2nc(-c3nc4nc(Cl)c[nH]c-4n3)c(C)s2)cc1 587012466 AVZMWWDNFPQWRI-UHFFFAOYSA-N 341.827 4.365 0 1 EIAF Cc1ccnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587017825 QMGQYPZMAMOLTC-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF Oc1nncc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587049624 CJJBAJHKPFDVGB-UHFFFAOYSA-N 347.161 4.292 0 1 EIAF Cc1c(-c2ccnn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095922 ADWDCIWMKSYLDV-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O)cc1Cl)O2 587377281 VWNZQDOWWCMAPA-OAHLLOKOSA-N 338.190 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1F)(C(C)C)O2 587384683 HVPFSNNUUWDLMJ-LJQANCHMSA-N 331.362 4.372 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(F)c1)CC2=O 587467425 RXCXQDKHIWLWCS-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF O=C1C[C@H](c2cccn2-c2ccccn2)Oc2c1ccc1c2CCCC1 587514590 ZXQLMTGYACUOCR-HXUWFJFHSA-N 344.414 4.458 0 1 EIAF C[C@]1([C@H](O)c2cccc(Cl)c2)c2c(F)cccc2C[C@@H]2CCCN21 963117584 XCEFZYLJSFJEES-PWIZWCRZSA-N 345.845 4.448 0 1 EIAF CSc1ccc(/C=C2/C(C)=C(Cc3nn[nH]n3)c3ccccc32)cc1 1857592312 NTBPPARQOOINAV-WQRHYEAKSA-N 346.459 4.492 0 1 EIAF O=C1Nc2ccccc2C1=Cc1ccc2c(-c3cccnc3)[nH]nc2c1 1857615207 NLPZXQSEMRVFPW-UHFFFAOYSA-N 338.370 4.118 0 1 EIAF CCCCCC=CC=C[C@@H](O)CC=CC=C[C@@H](O)CCCC(=O)O 2356342951 GVBURXXHWSCJSI-RTBURBONSA-N 336.472 4.158 0 1 EIAF Cc1c(Cl)cc(C(=O)O)c2c1Oc1ccc(Cl)cc1C(=O)N2 2356807102 WDNGHWRLVPXLRO-UHFFFAOYSA-N 338.146 4.358 0 1 EIAF CCOc1cc(Cl)c([C@H](C)NC(=O)c2cccnc2)cc1OCC 995556 RIKNWPIRSCXWQZ-LBPRGKRZSA-N 348.830 4.023 0 1 EIAF CC(C)N(c1nc(Cl)nc(N[C@@H](C)c2ccccc2)n1)C(C)C 5760344 HKLHDWRTLRCXJM-ZDUSSCGKSA-N 333.867 4.321 0 1 EIAF CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(CC)c21 13586485 OSAMVFGPESOETD-GOSISDBHSA-N 335.831 4.427 0 1 EIAF CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1 26252748 BGQPVZUXEXWXKC-OYRHEFFESA-N 346.474 4.153 0 1 EIAF CC(C)(O)[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26744300 OHSYBHSJIOQOHT-GQEMFKIVSA-N 339.435 4.155 0 1 EIAF CC(C)c1cccc(C(C)C)c1N1CN[C@@H](Cc2ccccc2)C1=O 34803560 LHTPEMLCJRSRNU-FQEVSTJZSA-N 336.479 4.438 0 1 EIAF CC(=O)N[C@@H](C)COc1ccc(Oc2ccc(OC(C)C)cc2)cc1 43196146 YIZVHILZJRFUOV-HNNXBMFYSA-N 343.423 4.170 0 1 EIAF CN1CCC(c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 49069939 ZHMQJYBCKHCLTD-UHFFFAOYSA-N 336.414 4.087 0 1 EIAF CC(C)[C@@]1(c2ccc(-c3ccc4ccccc4c3)nc2)OC(=O)NC1=O 71405051 HVAVJPXFXQIGPR-NRFANRHFSA-N 346.386 4.020 0 1 EIAF c1ccc(CCCSc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1 96283002 PLZCJCOQBAAQPL-UHFFFAOYSA-N 336.420 4.338 0 1 EIAF COc1cc(CNc2[nH]cnc3c4cc(C)ccc4nc2-3)cc(OC)c1 101717242 FWZLYSSBSAFPMD-UHFFFAOYSA-N 348.406 4.000 0 1 EIAF Cc1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1 106695471 SRYRRIBIHICDKY-ZDLGFXPLSA-N 348.427 4.322 0 1 EIAF Clc1cccc(Cl)c1-c1nnc2sc(-c3cccnc3)nn12 205656772 ZIPCWEQSJIFVTO-UHFFFAOYSA-N 348.218 4.222 0 1 EIAF CC(=O)N[C@@H](C)CC[C@H]1CC[C@H](Oc2ccc(OC(C)C)nc2)CC1 261078524 BGSSITZNPKHFTP-SZMVWBNQSA-N 348.487 4.111 0 1 EIAF CCSC[C@@H](C(=O)c1ccc(OC)cc1)n1cnc2ccccc21 473109511 SMZCEPIPKABJEX-SFHVURJKSA-N 340.448 4.222 0 1 EIAF O[C@H]1C[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 586903962 RKASKHRWCXQOCU-AAEUAGOBSA-N 334.297 4.031 0 1 EIAF O[C@@H]1C[C@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 586904316 TUEBTJQJXCYYAJ-SMDDNHRTSA-N 347.187 4.034 0 1 EIAF C[C@@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCCO1 586990416 DURSEBQSRQTBAV-NRFANRHFSA-N 331.371 4.177 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587068007 VYMMJWGBIDNJKT-SNVBAGLBSA-N 330.771 4.393 0 1 EIAF FC(F)(F)c1ccn(CCc2nc3cc4ccccc4cc3[nH]2)n1 587117606 FJDIOQHMSBLFGC-UHFFFAOYSA-N 330.313 4.174 0 1 EIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)cnc2[nH]1 587164058 VUESPFUQMPBINS-UHFFFAOYSA-N 335.313 4.134 0 1 EIAF CC(C)[C@H](c1nc2cncc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197314 DWIZBRJHPKGXBG-CYBMUJFWSA-N 338.839 4.175 0 1 EIAF O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)o1 587206508 LFDSIODGLFVFET-UHFFFAOYSA-N 341.322 4.404 0 1 EIAF CCOC(=O)[C@H](Cc1ccc(F)cc1)c1cc2c3c(cccc3n1)CC2 587213923 SUQSRLMAFWFYJM-GOSISDBHSA-N 349.405 4.362 0 1 EIAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)cc2[nH]1)c1ccccc1 587218154 GHEDSBRUMWIXGH-IBGZPJMESA-N 345.377 4.221 0 1 EIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(C)C)c1 587401044 POJBWRSCWXJRTF-LJQANCHMSA-N 341.407 4.080 0 1 EIAF CC[C@@H](C)Oc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401495 ROAMUVZMEBBREK-BFUOFWGJSA-N 325.408 4.461 0 1 EIAF COc1cc2c3c(c1)O[C@](c1cccs1)(C(C)(C)C)[C@@H](C2)C3=O 587448663 AXBMMEHICBPBBG-ORAYPTAESA-N 328.433 4.446 0 1 EIAF O=C1C[C@H](c2ccnc3ncccc23)Oc2c1ccc1c2CCCC1 587524103 JFEKRDILLWQAOO-LJQANCHMSA-N 330.387 4.215 0 1 EIAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530875 WHLKGZBMPRSOQE-USCONSEESA-N 338.447 4.295 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587768027 CEYMSHADDMTZTA-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CCCC[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798226 YUALIKQBFVKVES-MEDUHNTESA-N 344.268 4.154 0 1 EIAF Fc1ccc([C@@H](Cn2cncn2)OCc2ccc(Cl)cc2)c(F)c1 1857655163 ODZQWMXYOPOBLV-QGZVFWFLSA-N 349.768 4.168 0 1 EIAF COc1ccccc1O[C@H]1O[C@@H](Oc2ccccc2OC)[C@H](C)[C@@H]1C 2356539949 HCNYKHWVAWXELI-YKLJGAPNSA-N 344.407 4.116 0 1 EIAF CN(C)CCCN1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 3809430 FFVMPNLCXIWZLV-SFHVURJKSA-N 343.858 4.229 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@]13CC[C@H](OC1=O)C(C)(C)[C@H]3CC2 36378664 IAORNSRROJRHFC-LRAJWGHMSA-N 344.451 4.070 0 1 EIAF CC(=O)Nc1cnc2cc(C(F)(F)F)cc(-c3ccccc3)c2n1 40865841 KZPZOACQNZIDNK-UHFFFAOYSA-N 331.297 4.274 0 1 EIAF CN1CCC(c2c[nH]c3cc(NC(=N)c4cccs4)ccc23)CC1 72105040 SJQKGYZEJFPXQY-UHFFFAOYSA-N 338.480 4.476 0 1 EIAF CC[C@H](C)Sc1nc([C@H](CC)c2c(F)cccc2F)cc(=O)[nH]1 72116406 OZVSZDNAISPGMO-QWRGUYRKSA-N 338.423 4.481 0 1 EIAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 95555310 DZPXGKJWGJRSKF-AZUAARDMSA-N 344.861 4.303 0 1 EIAF c1cc2nnsc2cc1Nc1nc(CCC2CCCCC2)n[nH]1 95581037 KFGDAQAPDNLONG-UHFFFAOYSA-N 328.445 4.066 0 1 EIAF O=C(Cc1ccc(-c2ccc3nccn3c2)cc1)Nc1cccc(F)c1 299829416 KDSWMNVIIRJAPY-UHFFFAOYSA-N 345.377 4.322 0 1 EIAF O=c1ccc2cc(-c3nc4c(Br)cccc4[nH]3)ccc2o1 586916634 PBQZVTXDJRSMRI-UHFFFAOYSA-N 341.164 4.099 0 1 EIAF Cc1cnc2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 587019993 BANGXVFLLNXKAW-UHFFFAOYSA-N 336.420 4.277 0 1 EIAF N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587025868 SDQGMHARHADVDQ-LLVKDONJSA-N 331.750 4.345 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 587091190 CAEVPVOLMSCTME-UHFFFAOYSA-N 330.697 4.070 0 1 EIAF CN(C)c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)nc1 587195302 TWNRZCCGBGMTES-UHFFFAOYSA-N 340.736 4.363 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587242221 JQCURHAOEWADOB-UHFFFAOYSA-N 334.206 4.419 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1n(C)c1ccccc31)O2 587389879 KQSQYNJLNXXWAF-JOCHJYFZSA-N 346.430 4.266 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccs3)n1)O2 587413871 QLSHDTWBEGHLSU-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc([C@H]4CCCCO4)o1)[C@@H](C2)C3=O 587452107 DFVMBMZWPKDVSD-MNVSYLFESA-N 340.375 4.019 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1NCCC3)CC2=O 587485661 QHGLDEGZOQCJEC-IBGZPJMESA-N 337.419 4.409 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCOc3ccccc31)CC2=O 587493731 VMTJCQZIFFDKLX-VLIAUNLRSA-N 338.403 4.245 0 1 EIAF COc1cccc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504260 IHBPGSBGJZMYOM-GOSISDBHSA-N 326.367 4.420 0 1 EIAF CN(C)Cc1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530606 GCOGKPSUWCOAGJ-SFHVURJKSA-N 341.476 4.395 0 1 EIAF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2ccc([C@H](C)CC)cc12 587641557 HKTKOJWMSIGJGN-GFCCVEGCSA-N 325.412 4.259 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 587931477 JFGHLERQIWFCST-UHFFFAOYSA-N 330.387 4.398 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)CC2 587938230 RDABAVPGSFHGOZ-NSHDSACASA-N 347.340 4.258 0 1 EIAF Brc1cnc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587952066 XPAXHORREOQAMV-UHFFFAOYSA-N 344.212 4.319 0 1 EIAF NCCN(C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 1772611694 OYIMGNJXQZLUSS-UHFFFAOYSA-N 343.641 4.252 0 1 EIAF CCCCC[C@@H](O)C=CC=CCCCC[C@H](CCC(=O)O)NCC 2356353095 HZOZPLSYGFJABL-RTBURBONSA-N 339.520 4.443 0 1 EIAF COc1c(O)cccc1[C@@H]1O[C@H](c2cccc3c2OCO3)[C@@H](C)[C@H]1C 2356455271 MMWHIYBZMMYTSK-RTRLTSMRSA-N 342.391 4.214 0 1 EIAF COc1ccc2nc3sc(C(=O)NCCC(C)C)cc3cc2c1 428372 RMBHRVUXCGXBEW-UHFFFAOYSA-N 328.437 4.234 0 1 EIAF CN1C[C@@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c34)C[C@@H]21 5318605 VCRAKEDGLIINLR-LIRRHRJNSA-N 347.487 4.225 0 1 EIAF biogenic Cc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 7346005 WADUBPFJLJLQRX-UHFFFAOYSA-N 333.391 4.176 0 1 EIAF c1ccc(Cc2ccc(OCCn3cnc4ncccc43)cc2)cc1 13488415 HLOMVSNDAIQETB-UHFFFAOYSA-N 329.403 4.101 0 1 EIAF COc1ccc([C@@H]2OC[C@@]3(COC(C)=O)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 13600948 WSCCZHJZVDZUSC-PKTBXOATSA-N 344.451 4.164 0 1 EIAF CC[C@@]1(O)CCC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C 17148204 XFKKWOBQJWQESO-HZLJESIOSA-N 346.511 4.308 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@H]1c1sccc1C 17511217 BFRCJFXALGSASK-WIZMWCRPSA-N 349.452 4.258 0 1 EIAF CN1CCN(C2=Nc3ccccc3Sc3c2csc3Cl)CC1 29336339 YTSKWQXHWWUIMY-UHFFFAOYSA-N 349.912 4.192 0 1 EIAF CC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@H]1C2 40709661 WCMXBAGNWHQRAC-HNMSSQQWSA-N 342.479 4.410 0 1 EIAF CSc1ccc([C@H](O)c2nnc(N(C)c3ccccc3)s2)cc1 82078756 HDPWQUIAKDSOHR-HNNXBMFYSA-N 343.477 4.110 0 1 EIAF Cc1c(COc2ccccc2)oc2cccc(OC3CCNCC3)c12 95554570 ZETIQSRDVYMNKW-UHFFFAOYSA-N 337.419 4.451 0 1 EIAF Cc1cccc(NC(=O)c2nn(C)c(-c3ccc(Cl)cc3)c2C)n1 95602625 CQAQIYJSTCGVQO-UHFFFAOYSA-N 340.814 4.005 0 1 EIAF NC1=N[C@@H](CCc2ccc(Nc3cccc4ccccc34)cc2)CO1 139755530 VOJCGVRIOBIGIR-SFHVURJKSA-N 331.419 4.230 0 1 EIAF NCCC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12 169316300 VSAGTGFZVAPSDY-LTGZKZEYSA-N 328.868 4.471 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(CCO)cc2[nH]1 587061205 CMTCPMDDVXXJBP-INIZCTEOSA-N 330.815 4.281 0 1 EIAF O=C(O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587074773 YIDGCUYFGGQNDU-UHFFFAOYSA-N 326.783 4.189 0 1 EIAF Cc1nc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1C 587105250 VAYPFRGWMFDPBY-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF COc1cc(-c2nc3cc(C)cc(F)c3[nH]2)nn1-c1ccccc1F 587155942 JIAMGSXFSBQLPA-UHFFFAOYSA-N 340.333 4.011 0 1 EIAF Cc1ccc2c(ccc3nc(Cc4c(F)cncc4Cl)[nH]c32)n1 587175328 BHMRTVVNFYECHI-UHFFFAOYSA-N 326.762 4.198 0 1 EIAF CC(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587241535 FKTIQJRMXJWYFJ-UHFFFAOYSA-N 335.407 4.417 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(Cl)cccc31)O2 587380438 UTGHQCKVLXGKFR-IBGZPJMESA-N 327.811 4.428 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(C)(C)C)nc1C(C)C)O2 587393184 ZHFCBQUTWJHGQF-KRWDZBQOSA-N 341.455 4.359 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc3cnccc3c1)O2 587394425 GXZRMWCSZURFNZ-KRWDZBQOSA-N 332.403 4.092 0 1 EIAF CCCOc1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441995 NLWBWYGAKBWPHA-UTKZUKDTSA-N 338.403 4.147 0 1 EIAF C[C@]1(c2cccc3c[nH]nc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526922 RWQDODJMJSYSIN-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF C[C@@H]1COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536079 RFTBKWFWNKZDQB-PEBXRYMYSA-N 334.415 4.455 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CCC1)C1CC1 587604629 XPSBYKLLLUJRGX-GHTZIAJQSA-N 336.387 4.303 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(C)c(F)cc2[nH]1 587788069 VDOJYJUDMCBBQI-UHFFFAOYSA-N 326.371 4.143 0 1 EIAF CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794168 TVBHKMBBNWHZMB-ABKXIKBNSA-N 337.236 4.102 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4ccc(CO)cc4[nH]3)ccc2c1 587934232 FSRYFJOFNMTDAF-CYBMUJFWSA-N 332.403 4.369 0 1 EIAF Clc1ccc(Cn2c(CN3CCSC3)nc3ccccc32)cc1 621478423 RYWOLEDLLRYIJJ-UHFFFAOYSA-N 343.883 4.244 0 1 EIAF Cc1ccc(-c2ccc([C@@H]3NCCc4nc5ccccn5c43)o2)cc1 962981905 HFLUFYYAJDBRJE-FQEVSTJZSA-N 329.403 4.138 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C1CCCC1)C(F)(F)F 963614155 WNBLKHMHKLNENX-APPDUMDISA-N 343.389 4.186 0 1 EIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccccc4)ccc32)cc1 1857654473 RWZDWTGYJVTIOK-UHFFFAOYSA-N 343.382 4.092 0 1 EIAF CC(C)CNC(=O)C=CCCCCC=Cc1ccc2c(c1)OCO2 2356614952 PAXQNYHJDFKFEU-UHFFFAOYSA-N 329.440 4.317 0 1 EIAF CC(C)CNC(=O)C=CC=CCCCC=Cc1ccc2c(c1)OCO2 2356667823 QVKVGYVXAAXMSX-UHFFFAOYSA-N 341.451 4.483 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](C)C(C(=O)O)=C3CC[C@H]12 2356668763 ANHLKXBWFSLYAB-XYLQXPKGSA-N 334.456 4.193 0 1 EIAF COc1ccccc1[C@@H](O)c1nc(-c2cccc3ccccc23)c[nH]1 61898077 YJZLGABSTAEXFW-HXUWFJFHSA-N 330.387 4.320 0 3 EIAF COc1ccc(Nc2nc(NC(C)C)nc3ccsc23)cc1OC 61904122 OFJPYZOLDYWNAJ-UHFFFAOYSA-N 344.440 4.272 0 3 EIAF COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 1866551 DEZJLRNOZZMFMJ-LAUBAEHRSA-N 344.451 4.290 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1cncn1 26472897 CWWOHKJKERHVSH-ZBGUWCLVSA-N 339.483 4.053 0 1 EIAF CCO[C@H](c1ccc(OC)cc1)c1ccc(C(C)C)cc(=O)c1O 28220285 JIAACAFWDFFLTP-HXUWFJFHSA-N 328.408 4.010 0 1 EIAF COc1ccc(Sc2c(C)[nH]c3cc(S(C)(=O)=O)ccc23)cc1 28382190 VKZOHVGEVVBJLI-UHFFFAOYSA-N 347.461 4.040 0 1 EIAF COc1c(O)cc2c3c(ccc(-c4ccccc4)c13)C(=O)O[C@@H]2OC 38854195 RQXNUCSNDSIBJH-FQEVSTJZSA-N 336.343 4.036 0 1 EIAF biogenic COc1cc2c(cc1OC)-c1c(-c3ccccc3Cl)ncn1CC2 84616747 SFLQUPYZHMPPES-UHFFFAOYSA-N 340.810 4.444 0 1 EIAF CN(C)c1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1 95921388 GEAPHVHHVPDTKQ-UHFFFAOYSA-N 326.403 4.425 0 1 EIAF in-vitro Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Cl 586912560 HFPLCAVDFWURDW-UHFFFAOYSA-N 342.826 4.327 0 1 EIAF CC[C@]1(c2ccc(Cl)c(N)c2)CC(=O)c2cc(C)cc(N)c2O1 587373531 DUFQUSNGBBHBAA-GOSISDBHSA-N 330.815 4.084 0 1 EIAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1SC 587410062 PUMRYPKPIXITDL-IBGZPJMESA-N 343.448 4.188 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC1(Cl)Cl)CC2=O 587458353 APQFINKKDYYQMG-HIFRSBDPSA-N 329.223 4.262 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC1(Cl)Cl)CC2=O 587458355 APQFINKKDYYQMG-ZFWWWQNUSA-N 329.223 4.262 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1NC(C)=O)CC2=O 587469113 IIZGQSMZRBTXJC-LJQANCHMSA-N 339.391 4.010 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC[C@@H]1C 587486473 LCOBQGAMIZACGA-ZSEKCTLFSA-N 338.403 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1sc(C(=O)O)cc1C)CC2=O 587493095 QOZVJWOLFGAASS-AWEZNQCLSA-N 346.404 4.119 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc(C)sc1C)CC2=O 587494720 NMSFTLMQODJGAA-SFHVURJKSA-N 331.437 4.299 0 1 EIAF O=C1C[C@H](c2ccc(Br)[nH]2)Oc2c1ccc1c2CCCC1 587497132 KNJRGGITYYSHGY-OAHLLOKOSA-N 346.224 4.363 0 1 EIAF C[C@@]1([C@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499097 RUOCPXJVJRDREL-ZBFHGGJFSA-N 325.235 4.483 0 1 EIAF CCn1ncc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500602 MIRGFWIOXAXHMP-MRXNPFEDSA-N 330.815 4.142 0 1 EIAF O=C1C[C@H](c2c(O)ccc(F)c2F)Oc2c1ccc1c2CCCC1 587508470 VWCHPBVQTHSYSJ-MRXNPFEDSA-N 330.330 4.256 0 1 EIAF Cc1ccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)nc1 587624060 XHCGIMWTGIRWRO-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2F)N1 587727973 QHITWCWDISDESK-FUXBKTLASA-N 344.224 4.412 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 587787989 YNWOPTGYEIJHBN-GJZGRUSLSA-N 340.810 4.468 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1ccnc(Cl)c1 587871417 WITPKSBNKFCQCE-UHFFFAOYSA-N 344.777 4.010 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(C)cnc(Cl)c2[nH]1 587927047 NEUHRKJQZFWIBT-GFCCVEGCSA-N 345.830 4.479 0 1 EIAF COc1ccc(C[C@H](C)c2nc3cc(C)c(F)cc3[nH]2)cc1OC 587927085 RKIWYSHKNVYWNT-LBPRGKRZSA-N 328.387 4.374 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587938182 UIAUUVYQTATWFH-RBZFPXEDSA-N 336.435 4.287 0 1 EIAF Cc1nn(-c2ccccc2)cc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963088537 FQKCSYBFHGVJDD-GCJKJVERSA-N 347.437 4.430 0 1 EIAF O=C(O)c1cc(-c2ccc(-c3cncnc3)cc2)nc2ccccc12 1250598271 VGIDFZVNGRCPJX-UHFFFAOYSA-N 327.343 4.057 0 1 EIAF O=C(NCc1ccc(C(F)(F)F)c(F)c1)c1cc(Cl)ccc1O 1857550861 ZPXDABFFJPVGLB-UHFFFAOYSA-N 347.695 4.134 0 1 EIAF CC(=O)OCCC=CC=CC=CCCc1ccc(OC(C)=O)cc1 2356525347 XKPOORKVEKDFGM-UHFFFAOYSA-N 328.408 4.166 0 1 EIAF CC=C(C)C(=O)O[C@H]1C[C@@H](C)c2c(c(O)c3occ(C)c3c2C)C1=O 2356691590 PCKTVUSCRGCLKU-MFKMUULPSA-N 342.391 4.323 0 1 EIAF CC1(c2cc3c(cc2Br)OCO3)SCCCS1 1614417 DMOZTQIEWWPZEE-UHFFFAOYSA-N 333.272 4.221 0 1 EIAF COc1ccccc1CC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579701 WEAGDQJKIPGCKZ-IBGZPJMESA-N 345.870 4.182 0 1 EIAF O=C1c2ccccc2CC[C@H]1CN1CCC(Cc2ccccc2)CC1 13607220 LTCASCAKDDGTLO-NRFANRHFSA-N 333.475 4.386 0 1 EIAF Clc1ccccc1CN1CCC[C@@H](Nc2ccc3[nH]ncc3c2)C1 28642190 BVZFHBJXEPPCEX-QGZVFWFLSA-N 340.858 4.293 0 1 EIAF CCOC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2oc1=O 38421364 IEILXEYYPYUMKW-UHFFFAOYSA-N 328.751 4.290 0 1 EIAF biogenic CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1 40392358 RFRZSMIYYCXYNL-UHFFFAOYSA-N 348.811 4.335 0 1 EIAF in-vitro CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)[C@]1(C)CO 102078740 IIFAULFSLBRVHS-VLRYTOMCSA-N 346.511 4.179 0 1 EIAF Cc1ccc2c3c(c(C[C@H]4CCOC4)cnc13)-c1ccccc1C2=O 587101490 NRCBNLFPDWGWFU-CQSZACIVSA-N 329.399 4.334 0 1 EIAF COC(=O)[C@@H]1C(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106151 FYSFKYXPZUDLGC-QGZVFWFLSA-N 341.366 4.120 0 1 EIAF CC(C)(C)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587119010 VFGPLOMOXQWLBH-UHFFFAOYSA-N 336.361 4.318 0 1 EIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnccc3[nH]2)cc1F 587151714 TXYRPLUPSADDAL-GOSISDBHSA-N 337.329 4.405 0 1 EIAF CC(C)(C)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2n1 587166703 GTLPVDBDSLXZRY-ZHACJKMWSA-N 338.386 4.046 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 587241488 DKOZWSJWPUQANM-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF Cc1cccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn12 587515753 QQSCEFBZQAOSDO-LJQANCHMSA-N 332.403 4.228 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C2CC2)N1 587758984 ZEEYBIWDIXJMSA-BTDLBPIBSA-N 349.247 4.348 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cnccn1 587859101 BRXMMQXEKXNXHC-UHFFFAOYSA-N 349.221 4.094 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1c[nH]nc1-c1cc(F)cc(F)c1)NCC2 962299615 OZFHNDSJLLRHRI-IBGZPJMESA-N 343.352 4.038 0 1 EIAF COC(=O)c1ccc(/C=C/CN(C)Cc2coc3ccccc23)cc1 1772636762 IQXVPQYJFSFLJC-AATRIKPKSA-N 335.403 4.365 0 1 EIAF COc1cc(-c2nccn2-c2ccc3[nH]ccc3c2)cc(OC)c1OC 1857564924 XMKUDATXTYNMHH-UHFFFAOYSA-N 349.390 4.046 0 1 EIAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 12659062 JTFAPYUEBOLXAA-UGKANONSSA-N 333.516 4.176 0 1 EIAF CCCN(CCC)[C@H]1COc2c(cccc2C(=O)c2ccsc2)C1 29336345 LUQBYFOXFQWXND-QGZVFWFLSA-N 343.492 4.405 0 1 EIAF CCN(CC)C(=S)SCc1cc(=O)c2ccc(Cl)cc2o1 43072229 NHKNGENVEBQJCV-UHFFFAOYSA-N 341.885 4.306 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1c(F)cccc1F 72103429 QNBJIASHZPZHJE-SFHVURJKSA-N 331.749 4.297 0 1 EIAF Cc1ccc(CNCc2coc(-c3ccc(Br)cc3)n2)o1 72142530 MLDIEFCKSDOHKM-UHFFFAOYSA-N 347.212 4.295 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@@H]3C[C@]12C=C3C 85957384 OFNWUWHDGCNABD-DHGBTQKMSA-N 346.511 4.489 0 1 EIAF in-man CCOc1cc2ncnc(Nc3ccc([18F])cc3)c2cc1OCC 102888605 RXOKOKWXZNENPQ-AWDFDDCISA-N 326.362 4.310 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1cccs1 169346403 NGDYJXMFCWASPD-KPOBHBOGSA-N 327.493 4.221 0 1 EIAF O=Nc1c([C@H]2C(=O)Nc3ccc(F)cc32)[nH]c2ccc(Cl)cc12 169723365 FVQQEQDMLYAMOI-ZDUSSCGKSA-N 329.718 4.442 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCN(C)C3)cc12 226089409 RQFYBKRUTOMNAE-CYBMUJFWSA-N 339.414 4.187 0 1 EIAF Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)cnc(=O)n1C 261084077 CFVPUCGSRBYTQS-UHFFFAOYSA-N 347.418 4.129 0 1 EIAF O[C@@H]1C[C@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 586902451 KVXHFSXZTDSLHO-SMDDNHRTSA-N 347.187 4.034 0 1 EIAF Cc1cccc(Cl)c1NC(=O)Cc1cc2c3c(cccc3n1)CC2 587209769 WZUZCUASTRYYGS-UHFFFAOYSA-N 336.822 4.476 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccn3)cc1)O2 587394311 TZZXZNONWGMMCA-IBGZPJMESA-N 346.386 4.471 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3c1ccccc1)O2 587402066 WZKXJJJIYFFGDX-AQKKSAQBSA-N 348.446 4.113 0 1 EIAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)C 587402605 ZTEUKAGDWMRSEQ-SFHVURJKSA-N 341.407 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)cc1N)CC2=O 587468160 BMPBMLGLQIZYKP-HXUWFJFHSA-N 325.408 4.116 0 1 EIAF C[C@@H]1CCCN(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515573 VFEMENZETAEUOC-QVKFZJNVSA-N 327.468 4.021 0 1 EIAF Cc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c12 587524200 KSJKRKBDJWYJBZ-GOSISDBHSA-N 332.403 4.457 0 1 EIAF CC[C@]1(Cc2nc3cc(Cl)cnc3[nH]2)CC(=O)c2ccccc2C1 587959098 CKMUDHNBCXFRHL-LJQANCHMSA-N 339.826 4.379 0 1 EIAF CCCCC[C@@]1(c2cn(C)nc2C)NCCc2cc(C)c(F)cc21 962087213 DADDGUHDYIHQED-HXUWFJFHSA-N 329.463 4.146 0 1 EIAF Cc1cn2c([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)c(C)nc2s1 963107107 NQVJFSMOCRMULV-QAPCUYQASA-N 341.455 4.262 0 1 EIAF c1csc(-c2nc(=NC3Cc4ccccc4C3)c3ccccc3[nH]2)c1 1772629899 YIFJXSPQCBCHCI-UHFFFAOYSA-N 343.455 4.360 0 1 EIAF Fc1ccc(Cn2nncc2COc2ccc3ccccc3c2)cc1 1857761403 QGFMLYSHNINSEL-UHFFFAOYSA-N 333.366 4.198 0 1 EIAF CO[C@@H]1C=C(O)[C@H]2[C@]1(O)[C@]1(C)CC[C@@]23CC[C@@H]2CCCC[C@@H]2[C@]31C 2356372893 OJVFKZLWBVUBSM-HZYXLMICSA-N 332.484 4.211 0 1 EIAF CC(C)=CCCC1=CC[C@H](C(C)=CCCC2=CCOC2=O)OC1=O 2356377926 PRLXHEUKWIVTBJ-GOSISDBHSA-N 330.424 4.184 0 1 EIAF FC(F)(F)c1cccc(N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 4980810 FIAOAIAXJRLEKI-OWCLPIDISA-N 336.401 4.040 0 1 EIAF CCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@](C)(CC)O3 6808094 MVTIRQHWPVNWJA-IBGZPJMESA-N 329.396 4.015 0 1 EIAF O=C(O)[C@@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1 13827941 SJJUKGVRGZOKFH-MRXNPFEDSA-N 333.431 4.285 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C)[C@]12C 15220697 MHHDTKFGMDYVQU-LMFCIFFHSA-N 332.440 4.252 0 1 EIAF biogenic CC[C@H](O)Cn1ccc(-c2cccc(-c3cccc(C(C)=O)c3)c2)n1 23399327 UOPBFSLCYXCIEX-FQEVSTJZSA-N 334.419 4.191 0 1 EIAF CC(C)NCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29564624 TUVDXBCRDNHOOP-UHFFFAOYSA-N 337.419 4.227 0 1 EIAF Cc1nccn1-c1csc(Nc2ccc(Br)cc2)n1 35049903 MMTMCSUQDRPQPH-UHFFFAOYSA-N 335.230 4.143 0 1 EIAF CN(C)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36520099 ODVRBPMLOHMDEU-UHFFFAOYSA-N 343.810 4.087 0 1 EIAF COc1cc(-c2nnc(SCc3cccc(Cl)c3)o2)ccc1O 84713964 PVQCNYMXNRXXBY-UHFFFAOYSA-N 348.811 4.397 0 1 EIAF O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc2[nH]ccc12 95597871 KPFYHZZHNULACT-UHFFFAOYSA-N 334.375 4.359 0 1 EIAF Oc1cccn(CCCCCn2cc(-c3ccccc3)nn2)c1=S 103256544 YYRBBLSWPCHZTE-UHFFFAOYSA-N 340.452 4.052 0 1 EIAF FC(F)(F)c1cccnc1Oc1ccc(Nc2ncccn2)cc1 139303539 NFSJLPVJPXJJDY-UHFFFAOYSA-N 332.285 4.426 0 1 EIAF CCCCOc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br 586910794 BFIYVJXINGAONO-SNVBAGLBSA-N 339.233 4.008 0 1 EIAF CCCC(Br)(CCC)c1nc2cc(OC)ncc2[nH]1 586970558 GMEHWRZIFATTDE-UHFFFAOYSA-N 326.238 4.157 0 1 EIAF Cc1ccc(-c2nc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cs2)o1 587017803 ZVJSZLUJYHNCKF-UHFFFAOYSA-N 343.339 4.092 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CCCN1CC3 587108298 ZZIRRHZRMZEHPF-GOSISDBHSA-N 326.399 4.139 0 1 EIAF Cc1cncc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587134739 NYPBJZQWEDPTCM-IHWYPQMZSA-N 325.240 4.132 0 1 EIAF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)nc2cccc3c2c1CC3 587210688 VTPUGOXGTPNQFN-UHFFFAOYSA-N 341.769 4.420 0 1 EIAF Cc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614952 VYCQKDBFRYDHHS-QFBILLFUSA-N 338.384 4.465 0 1 EIAF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(F)ccc12)C(F)F 587633685 IQMUKZIMOJIDKA-UHFFFAOYSA-N 333.265 4.151 0 1 EIAF Cc1cccc([C@@]2(c3ccccc3)c3ccsc3CCN2C(N)=O)c1 962698242 GLOWTDBBCUZLHV-NRFANRHFSA-N 348.471 4.285 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2n[nH]c3ccc(C)cc23)N1 962963469 ZATACGXCGWYRGY-YEJXKQKISA-N 330.435 4.366 0 1 EIAF CCOC(=O)c1nc(C(C)C)sc1-c1ccc2nccnc2c1 1857604961 UKEFONFUDJEEDF-UHFFFAOYSA-N 327.409 4.053 0 1 EIAF CO[C@@H]1CCCc2[nH]c(=Nc3cccc(Br)c3)sc21 1857654526 IBWKDXXTUBFEJS-GFCCVEGCSA-N 339.258 4.095 0 1 EIAF CNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 102171 HERPEDMXNWUVCO-UHFFFAOYSA-N 327.391 4.038 0 1 EIAF C[C@H]1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 4247008 RFKGRNHCDPISFS-NZWMYCLXSA-N 330.497 4.423 0 1 EIAF Oc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1 13582362 HUPROOXJTZKFAQ-UHFFFAOYSA-N 349.478 4.018 0 1 EIAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C)[C@@H]2C)ccc1O 15264159 TZAAYUCUPIYQBR-PVUDRZGPSA-N 328.408 4.075 0 1 EIAF endogenous,in-man Clc1nc2ccccc2nc1SCc1nc2ccccc2[nH]1 66104753 DRKCWNPTTNCTRB-UHFFFAOYSA-N 326.812 4.452 0 1 EIAF CC[C@@H]1CCCCN1c1cc(Oc2cc(OC)cc(OC)c2)ncn1 82067334 HELAUBBWDYDRLW-CQSZACIVSA-N 343.427 4.055 0 1 EIAF O=C(O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12 149697667 LJHFNRZRNINLGH-UHFFFAOYSA-N 340.358 4.127 0 1 EIAF Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C/C=C/Cl)[C@@H](C2)C1 169314654 KYZHWLKXFQALIM-QCSDVZFWSA-N 339.866 4.451 0 1 EIAF COc1cc(/C=C/c2cc(O)cc(O)c2CC=C(C)C)ccc1O 200391711 YQQRUVFYYSYCFD-FNORWQNLSA-N 326.392 4.491 0 1 EIAF Sc1nnc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)s1 587025206 JGXXHXZFCMEZQM-UHFFFAOYSA-N 349.293 4.302 0 1 EIAF CCc1cc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Cl 587052522 DLGCYQUZLKPIAD-KRWDZBQOSA-N 344.802 4.081 0 1 EIAF Cc1cc(Br)c2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 587135319 ZAIUPGJOUFJAMX-UHFFFAOYSA-N 338.155 4.161 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2ccc(C(C)=O)cc2[nH]1 587228303 ATXCAXFUQFNWQV-UHFFFAOYSA-N 337.423 4.127 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccccc1N)(C1CCCC1)[C@@H](C2)C3=O 587431975 IUVFRLKPTAVNCE-HTAPYJJXSA-N 349.430 4.111 0 1 EIAF O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631751 LJMWKTIQBOAGAL-UHFFFAOYSA-N 342.757 4.281 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(F)c(F)c(F)c3[nH]1)CC2 587936288 BMDDSHCHTUCDSG-JTQLQIEISA-N 332.325 4.261 0 1 EIAF Cc1cc(Br)c2nc(C(=O)CCc3ccccc3)[nH]c2c1 587953499 LHUCFXQMAKSNBL-UHFFFAOYSA-N 343.224 4.449 0 1 EIAF COc1cc2c(cc1OC)[C@]1(CCCc3sccc31)N(C)[C@@H](C)C2 962632065 OMANKJNVCAWULQ-RNODOKPDSA-N 343.492 4.222 0 1 EIAF CC(=O)[C@H](C)[C@]1(c2ccccc2)c2ccc(F)cc2C[C@@H]2CCCN21 963102646 RTNPSEXOEHUUOJ-LVWPNOBMSA-N 337.438 4.315 0 1 EIAF Cc1ccc(-c2noc(C)c2[C@]2(C)NCCc3ccc(O)cc32)cc1 963340745 HSNWATRHFVAHHR-OAQYLSRUSA-N 334.419 4.073 0 1 EIAF COc1cc(O)cc(-c2cc3cc(O)c4c(c3o2)CC=C(C)CO4)c1 2356727263 LMIOAPXNPVXGCO-UHFFFAOYSA-N 338.359 4.401 0 1 EIAF C1=C(c2ccccc2)C[C@H](CN2CCN(c3ccccn3)CC2)CC1 13738844 AWOGKNNAUOHEDQ-LJQANCHMSA-N 333.479 4.087 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13823520 WYLVHBJTPIXZSO-HXIANDDZSA-N 332.484 4.243 0 1 EIAF Cc1ccc(-c2nc3ncnc(O)c3nc2-c2ccc(C)cc2)cc1 28355630 HOBIVDAJNKFXCN-UHFFFAOYSA-N 328.375 4.076 0 1 EIAF COc1ccccc1NC(=O)c1cnc2ccc(-c3ccccc3)cn12 49000316 MXJBXTJDRDZTNZ-UHFFFAOYSA-N 343.386 4.262 0 1 EIAF CCOc1ccccc1CNc1cc(-c2cc(F)ccc2F)ncn1 82161046 SMKRAFVNZFDDIJ-UHFFFAOYSA-N 341.361 4.433 0 1 EIAF C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3=O 85976729 DWVBZTIYCORWPB-WWHJXGCHSA-N 330.424 4.092 0 1 EIAF COc1cc(C(c2ccc(O)c(OC)c2)[C@@H](C)[C@@H](C)CF)ccc1O 299831490 QCVRIQWIRBKLSC-STQMWFEESA-N 348.414 4.489 0 1 EIAF O=C(O)c1cc2sc(=Nc3cccc4ccccc34)[nH]c2cc1O 473085952 ZGVKNRSUPJIHEX-UHFFFAOYSA-N 336.372 4.019 0 1 EIAF Cc1cc(NCc2cccc3ccccc23)c2cccc(C(N)=O)c2n1 473086183 BAMXQIAILMHJEY-UHFFFAOYSA-N 341.414 4.407 0 1 EIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnccc3[nH]2)c1 586881635 HQWUJEHFVNJLET-UHFFFAOYSA-N 327.387 4.473 0 1 EIAF Brc1ccnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 586887458 UJGHZTDRBSETSB-YVEFUNNKSA-N 340.224 4.092 0 1 EIAF O[C@@H]1C[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 586904465 UHOBSYSLSLDSJX-SWLSCSKDSA-N 334.297 4.031 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 586915469 DKEKNCAXBMGZQO-HXPMCKFVSA-N 342.345 4.058 0 1 EIAF CC(C)(C)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2n1 587035981 YFAASHFQFYVUDR-CYBMUJFWSA-N 327.453 4.173 0 1 EIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(CCO)cc2[nH]1 587065910 DVAQILBDFIALBR-UHFFFAOYSA-N 344.842 4.071 0 1 EIAF Cc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1F 587082638 UQCXNJCOQFVCRP-UHFFFAOYSA-N 331.778 4.264 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4CC(=O)O)-c1ccccc1C2=O 587101116 JYARWFWZODJBFT-GFCCVEGCSA-N 343.382 4.259 0 1 EIAF Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587123558 IXFSNPLNIZVBLZ-GXFFZTMASA-N 349.360 4.351 0 1 EIAF Nc1c(F)c(F)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F 587136442 GZTVXEAUCPZGMM-UHFFFAOYSA-N 333.647 4.161 0 1 EIAF Fc1cc(Br)ccc1-c1nc2ccnc(Cl)c2[nH]1 587143122 XJTFIYJIBMSGFL-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F 587149710 AEJOBFZLJYXSOO-NEPJUHHUSA-N 342.345 4.274 0 1 EIAF C[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)C=C(c2ccccc2F)NO1 587154036 BRIBAWHFTWSYFR-OAQYLSRUSA-N 349.409 4.372 0 1 EIAF O=C(c1cnc(Cl)nc1Cl)c1coc2ccc(Cl)cc12 587279236 ZIOWDQPJJPDHPJ-UHFFFAOYSA-N 327.554 4.414 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1OC(F)F)O2 587381963 JFSJWSXTDPASIK-MRXNPFEDSA-N 333.334 4.194 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1C1CCCCC1)O2 587392917 XNSBCPSMAAJJQV-GOSISDBHSA-N 339.439 4.065 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc3cnccc3c1)O2 587394426 GXZRMWCSZURFNZ-QGZVFWFLSA-N 332.403 4.092 0 1 EIAF Cc1ccc([C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587396201 XQPDSLNGNYLPHH-JOCHJYFZSA-N 344.414 4.190 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O 587439005 SZBARWUYSZPGPV-YCRPNKLZSA-N 347.370 4.013 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1N)CC2=O 587463139 USZDPVCJKNZKDN-KRWDZBQOSA-N 331.799 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(F)cc1F)CC2=O 587468595 YLPFLGJGPXCSJP-INIZCTEOSA-N 334.318 4.035 0 1 EIAF C[C@@]1(c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587524926 MOSIMDIVFHGAFB-NRFANRHFSA-N 332.403 4.322 0 1 EIAF CCOC(=O)C[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587527802 YTRCMDLJRCTBQZ-NRFANRHFSA-N 344.451 4.269 0 1 EIAF O=C(O)CC[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531337 YZDWTZSQVWBELT-VFNWGFHPSA-N 342.435 4.324 0 1 EIAF Cc1ccc2c(c1)[C@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587533357 SNRWCUTYZCNARI-JOCHJYFZSA-N 348.398 4.044 0 1 EIAF O=C1C[C@@]2(CCCC23CCOCC3)Oc2c1ccc1c2CCCC1 587536538 VFBIUFWOKPOBDF-OAQYLSRUSA-N 326.436 4.250 0 1 EIAF CN1CCc2c(Br)cccc2[C@@]1(C)CC(=O)c1ccco1 963290383 VDKKGXUCLHBBFB-QGZVFWFLSA-N 348.240 4.018 0 1 EIAF CC[C@H](C)c1ccc(-n2cccc2[C@H]2c3c(cnn3C)CCN2C)cc1 963955136 NXUGXQWZYKHKOF-AOMKIAJQSA-N 348.494 4.302 0 1 EIAF Fc1ccc(Nc2n[nH]c3c(OC(F)(F)F)cccc23)cc1F 1772614648 CLDTYDWCLGHBRJ-UHFFFAOYSA-N 329.228 4.483 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3cnc4ccccc4c3)cs2)cc1 61926452 IMBMGVAHWRJEIW-LJQANCHMSA-N 348.427 4.449 0 3 EIAF O=C(Cc1cccc2ccccc12)Nc1nnc(-c2cccs2)o1 2641566 FXWJISNAGQYNGZ-UHFFFAOYSA-N 335.388 4.133 0 1 EIAF COC(=O)c1c(O)cc(OC)c(C/C=C(\C)CCC=C(C)C)c1O 15120687 JOEKSPJWFHNXBT-UKTHLTGXSA-N 334.412 4.128 0 1 EIAF CCN(CC)CC(=O)N(C)c1ccc(Sc2ccccc2)cc1 27988831 MWVGYFIOUBVQPR-UHFFFAOYSA-N 328.481 4.142 0 1 EIAF CCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(C)c12 28222296 JYUUBTWSNUVHFG-HNNXBMFYSA-N 345.487 4.270 0 1 EIAF CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@H]12 40393118 MWAUZLNCUAEKNR-CUBALJKWSA-N 340.897 4.313 0 1 EIAF CC(C)NC(=S)c1cn(CCOc2ccccc2)c2ccccc12 66129195 WNECVUMKRSBMNN-UHFFFAOYSA-N 338.476 4.394 0 1 EIAF CO[C@@H]1Cc2ccccc2C2(CCC(NCc3ccccc3)CC2)O1 71340403 BITTYRNNBNMMOO-IRQNMHNUSA-N 337.463 4.160 0 1 EIAF FC[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 73169214 IBFFGCSUILIKLO-LJQANCHMSA-N 329.390 4.358 0 1 EIAF COc1cc(/C=C/c2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC 96915982 UTUFDBVNXLLHKI-MDZDMXLPSA-N 336.391 4.273 0 1 EIAF CN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2[N+]2=C1CC=C2 101022763 NBVUXUMGEHPTCE-UHFFFAOYSA-N 347.394 4.148 0 1 EIAF COc1ncccc1N[C@@H](c1cccnc1)c1c(C)[nH]c2ccccc12 103244955 PLDRFPAQBXALIC-FQEVSTJZSA-N 344.418 4.476 0 1 EIAF O=C(Nc1ccccc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 164998167 MBUUKOSFSHLYGI-SAABIXHNSA-N 328.387 4.337 0 1 EIAF NCCCNCCCNC(CC1CCCCC1)CC1CCCCC1 169314927 AMUHULINGVVBFF-UHFFFAOYSA-N 337.596 4.214 0 1 EIAF C[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1C(F)(F)F 587096409 ARUQJVOATRXLHD-MRVPVSSYSA-N 346.312 4.315 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(F)ccc31)CC2=O 587471717 MQBIDFFCZSDYJF-FQEVSTJZSA-N 340.350 4.251 0 1 EIAF O=C1C[C@H](C(=O)c2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587506098 PBGKLLBLHGMGPZ-GOSISDBHSA-N 342.341 4.060 0 1 EIAF C[C@@]1(c2cc(F)c(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506716 OKVYKQRZTURJHU-FQEVSTJZSA-N 343.373 4.306 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cc(Br)cnc3[nH]2)c1 587932272 RSYVYRGNUDTSEA-SNVBAGLBSA-N 346.228 4.075 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 587952987 YSFMUVOQDMORLK-JDFRZJQESA-N 330.428 4.396 0 1 EIAF CC[C@@]1(c2ccc3c(c2)OCO3)c2c(F)cccc2C[C@H]2CCCN21 963118223 ZAXJYBXPCUCJPE-IIBYNOLFSA-N 339.410 4.229 0 1 EIAF Cc1cc(-c2ccc(C(F)(F)F)cc2)c(O)c2c1C[C@@H](C)OC2=O 1857577923 BSRDLFYUONDKIF-SNVBAGLBSA-N 336.309 4.488 0 1 EIAF CC(C)n1c(O)nc2ccc(OCCOc3ccc(Cl)cc3)cc21 1857621414 NPSLWGAKZNWOEW-UHFFFAOYSA-N 346.814 4.434 0 1 EIAF Cc1cc(Oc2nccc3occc23)ccc1-c1cncc2ncnn12 1857655855 OUGRRYAUMLQMJR-UHFFFAOYSA-N 343.346 4.033 0 1 EIAF COc1cccc2cc(C(=O)n3nc(-c4ccccc4)cc3C)oc12 1857771509 NLIRYYKMYRDECR-UHFFFAOYSA-N 332.359 4.302 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@@H]1[C@]23C 2356383524 PFLSRYIOOFGEGE-RWMTYIHXSA-N 330.424 4.126 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@@H]1C 2356395215 NITWZXGUPPFECT-KHTYJDQRSA-N 330.424 4.257 0 1 EIAF N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1C=CC=C[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1N 2356861323 UHRBQJCDCXMZHK-ATSDDLQCSA-N 328.544 4.406 0 1 EIAF COc1cccc([C@@](C)(O)c2nc(-c3ccccc3OC)cs2)c1 61906677 ABUGVMYRHRQPPS-LJQANCHMSA-N 341.432 4.083 0 3 EIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3cccs3)cs2)c1 61908379 DFPVJHOFZUBKJU-INIZCTEOSA-N 344.461 4.106 0 3 EIAF O=C(NCc1ccccc1)c1cccc2c(-c3cccnc3)coc12 61925864 BBVAAPQQSAPCRU-UHFFFAOYSA-N 328.371 4.425 0 3 EIAF COc1cc2c(cc1OC)-c1n[nH]c(Nc3ccccc3Cl)c1C2 13677824 VRWBHMNKSMAWII-UHFFFAOYSA-N 341.798 4.395 0 1 EIAF COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1 13863451 VTLHRNPKSRBZBF-VQTJNVASSA-N 348.446 4.248 0 1 EIAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2cccnc2)CC1 28708166 MEUYOYHIZBZUGT-JOCHJYFZSA-N 344.458 4.155 0 1 EIAF CC(C)c1ccc(/C(=C/C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28769009 ODWZNBOTFNAHQY-QHVUTBCBSA-N 345.389 4.322 0 1 EIAF COc1oc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2c1Cl 34436045 AZAPZLHFPPJKQY-UHFFFAOYSA-N 344.754 4.099 0 1 EIAF Cc1ccc(CNc2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1 66139289 YEJQKCNMELQRPL-UHFFFAOYSA-N 349.346 4.102 0 1 EIAF c1ccc(CCNc2cc(Oc3ccc4ccccc4c3)ncn2)nc1 82067697 OCRCFUKUZBABPE-UHFFFAOYSA-N 342.402 4.472 0 1 EIAF CCOP(=O)(CCCCC(=O)Nc1cccc(OC)c1)OCC 96907975 JYVUZOWYMKTTNN-UHFFFAOYSA-N 343.360 4.070 0 1 EIAF O=C(Nc1ccc(Cl)cc1)C1=C(O)CCn2c1nc1ccccc12 100024957 JTFKIVZNXHGPHE-UHFFFAOYSA-N 339.782 4.001 0 1 EIAF c1ccc2c(CCO[C@H]3CCCC[C@H]3N3CCOCC3)csc2c1 114824516 XMETTZAVKMMHKX-MOPGFXCFSA-N 345.508 4.104 0 1 EIAF Cc1cc2c(Br)ccc(-c3nc4cnccc4[nH]3)c2o1 587002493 ABVDHRRVBSXRHD-UHFFFAOYSA-N 328.169 4.442 0 1 EIAF O=C1CSc2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2N1 587044132 PILKXPXQXJPUKA-UHFFFAOYSA-N 335.432 4.153 0 1 EIAF O=C(CCCc1nc2cccc(Cl)c2[nH]1)c1ccc(Cl)cn1 587082289 NEHBJASEWQVFPF-UHFFFAOYSA-N 334.206 4.470 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@H]1CC[C@@H](C4)N1C)-c1ccccc1C2=O 587097387 ODRXKGDOYSTODL-SCLBCKFNSA-N 340.426 4.446 0 1 EIAF CN(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)nc1 587195562 XGVUMDGTBJPZBE-UHFFFAOYSA-N 340.736 4.363 0 1 EIAF Cc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F 587233662 SDFYXUHWLWWXPD-WCQYABFASA-N 333.407 4.171 0 1 EIAF N=c1ncc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c[nH]1 587254024 FTYCSGKNTMJFPF-UHFFFAOYSA-N 337.386 4.253 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(C(F)(F)F)c1)O2 587383425 WQAHIAVDTPUKKT-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF C[C@@]1(c2cnc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587514214 HMHDPIFUORUSCO-NRFANRHFSA-N 332.403 4.094 0 1 EIAF CCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587534319 YQMNWPYLXWTASE-KRWDZBQOSA-N 340.448 4.174 0 1 EIAF Cc1[nH]c2c(C)cc(Cl)cc2c1CN1C(=O)c2ccccc2C1=O 587626330 FWCQAGALESWICR-UHFFFAOYSA-N 338.794 4.234 0 1 EIAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C2CCSCC2)C1 13593315 LEJHIUNKJREDRV-AWEZNQCLSA-N 337.916 4.439 0 3 EIAF O=C(NC1CCCCC1)c1nccnc1-c1ccc(C(F)(F)F)cc1 206051075 TUHXIZPMTQAXRZ-UHFFFAOYSA-N 349.356 4.225 0 3 EIAF CCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21 3832257 WPUHUROYCYWEDW-UHFFFAOYSA-N 348.431 4.284 0 1 EIAF NCCCNCCCN1CCCCCCCCCCCCCC1 13644752 KZRLDBALULPSRS-UHFFFAOYSA-N 325.585 4.312 0 1 EIAF biogenic,in-vitro CCCCCCc1ccc(Oc2nc(OC)cc(OC)n2)c(O)c1 29050294 YNAUOGCPBHCMDN-UHFFFAOYSA-N 332.400 4.115 0 1 EIAF in-vivo Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc21 34801034 GVEDWYJBOAYFLH-UHFFFAOYSA-N 339.527 4.234 0 1 EIAF COC(=O)c1sc2cc(-c3ccc4ccccc4c3)cnc2c1N 66262581 KKBKDQGPBPGLRL-UHFFFAOYSA-N 334.400 4.485 0 1 EIAF C[C@@](O)(CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 73294815 GXQNTKSIOGHUIP-QGZVFWFLSA-N 346.839 4.390 0 1 EIAF CC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](C(C)=O)C[C@@H]12 102789054 IEOBSLNINSFPFV-YHZBMZHBSA-N 338.447 4.130 0 1 EIAF CCOc1cc2ncnc(Nc3ccccc3[18F])c2cc1OCC 102888601 CNWPQOSFYJXVLE-AWDFDDCISA-N 326.362 4.310 0 1 EIAF Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl 117718433 ZEAPUBKSQMQAMT-MRXNPFEDSA-N 328.843 4.368 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12 226084877 RWNAVSXVRGSVMY-UHFFFAOYSA-N 339.414 4.187 0 1 EIAF CC(C)=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO 238777065 HUMPYOCQOJFKOK-YBEGLDIGSA-N 328.408 4.145 0 1 EIAF Cc1cc(Br)cc2nc(CCc3cccc(O)c3)[nH]c12 586896947 MMQRWUBPQWKUJL-UHFFFAOYSA-N 331.213 4.125 0 1 EIAF COc1cc(-c2nc3cccnc3[nH]2)cc(Cl)c1OCC(C)C 587046162 LNAGOXVIWXVNJY-UHFFFAOYSA-N 331.803 4.322 0 1 EIAF Cc1c(Br)ccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134977 YTKVBOMOABJLFE-UHFFFAOYSA-N 339.139 4.285 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587170125 JHASWYGNOUJFCX-QFYYESIMSA-N 344.415 4.322 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1Br)O2 587375952 GASJNPMQAOXXCP-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF CCC1(CC)[C@H](OC)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522628 JNSHQXLTOHMILH-WIYYLYMNSA-N 328.452 4.495 0 1 EIAF O=C1C[C@@H](c2coc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 587532938 REODBWVPBCMSJB-FQEVSTJZSA-N 346.382 4.378 0 1 EIAF C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611863 KJBFJWZRRMAGTJ-LPHOPBHVSA-N 338.384 4.331 0 1 EIAF COC(=O)c1c(Cc2ccccc2F)[nH]c2ccc(F)c(Cl)c12 587629713 YUSOLIAHYANVLA-UHFFFAOYSA-N 335.737 4.477 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(=O)OC)c2c1 587644561 ZVLUHCGGOQAOGG-GFCCVEGCSA-N 336.391 4.099 0 1 EIAF Cc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774736 XFKXVTZBBBYEOZ-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF COC(=O)Cc1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587783044 DXQXWMUTBATSJK-UHFFFAOYSA-N 335.190 4.252 0 1 EIAF COc1ccc(/C=C\Cc2nc3cc(C)c(F)cc3[nH]2)c(OC)c1 587928590 FFAPCPDYJJNJRB-PLNGDYQASA-N 326.371 4.284 0 1 EIAF COc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1OC 587930233 NPPAKZFFZYSNID-XCLFUZPHSA-N 338.407 4.034 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 587961171 QCRAMQFUAWGIER-SSDOTTSWSA-N 345.624 4.022 0 1 EIAF CO[C@@H]1OC[C@@]2(C)CCC[C@@]13[C@H]2CC[C@@]12C[C@H](CC[C@H]13)[C@](C)(O)C2 653846600 RZPAREJCNYHBEB-XXWVXFISSA-N 334.500 4.133 0 1 EIAF CCCSc1nc(NC(C)=O)cc(O[C@H](C)c2ccccc2)n1 1857648243 JKHKXGWHVHXXCS-GFCCVEGCSA-N 331.441 4.077 0 1 EIAF O=C1COCc2cc(-c3cccc(O)c3)ccc2N1Cc1ccccc1 74375656 PKNMKSUXGOHRBB-UHFFFAOYSA-N 345.398 4.123 0 3 EIAF O=C(NC[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1891370 IMTFDRVIARUEIF-HXUWFJFHSA-N 345.398 4.015 0 1 EIAF biogenic COc1cc(Nc2ncc(-c3ccccc3)o2)cc(OC)c1OC 13611282 CKYLEUNHWFIYOR-UHFFFAOYSA-N 326.352 4.111 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1CCN1 13835185 KDUCRLNKTPIPLA-IIPZINQHSA-N 329.528 4.288 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C 15221173 BZRPKNIKUQJVKD-VAMGGRTRSA-N 330.424 4.172 0 1 EIAF biogenic COc1ccc(CNC(=O)C2=Cc3sc(C)c(C)c3CS2)cc1 20557295 ORABKYSCEOBDDQ-UHFFFAOYSA-N 345.489 4.278 0 1 EIAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 34053954 HQNKQGJTPYZHJC-UHFFFAOYSA-N 340.398 4.320 0 1 EIAF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3cccc(F)c3)[C@@H]2CC1 96939116 TXWCHLMWFNMTKW-MGTCYMKMSA-N 342.410 4.022 0 1 EIAF Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1CCCc1cccnc1 100753535 JHJZSVHCUXVYQO-OXQOHEQNSA-N 335.426 4.396 0 1 EIAF Clc1ccc2c(NCCCOc3nccc(Cl)n3)ccnc2c1 103260174 KZCBNDIRHVBZRY-UHFFFAOYSA-N 349.221 4.213 0 1 EIAF O=c1cc(Cc2c(F)cccc2Cl)nc(SC2CCCC2)[nH]1 169352168 NLFVMOPSTPKVDM-UHFFFAOYSA-N 338.835 4.188 0 1 EIAF COc1ccc(-c2cc(C(=O)[C@@H]3CCCCN3)c3ccccc3n2)cc1 299862144 JGDNWMBSMHHLPY-FQEVSTJZSA-N 346.430 4.235 0 1 EIAF Fc1ccc(-c2nc3ncccn3c2-c2nc3ccccc3[nH]2)cc1 473147760 FZBPNDBIEOZYEW-UHFFFAOYSA-N 329.338 4.079 0 1 EIAF COc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Cl 586890545 QOQNUEVLIHJBRQ-DIFFPNOSSA-N 330.815 4.370 0 1 EIAF OCc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586894996 KBXKYVJKFXZZKD-UHFFFAOYSA-N 326.705 4.394 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586914816 YGTUIZROSFOCSN-APPZFPTMSA-N 344.640 4.046 0 1 EIAF COC(=O)c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587073852 MLYDMNZNVNHQCV-UHFFFAOYSA-N 340.810 4.473 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(N)=O)c2[nH]1 587114230 RKOCRJPJLIUJIU-SNVBAGLBSA-N 347.340 4.027 0 1 EIAF Cc1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127160 MWRPARUBTURITO-UHFFFAOYSA-N 332.285 4.313 0 1 EIAF NC(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587152663 CEOZVEUHEBDMDK-UHFFFAOYSA-N 331.350 4.135 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)cc2[nH]1 587163920 OWFALFJGPAEWDA-HNNXBMFYSA-N 348.219 4.116 0 1 EIAF Cc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587244405 HEKOUIMHVBJNEK-UHFFFAOYSA-N 346.390 4.011 0 1 EIAF CC(C)[C@H](N)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587258418 BFPJENRBUIBSRJ-VIFPVBQESA-N 325.256 4.256 0 1 EIAF CCN1CCCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 587397491 AZEAXWMUVZYLLZ-HXUWFJFHSA-N 336.435 4.056 0 1 EIAF CCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498777 GRCRIDDLOPKLIW-INIZCTEOSA-N 344.842 4.450 0 1 EIAF Cc1cc(C)cc(C(=O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525251 RHOOKMGZYPUWOU-FQEVSTJZSA-N 334.415 4.399 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587584678 ADSXYUPIPVRRGZ-NQIIRXRSSA-N 347.370 4.107 0 1 EIAF COc1cc(OC)cc(-c2cn3c(-c4ccsc4)cnc3cn2)c1 653773181 YTCBTPYYTKRACG-UHFFFAOYSA-N 337.404 4.142 0 1 EIAF CCn1c(C)cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1C 962625613 FJIQVQVAJSMPFG-RBZFPXEDSA-N 342.483 4.108 0 1 EIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1 2356300862 UJSGPMRFRCTSAX-JTDSTZFVSA-N 343.515 4.226 0 1 EIAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@H](C)CCC[C@]1(O)C2 2356550783 ZCINKZJXUAGQKT-DPZWOIPNSA-N 334.456 4.332 0 1 EIAF CC(=O)N[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356619604 LGGHTNIMFTVTOB-RGEWOSBMSA-N 345.527 4.061 0 1 EIAF O[C@@H](c1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61928557 ZPJNOBWZOWTXGE-HNNXBMFYSA-N 336.288 4.316 0 3 EIAF C[C@H](/C=C(\Cl)C(=O)Nc1ccccc1C(=O)O)c1ccccc1 13488972 AKSSTIAESQSRMK-QJMZJAKPSA-N 329.783 4.250 0 1 EIAF CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccccc21 13532019 ZNJYKYATCKBLHO-UHFFFAOYSA-N 341.208 4.116 0 1 EIAF Cc1nc(-c2cccc(N3CCC(N4CCCC4)CC3)c2)cs1 23505304 AGVSEHWDVWEDJP-UHFFFAOYSA-N 327.497 4.183 0 1 EIAF COc1ccc2c(c1)C(C)(C)[C@H]1CCN3Cc4ccccc4C[C@H]3[C@H]1N2 26732326 KEKTYHBWSBQOLB-NYVOZVTQSA-N 348.490 4.214 0 1 EIAF Nc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1 29128075 XWGFYVXXAQCIQE-UHFFFAOYSA-N 335.432 4.208 0 1 EIAF O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NC1CC1 40951787 WQZWDSCZSADIMA-UHFFFAOYSA-N 349.471 4.266 0 1 EIAF Clc1cccc(CO[C@H]2CCc3ccccc3[C@@H]2n2ccnn2)c1 66073842 HOPAEXGXDXUDED-OALUTQOASA-N 339.826 4.053 0 1 EIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1ccc(F)cc1n2CCF 73199279 QJLZJESMFQBPJH-OAHLLOKOSA-N 334.410 4.038 0 1 EIAF O=C([C@H]1CCCc2c1c1ccccc1n2CCF)N1CCCCCC1 82150763 RFWUQGQUOTWOHA-KRWDZBQOSA-N 342.458 4.433 0 1 EIAF Clc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1 96271448 IKOMSLMQQGMHPK-UHFFFAOYSA-N 339.782 4.138 0 1 EIAF CCOC1(OCC)[C@H]2c3c(C)cccc3[C@@H]([n+]3ccccc32)C1(C)C 100714861 DNFVMODMZCENJC-WOJBJXKFSA-N 338.471 4.126 0 1 EIAF COc1ccc(Cc2nn3c(O)cc(C)nc3c2-c2ccccc2)cc1 101591253 VVLXTJIUCQTDIV-UHFFFAOYSA-N 345.402 4.010 0 1 EIAF O=C(Nc1ccc(CC[C@H]2CCNC2)cc1)c1ccc(Cl)cc1 117721745 KYVJKKBHTNXODB-HNNXBMFYSA-N 328.843 4.134 0 1 EIAF CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 169313904 AUASRRWSKHUBGZ-JZIXKQJXSA-N 347.458 4.269 0 1 EIAF CC(C)N(C(=O)c1cccc(-c2ccc3c(c2)OCO3)c1)C(C)C 169349621 UHJAHSBEQHHGBD-UHFFFAOYSA-N 325.408 4.341 0 1 EIAF Cc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120229 DKDXHRBIOFCGFU-UHFFFAOYSA-N 334.223 4.299 0 1 EIAF Nc1cc(F)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1N 587136235 CSEBRJXTOIVHDX-UHFFFAOYSA-N 348.381 4.112 0 1 EIAF COc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Cl 587196096 QMNHKQOUZMSIJU-LLVKDONJSA-N 329.831 4.443 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1c(C)cc(C)cc31)O2 587395701 GHZXWSLBKNKKFR-JOCHJYFZSA-N 346.430 4.482 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(C)(C)C)c1O)O2 587403507 HUSBQINZTVHSCC-KRWDZBQOSA-N 325.408 4.287 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C(C)(C)C)[C@@H](C2)C3=O 587441196 FEIDOVVXQXPWEE-JTSKRJEESA-N 336.431 4.470 0 1 EIAF CCOC(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521006 CGAGOSFMIHVITD-DYESRHJHSA-N 342.435 4.023 0 1 EIAF CO[C@@H]1[C@@H](C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587524117 NIGXRYKYSOYHOL-WHIIXXIBSA-N 326.436 4.104 0 1 EIAF CC(C)COc1cccc(OCc2nc3cc(F)cc(F)c3[nH]2)c1 587565983 ONJKJWGQOHBCLM-UHFFFAOYSA-N 332.350 4.455 0 1 EIAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587772373 VGIZNLRDJYEDPB-DYZYQPBXSA-N 349.247 4.224 0 1 EIAF COc1cc(OC)c2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 587929205 HHKBEVKMUNBKTM-VLIAUNLRSA-N 338.407 4.034 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587937598 PUUPFTLHCBFOPG-BTDLBPIBSA-N 346.814 4.071 0 1 EIAF Cc1ccc([C@]2(C3CC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1C 963037411 VNUCOPXJZZEOSE-MWTRTKDXSA-N 346.474 4.010 0 1 EIAF Cc1ccnc2c1CCN[C@@H]2c1cc(F)ccc1N(C)C1CCCC1 963071621 KEZXADDOTXYACQ-OAQYLSRUSA-N 339.458 4.143 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCOCC[C@H]1C(F)(F)F 963104063 GYDMAMNBROSGHU-UAGQMJEPSA-N 343.364 4.030 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC2=C(C)CC[C@H](C(C)C)[C@@H]2C=C1C(=O)OC 2356692218 NWOSQAZFIFOMOK-OIWLHUINSA-N 348.483 4.446 0 1 EIAF COC(=O)c1c(-c2ccc(OC)cc2)sc2ccc(OC)cc12 61969034 FHOVFVVCDWHCBP-UHFFFAOYSA-N 328.389 4.372 0 3 EIAF Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 27150 WMRUUYOOZLWLHY-HNNXBMFYSA-N 339.247 4.475 0 1 EIAF CCN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3C[C@H]12 13453875 TXJSVDRPBGRIFY-FPOVZHCZSA-N 336.435 4.206 0 1 EIAF CCc1cccc(Nc2nc(-c3cccc(OC)c3OC)no2)c1 15770832 NGXICTSXRZNZFT-UHFFFAOYSA-N 325.368 4.060 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 28529740 QVIXLSYROOSFHA-IHWFROFDSA-N 342.433 4.269 0 1 EIAF CCOC(=O)c1cc(Nc2ccccc2C)c2cccc(OC)c2n1 29485745 METYVFXHJAMDEE-UHFFFAOYSA-N 336.391 4.472 0 1 EIAF CO[C@H]1NC(=O)c2c(-c3ccccc3)cc3[nH]c4ccc(O)cc4c3c21 36472405 ZXHHIGDWYZPLHE-OAQYLSRUSA-N 344.370 4.082 0 1 EIAF C[C@H]1CCC[C@@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 40379511 KMPYMLCZTFQZON-QFYYESIMSA-N 341.238 4.276 0 1 EIAF c1cc2c(OCCCCN3CCCCC3)nc3ccsc3n2c1 40395645 MPFNPMOPQYSDJK-UHFFFAOYSA-N 329.469 4.194 0 1 EIAF OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccoc4)N=N[C@@H]23)CC1 87612927 QWEFREUFKAXZEP-MYKUNDNFSA-N 349.434 4.147 0 1 EIAF CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 95571704 BETPFDHUOLQBKA-UHFFFAOYSA-N 340.427 4.369 0 1 EIAF COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc(OC)c(O)c2)cc1O 136422280 FHAGEYRSWPQEQJ-ZIAGYGMSSA-N 330.424 4.172 0 1 EIAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 147441671 BAUZVWBSZFLVIL-AWEZNQCLSA-N 347.846 4.233 0 1 EIAF CCC(=O)N[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205714662 NHOUYSJGRILLTC-MRXNPFEDSA-N 334.341 4.281 0 1 EIAF CC(C)c1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1 299820847 ICGRVWIYKFEHRE-UHFFFAOYSA-N 325.456 4.132 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586883363 BIMGMTHXNDIXPC-SUMWQHHRSA-N 329.325 4.348 0 1 EIAF Clc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c(Cl)n1 587017012 QVLNMLJIEYJTRS-MRVPVSSYSA-N 341.223 4.240 0 1 EIAF Nc1ccc(O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103337 FMOGAUOWFXDBSF-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF Fc1cc(Br)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 587161376 QUBKVBFITWVBAX-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587196872 ZUCXBEOZWGDTNL-SECBINFHSA-N 335.238 4.483 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1O)CC2=O 587459162 GHFWPRKQOMARKS-MRXNPFEDSA-N 332.783 4.410 0 1 EIAF C[C@]1(c2cc(F)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587504112 MPFHFPFEWCMIOJ-HXUWFJFHSA-N 325.383 4.167 0 1 EIAF COc1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527164 VNCIDLBJLFWAKE-JOCHJYFZSA-N 334.415 4.381 0 1 EIAF C[C@@]1(c2ccc(C=O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530271 DQSQONBMALWKGD-IBGZPJMESA-N 326.417 4.320 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1F 587571086 ZEGIHNYYPFFVHW-PXNSSMCTSA-N 336.318 4.234 0 1 EIAF Cc1cccnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774778 XRARTZCFTBMQMA-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)cc1 587936060 QQKVSQYNVKWKNJ-UHFFFAOYSA-N 330.387 4.398 0 1 EIAF C[C@@H](O)CCCC=CC[C@H](O)C=CC=CCC=CCCCC(=O)O 2356432092 PEFWBBUDWGQYCT-RTBURBONSA-N 336.472 4.158 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](O)c3c(C)coc3C[C@@H]12 2356607908 WEHPANHORJZTCX-GODLDSPTSA-N 332.440 4.108 0 1 EIAF CCCC[C@@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C 13776433 VGUKOKATWNDEOI-XDWAVFMPSA-N 343.511 4.307 0 1 EIAF CCC(CC)OC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 27306753 SSMWNQCHCRSYNE-MTFMMBMASA-N 329.484 4.293 0 1 EIAF CCCN1CCC[C@H](COc2nc3ccsc3n3cccc23)C1 40893226 UMXQETCBUUJJNG-AWEZNQCLSA-N 329.469 4.050 0 1 EIAF CN(CCOc1nc2ccsc2n2cccc12)Cc1ccccc1 40895468 IGEOMMVPTANLGW-UHFFFAOYSA-N 337.448 4.060 0 1 EIAF C[C@H]1CC[C@H]2Nc3cc4c(cc3[C@H]2C1)c(C(F)(F)F)cc(=O)n4C 49925471 APDOEOQZQMSOFL-IMSIIYSGSA-N 336.357 4.255 0 1 EIAF COc1cccc(-c2nn(Cc3nnc(C(C)C)o3)c3ccccc23)c1 95755522 CBHBVRHHECXURL-UHFFFAOYSA-N 348.406 4.267 0 1 EIAF O[C@@H](c1nc2ccc(Br)cc2[nH]1)c1ccccc1Cl 584617172 CSGQXCNILCFLTO-CYBMUJFWSA-N 337.604 4.061 0 1 EIAF COC(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899070 SCBDCNPVXPOCBT-UHFFFAOYSA-N 344.370 4.389 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587088878 UGZUYUQHUMXRNG-MRVPVSSYSA-N 347.287 4.211 0 1 EIAF COc1cncc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150861 UBRROFRNHBYVNH-SFHVURJKSA-N 348.381 4.307 0 1 EIAF Clc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587232366 RQFPWXRXFHWXLI-UHFFFAOYSA-N 338.798 4.161 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)CC)o1)CC2=O 587470672 WAZOFXGDMCOEFJ-GOSISDBHSA-N 343.423 4.490 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(O)cc1)CC2=O 587482014 OBYXQBIVYILIPI-FQEVSTJZSA-N 326.392 4.017 0 1 EIAF CC(C)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510969 HZZYIKHEOKNVIE-QHCPKHFHSA-N 349.474 4.424 0 1 EIAF Cc1cc(C=O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587529441 CFXUYFPMNCVTMH-LJQANCHMSA-N 336.387 4.098 0 1 EIAF C[C@]1(c2cc(C(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530284 DSUJZWGUNIWHCH-LJQANCHMSA-N 342.416 4.206 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600351 AVXORLYZTUIWGT-RXVVDRJESA-N 332.355 4.404 0 1 EIAF CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2cc(Cl)c(F)cc12 587631934 MTDUYCYEOWHHEM-UHFFFAOYSA-N 335.766 4.021 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)c(F)cc3[nH]2)CC1 587952197 MQLUZBZIOOCMHF-UNXYVOJBSA-N 340.826 4.433 0 1 EIAF CCOC1=CCCC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962698680 JEDHUPGVTWONBR-FOIQADDNSA-N 347.499 4.489 0 1 EIAF O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)c1ccccn1 1857609914 CITHENRVKXPDCU-UHFFFAOYSA-N 348.431 4.143 0 1 EIAF CCOC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C 3913570 OFQHMWGYQAKDDA-UHFFFAOYSA-N 325.817 4.100 0 3 EIAF aggregator CCCC[C@@H](c1ccccc1)S(=O)(=O)N(C)Cc1ccccc1 230514270 SRWOBWKYWIWMKK-IBGZPJMESA-N 331.481 4.380 0 3 EIAF Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(F)cc1 2548777 BEJREWJUFSISNY-UHFFFAOYSA-N 337.276 4.159 0 1 EIAF CCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 26496739 RTGXFECGBWGZIS-UHFFFAOYSA-N 338.879 4.016 0 1 EIAF Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ncc3[nH]c2=O)on1 29126401 XDJZWOKADJPYOE-UHFFFAOYSA-N 337.766 4.207 0 1 EIAF O=C1Nc2cccc(Br)c2/C1=C/c1cc2c([nH]1)CCCC2 45352677 IMIOJQRNLFGIMO-XFXZXTDPSA-N 343.224 4.149 0 1 EIAF Cc1cc(-c2ccncc2)cc2nc([C@H]3COc4ccccc4O3)[nH]c12 49070367 KFPKDUCXKUGLED-LJQANCHMSA-N 343.386 4.446 0 1 EIAF O=C(Nc1nc(-c2ccccc2)c(-c2ncon2)s1)c1ccccc1 58592442 DFUBNVFLZDNIPO-UHFFFAOYSA-N 348.387 4.112 0 1 EIAF CCC(=O)Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)n1 66112741 XFZGCTMDNSCHBU-UHFFFAOYSA-N 339.345 4.437 0 1 EIAF Cc1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 73169551 HQSNWLKMWUNTEZ-UHFFFAOYSA-N 340.404 4.109 0 1 EIAF COc1cc2c(cc1[C@@H](C)NC(=O)c1ccccc1)C=CC(C)(C)O2 96932038 OPMQCHAYTKQVGD-CQSZACIVSA-N 337.419 4.370 0 1 EIAF CC(C)(C)C(=O)OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32 100909313 SHHWJFWQYLCSAZ-JTSZFWPFSA-N 345.508 4.204 0 1 EIAF COc1ccc([C@H]2C=C3c4cccc5c4[C@@H](CN5)C[C@H]3N(C)C2)cc1 169317781 LJTHJAFRPWGJHQ-VWKPWSFCSA-N 332.447 4.089 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccc(Cl)cc1)CCN2C 169320298 JWJQMGXUKSBLJJ-SVIJTADQSA-N 327.855 4.228 0 1 EIAF COC(=O)CC[C@@]12[C@H]3[C@H](C(C)C)CC[C@]1(C)[C@H]1CC[C@]4(CCC[C@@H]42)N13 238738333 JJDIGTYMQXMRLK-DJBUHZCUSA-N 345.527 4.397 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 586889954 OGCGRWZMPYIUKV-MEDUHNTESA-N 345.240 4.471 0 1 EIAF OCC12CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)(CC1)CC2 586895450 HSHWSWUANHJVTK-UHFFFAOYSA-N 340.345 4.046 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037857 ZPUAHVRILHWARU-OAHLLOKOSA-N 344.461 4.180 0 1 EIAF Clc1ccc(-c2nc3c(Br)nccc3[nH]2)nc1Cl 587083903 BUTOSPDEYVSWBS-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Nc1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 587095001 LUOCIYDOEHZTMT-UHFFFAOYSA-N 346.234 4.245 0 1 EIAF C[C@H](c1nc2cccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128455 MLVZSULEWIWDCE-RXMQYKEDSA-N 347.703 4.292 0 1 EIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(F)ccc2[nH]1 587147933 VEWBWBFUZWVWEI-UHFFFAOYSA-N 346.287 4.187 0 1 EIAF Cc1ccc(CCc2nc3ccc(Br)c(F)c3[nH]2)cc1N 587250536 LGMAKZYOGNEDKB-UHFFFAOYSA-N 348.219 4.140 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1c(F)cccc1Cl)O2 587382075 NXFJKGOSIWQDQP-LLVKDONJSA-N 333.790 4.336 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(F)c1F)[C@@H](C2)C3=O 587427245 RHZTWTCEVLSINI-HUTHGQBESA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(F)cc31)CC2=O 587472860 WDZYBDZLIIJYQX-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(OC)c31)CC2=O 587476897 GRXLOPISYLNJBE-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OCC)C12CCC2 587489131 MQKMDLQOTRCDFQ-PXNSSMCTSA-N 330.424 4.028 0 1 EIAF Cn1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 587516637 DPAKEPFWLFNTTE-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF CCOC(=O)C[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587527803 YTRCMDLJRCTBQZ-OAQYLSRUSA-N 344.451 4.269 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@@H]2CCCO2)N1 587830353 DXDHDKMSCKHGNH-RSAASHCRSA-N 342.252 4.123 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1OC 587926190 KMCZTDMLONUTOE-CYBMUJFWSA-N 347.418 4.475 0 1 EIAF COc1ccc(CCCc2nc3cc(C)cc(F)c3[nH]2)c(OC)c1 587929102 QIRBMSNZVDHZAR-UHFFFAOYSA-N 328.387 4.203 0 1 EIAF CC(C)Nc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 653784805 KRSPJYSBPDQVEF-UHFFFAOYSA-N 338.386 4.077 0 1 EIAF Cc1[nH]c2ccc(Br)cc2c1C[C@@H](N)c1ccccc1 1857538677 CIYJDUPKOYZOCL-MRXNPFEDSA-N 329.241 4.481 0 1 EIAF COc1c(C(=O)Cc2ccccc2F)ccc2c1C=CC(C)(C)O2 1857639441 UHVWQSXXOAYCKO-UHFFFAOYSA-N 326.367 4.444 0 1 EIAF Cc1cc(=O)c2c(o1)O[C@]1(C)[C@H](CC[C@H]3C(C)(C)C(=O)CC[C@]31C)C2 2356632349 KSPJPGGJDQMWRK-JKDHXBHNSA-N 344.451 4.063 0 1 EIAF CC=CCC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@@H]1OC 2356800729 RDVSMDUHDAFGOJ-DNVCBOLYSA-N 346.423 4.189 0 1 EIAF CC[C@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1cccc(SC)c1 2356861366 UICDRBFKZMYNMQ-DZKIICNBSA-N 334.485 4.077 0 1 EIAF CCOc1ccc([C@](C)(O)[C@H](CN2CCCC2)c2ccccc2)cc1 6811644 JGCLOCKWTQIIHT-YADHBBJMSA-N 339.479 4.172 0 1 EIAF COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1O 14760188 LRXBLKKDUMOEFS-HUUCEWRRSA-N 344.451 4.475 0 1 EIAF biogenic CC[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1 71295724 HSDJKXKQVVQRKG-NHCUHLMSSA-N 325.452 4.235 0 1 EIAF Clc1ccc([C@@H]2[C@H]3CC[C@H](C3)[C@]23CCC(N2CCOCC2)=N3)cc1 72266914 KIYTZWUWLDEAMW-LNKGRISISA-N 344.886 4.117 0 1 EIAF in-man Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)o1 82165840 JUHFRFLAVBTSMQ-STQMWFEESA-N 338.411 4.182 0 1 EIAF CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c2ccccc21 84670642 OQHOKNDPQKRFFP-SFQUDFHCSA-N 345.354 4.162 0 1 EIAF CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@@H]1CC[C@@H](C)CC(=O)O)[C@H]23 238754513 XJCVTENZYOPEPX-PGYBWPQXSA-N 334.456 4.192 0 1 EIAF CC(C)c1cc2c(cc1O)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 238787247 YNDIFOCLBVZRHQ-MISYRCLQSA-N 330.424 4.251 0 1 EIAF COc1cccc2c1N[C@@H]1[C@H](Cc3cccc4ccccc34)NCC[C@H]21 299804860 MDJXRHFEZCHQBQ-URVUXULASA-N 344.458 4.331 0 1 EIAF CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)cc2)cc1 473108249 LLXJMDVUYUVECV-QGZVFWFLSA-N 334.799 4.471 0 1 EIAF Clc1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017624 NVFBLCFMOUISKR-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF Clc1ccccc1CCc1nc2c(Br)ccnc2[nH]1 587057516 AQSWWRSSXIBHTI-UHFFFAOYSA-N 336.620 4.159 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085101 KBNPVUJDUCGFDF-UHFFFAOYSA-N 341.729 4.269 0 1 EIAF CCOc1cc(/C=C\c2nc3cccnc3[nH]2)ccc1OC(F)F 587131165 VGILFKRTNLXRIY-VURMDHGXSA-N 331.322 4.128 0 1 EIAF O=C(O)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131501 LCCMHVKHMPZORS-UHFFFAOYSA-N 328.318 4.143 0 1 EIAF CC1(C)COC2(C[C@@H]3Cc4nc5cccc6c5c(c4[C@@H]3C2)CC6)OC1 587215373 GUTOVXZWQVBXHX-GOEBONIOSA-N 335.447 4.152 0 1 EIAF C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353912 PKIDCNYGYXZMRG-CCMJGWDWSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)[nH]c3ccc(Cl)cc13)O2 587380858 XMEQFVSCTRDFIJ-OAHLLOKOSA-N 342.782 4.124 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3cc(F)c(F)cc31)O2 587384346 KLNLEQNWQCHZRL-GOSISDBHSA-N 347.386 4.212 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCCC(C)C)CC2=O 587485397 WGGVHVAMMLQKHC-FQEVSTJZSA-N 348.439 4.048 0 1 EIAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(F)ccc23)cc1OC 587634422 YCYNNWMNTLUJGD-UHFFFAOYSA-N 349.308 4.493 0 1 EIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccsc1 587661689 RLMLNHNLHOSSRM-UHFFFAOYSA-N 336.391 4.312 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)Cl)N1 587706645 RKKPMQUUMBSCOL-KSBSHMNSSA-N 342.586 4.169 0 1 EIAF Cc1ccnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773972 SZAZEBDWOGGISH-APPDUMDISA-N 349.247 4.089 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccsc1 587869916 UKUUTISZOZCBJK-UHFFFAOYSA-N 339.342 4.082 0 1 EIAF CC[C@@]1(Cc2nc3cncc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960380 LEOADTOPLZJTNY-IBGZPJMESA-N 339.826 4.379 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2ncco2)N1 962959021 VKKOTYJGYYAPHL-KSFYIVLOSA-N 343.430 4.372 0 1 EIAF CC(=O)[C@H](C)[C@@]1(c2ccccc2)c2ccc(F)cc2C[C@@H]2CCCN21 963102639 RTNPSEXOEHUUOJ-GJULWVSJSA-N 337.438 4.315 0 1 EIAF Fc1cccc2c1NCC[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963111493 SCZMUDIRYKISQN-XOBRGWDASA-N 326.390 4.045 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccn1-c1ccccc1 963633537 IQCRQJBBBFCYON-QRQCRPRQSA-N 348.446 4.118 0 1 EIAF O=C(O)C[C@@H](c1cccc(-c2ccncc2Cl)c1)c1nccs1 1772603045 RGZGBEXJMHLDNM-AWEZNQCLSA-N 344.823 4.465 0 1 EIAF C[S@](=O)CCCCNC(=S)Sc1ccc(C(C)(C)C)cc1 1857656530 HHXGAEXTHKHHIC-NRFANRHFSA-N 343.583 4.109 0 1 EIAF CCCCCC=CCC=CC=C[C@@H](O)C=C[C@H](O)CCCC(=O)O 2356836330 KZQRVAKWSSAWBB-RTBURBONSA-N 336.472 4.158 0 1 EIAF Cc1cc(-c2c(F)cc3c(=O)ccn(C4CC4)c3c2F)cc(C)n1 13832976 AMOGCMAVQDCNND-UHFFFAOYSA-N 326.346 4.293 0 1 EIAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1c1ccsc1 28238477 BROFGDYGYPYIGK-KRWDZBQOSA-N 336.391 4.418 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801314 WGPZAVZHAGYUOL-SPLYQCCQSA-N 331.500 4.055 0 1 EIAF CCOCCCNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1 82162305 OVHBHLVOFCOLCG-UHFFFAOYSA-N 325.334 4.001 0 1 EIAF CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1Cl 95588801 BAWKJONAJYCILR-UHFFFAOYSA-N 325.224 4.373 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1cccc(OC)c1 96922680 IQFCWDUVQCSBGP-AQCRLBJHSA-N 334.415 4.395 0 1 EIAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 169292295 MWAUZLNCUAEKNR-SHPPOPEUSA-N 340.897 4.313 0 1 EIAF COc1ccc(-c2n[nH]c3ncc(-c4cccc(F)c4N)cc23)cc1 169322495 BKLAOFSZGXAPIQ-UHFFFAOYSA-N 334.354 4.022 0 1 EIAF C[C@H]1c2[nH]c3cc4ccccc4cc3c2Cc2c(O)n(C)c(=S)n21 169729600 LIPRQSKMCFVHCI-JTQLQIEISA-N 335.432 4.410 0 1 EIAF FC(F)(F)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 323907354 DVALYASFDFXACI-UHFFFAOYSA-N 334.297 4.410 0 1 EIAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)s1 473125500 QFOMVYRTNBRLRM-GOSISDBHSA-N 348.475 4.271 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Br)cc2[nH]1 586882155 KVRLLRCIKMWUFQ-VMPITWQZSA-N 343.180 4.090 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 587070026 OSUZAYFATHIQAZ-SNVBAGLBSA-N 338.798 4.469 0 1 EIAF N=c1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c[nH]1 587254547 MHPRHLADFVFUFW-UHFFFAOYSA-N 332.432 4.112 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4c(Cl)cc(F)cc41)[C@@H](C2)C3=O 587429303 UEVFJELEYGTDSP-LIRRHRJNSA-N 344.769 4.077 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CO[C@@H](C)c1ccccc1)CC2=O 587488226 IMMCIPMRTFDONM-HOCLYGCPSA-N 340.419 4.456 0 1 EIAF CC(C)(C)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587513629 DHVPYJUSFBBXRL-GOSISDBHSA-N 336.435 4.359 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(=N)N)cc3[nH]2)cc1 587564973 RNQDMEIHZXBYCN-UHFFFAOYSA-N 336.439 4.114 0 1 EIAF C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611861 KJBFJWZRRMAGTJ-APWZRJJASA-N 338.384 4.331 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1Cc1ccc(C(F)(F)F)cc1 587651923 RUQOADCVYPDGAT-UHFFFAOYSA-N 338.716 4.117 0 1 EIAF CC(C)OCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792127 LFXOVPUMQXUTFJ-BZNIZROVSA-N 344.268 4.153 0 1 EIAF Cc1ccc2nc(-c3cn4nc(C(C)(F)F)sc4n3)sc2c1 653671304 ZKTUOADQGIMDOE-UHFFFAOYSA-N 336.392 4.488 0 1 EIAF C[C@@H]([C@@H]1NC2(CC2)Cc2ccc(Br)cc21)C(F)(F)F 961617692 VJRYVEBUAIUPAK-UFBFGSQYSA-N 334.179 4.367 0 1 EIAF Cc1cc(O)cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962703744 NQEURABULHWSQA-YWZLYKJASA-N 343.467 4.293 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(C)Oc3cc(N)ccc32)N1 962944929 GEZWJHTYIQOHCV-QRQCRPRQSA-N 345.446 4.214 0 1 EIAF CCOC(=O)C[C@]1(CC(C)(C)C)c2c(F)cccc2C[C@@H]2CCCN21 963106199 QYILSJUPRMKWCI-KKSFZXQISA-N 347.474 4.431 0 1 EIAF O=C(O)c1cc(/C=C/c2cccc(C(F)(F)F)c2)cc(C(=O)O)c1 1772642946 QDFCUGLWODKTFE-SNAWJCMRSA-N 336.265 4.272 0 1 EIAF Clc1ccc(Cl)c(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 1857540231 BXFRMNUDRWYOKO-UHFFFAOYSA-N 348.237 4.317 0 1 EIAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3ccccn3)o2)C1=O 1857551065 SENCRKGGJNPLNR-XFXZXTDPSA-N 346.433 4.271 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@@]34CC[C@@H]5CCCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@]21O 2356372895 OJVFKZLWBVUBSM-SCRJDUFBSA-N 332.484 4.211 0 1 EIAF O=C1CC[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1 13730601 WSMIFTGUPARNSH-MRXNPFEDSA-N 349.459 4.114 0 1 EIAF CCCOc1ccc2[nH]c3cnc(OCCC)c(COC)c3c2c1 13780123 BTCRVOSPHNKQGJ-UHFFFAOYSA-N 328.412 4.440 0 1 EIAF in-vivo COCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947035 SQXJYNCVTMWQFT-KJNZLNQQSA-N 328.452 4.024 0 1 EIAF CCOC(=O)[C@H](Cc1ccccc1)Cc1nc2ccccc2s1 28001350 GABGXCLHCSTBGU-OAHLLOKOSA-N 325.433 4.261 0 1 EIAF Cc1ccc(C2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C 29308214 OBHCEADEAPCRBN-QFIPXVFZSA-N 348.490 4.358 0 1 EIAF CCC[C@@H](CC1(c2nnc(Cc3ccccc3)o2)CCCC1)C(=O)O 34803356 CKKKRJHYWGUIIV-INIZCTEOSA-N 342.439 4.363 0 1 EIAF Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O 40380352 SOMWPEIBCBZHBS-OAHLLOKOSA-N 331.799 4.037 0 1 EIAF in-vitro Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 100728255 YWDPQXQHYYMNDR-JKLQHZFJSA-N 349.474 4.475 0 1 EIAF CCO/C(O)=C/C1=NC2(CCCCC2)Cc2cc(OC)c(OC)cc21 101515647 NRDKSWNJZODTMP-XDHOZWIPSA-N 345.439 4.188 0 1 EIAF O=c1c(/C=C(\O)c2ccccc2)nc2ccccc2n1-c1ccccc1 101626330 OSPISMRGWRINNW-QNGOZBTKSA-N 340.382 4.442 0 1 EIAF aggregator N=C(N)N1[C@@H](CCc2ccccc2)CC[C@@H]1Sc1ccccc1 103262151 LLMUOICAETXIKH-WMZOPIPTSA-N 325.481 4.095 0 1 EIAF c1ccc(CN[C@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169321567 KFJZWPDOOOXOSJ-UWJYYQICSA-N 331.463 4.019 0 1 EIAF Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@@H]2[C@@H]2C[C@H]12 169718554 SDYADZMWEXRUPW-FNFFVJSTSA-N 333.309 4.294 0 1 EIAF NC(CO)(CO)CCCCCCCCCCCCCCC(F)F 473154228 FLIXFYOPCXFZOE-UHFFFAOYSA-N 337.495 4.395 0 1 EIAF Cc1c(Br)cc2nc(-c3cccc(CO)c3)[nH]c2c1C 586894982 JKKFGHCETCYBCB-UHFFFAOYSA-N 331.213 4.102 0 1 EIAF CC(C)(SCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)O 586959843 QWPXWBUYWVPFND-UHFFFAOYSA-N 342.420 4.452 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 587067482 CHHOUBOMSBGQNQ-LLVKDONJSA-N 344.798 4.436 0 1 EIAF COc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587135368 YHMCFGMLZVOJIF-UHFFFAOYSA-N 328.290 4.084 0 1 EIAF Fc1cnc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587212696 KUFUKBFVZPTVHT-UHFFFAOYSA-N 329.172 4.297 0 1 EIAF Nc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc2ccccc12 587253515 BCNJTCNDAVVQIE-UHFFFAOYSA-N 328.297 4.379 0 1 EIAF Cc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1Cl 587255111 YGRZHKCPQNXVLF-UHFFFAOYSA-N 335.798 4.061 0 1 EIAF COc1cccc(-c2c(C)c(C(N)=O)nc3c2oc2ccccc23)c1 587362740 MAYSJOJBWUOJDA-UHFFFAOYSA-N 332.359 4.064 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1Br)O2 587375951 GASJNPMQAOXXCP-INIZCTEOSA-N 346.224 4.355 0 1 EIAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587397817 BHABFLZATXZEFR-IBGZPJMESA-N 341.407 4.081 0 1 EIAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587397831 BHABFLZATXZEFR-LJQANCHMSA-N 341.407 4.081 0 1 EIAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403694 PSITVRGLVINFOO-LDBYXDLTSA-N 337.419 4.113 0 1 EIAF CC[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417628 DHSDYNFRROFEMP-BEFAXECRSA-N 328.795 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C2)C3=O 587418898 BMPGXBXKAWDUEY-UAFKOCIVSA-N 340.341 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4c(F)ccc(Cl)c41)[C@@H](C2)C3=O 587427913 LRYANCYVYUQSAT-HXPMCKFVSA-N 344.769 4.077 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](Cc1ccc(F)cc1F)CC2=O 587465727 HHXCCGMPRAXADO-CYBMUJFWSA-N 332.346 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(F)c3F)CC2=O 587472665 UILCXTSBAIKOMW-FQEVSTJZSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1OC)CC2=O 587481962 QJNLQMGRSHHDBK-IBGZPJMESA-N 326.392 4.368 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3ccc(OC(C)C)cc3[nH]2)CC1 587951295 GYPFTOJVOYWYGO-FHERZECASA-N 346.471 4.428 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2ccnc(Br)c2[nH]1 587956008 XVZGUPKHTGYBNA-UHFFFAOYSA-N 330.229 4.355 0 1 EIAF O=C(Cn1c(-c2cccs2)cc2ccccc21)Nc1ccccn1 1772624932 GXXLIFVPMIUTRC-UHFFFAOYSA-N 333.416 4.404 0 1 EIAF CCC(=O)c1cc(C)c2c(c1)C(=O)[C@](C)(C=C(C)[C@H](O)[C@@H](C)CC)O2 2356676381 RTTRWDZCXCRSLT-SVLFDBIPSA-N 344.451 4.275 0 1 EIAF CCc1ccc2c(c1)NC(=O)[C@@]2(C)Cc1ccc(C(F)(F)F)nc1 61926257 HBNZJERXJAXACC-KRWDZBQOSA-N 334.341 4.115 0 3 EIAF CN(C)C[C@@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 13611468 BSOLCASXROXPRZ-OHNRDTAOSA-N 329.440 4.466 0 1 EIAF CCCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCC)[C@H]1C 26850226 BJGGUDOLAARRLL-LAVFMPCWSA-N 343.423 4.268 0 1 EIAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1 28379482 UHGDAIAKKIZOFL-UHFFFAOYSA-N 335.425 4.170 0 1 EIAF COc1ccc(/C(=C/C[C@H](N)C(=O)O)c2ccc(C(C)C)cc2)cc1 28769042 GLTAJJQDSPPOGH-RQRMZWKBSA-N 339.435 4.052 0 1 EIAF C[C@](O)(c1cccc(Cl)c1)[C@@H](c1ccc(O)cc1)c1ccccn1 33605039 AFGHHQYPGGUUDY-PMACEKPBSA-N 339.822 4.480 0 1 EIAF C[C@@H](CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 34412299 HZTFDAHJXDLITP-CYBMUJFWSA-N 342.826 4.391 0 1 EIAF C[C@H](NCCCCc1ccccc1)[C@H](O)c1ccc2c(c1)SCC2 34778359 LOJKFYVLCQYUSW-KKSFZXQISA-N 341.520 4.369 0 1 EIAF O=C(CCCCCCc1ccccc1)c1nnn(-c2cccs2)n1 40876016 WYXJKYSALZTEHS-UHFFFAOYSA-N 340.452 4.100 0 1 EIAF O=C(Nc1ccccc1)c1nn(C(=O)c2ccsc2)c2ccccc12 72176549 VTKQFOMTLDUSSM-UHFFFAOYSA-N 347.399 4.039 0 1 EIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2oc(C(C)C)cc12 73170144 YQHBTAAUQCWHOC-UHFFFAOYSA-N 332.787 4.461 0 1 EIAF CCCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12 95562521 XTCGXTVJXCMHRX-UHFFFAOYSA-N 347.344 4.115 0 1 EIAF CC(C)N(Cc1cnc[nH]1)c1ccc(Br)c(Cl)c1 96177557 VHUDXTLJCMZVIG-UHFFFAOYSA-N 328.641 4.241 0 1 EIAF COc1cccc(C(=O)OC[C@@H](C)[C@H]2CC[C@H]3[C@@H](O)CCC[C@]23C)c1 96935077 CKILNDUESMTOPR-YAJUCGGBSA-N 346.467 4.065 0 1 EIAF CCCN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(SCC)cc1)C2 101281406 XIHXZWUTKBABCV-OWYHZJEWSA-N 347.524 4.318 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1ccnn1 141916107 OPNAQVGFWUIJCB-HGDYXINXSA-N 341.499 4.133 0 1 EIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21 146242320 SKEOCRMXHUICLS-ILWGZMRPSA-N 344.495 4.487 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CC1CC1 169314753 LLHFMMQRFKKJKB-FNVCAUGXSA-N 333.475 4.355 0 1 EIAF CO[C@@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@@H]1N2C 169356293 ODOVOZRQRRUTGF-IVAOSVALSA-N 337.463 4.043 0 1 EIAF C[C@H]1C[C@@H](C)C[C@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 195451750 UIVXVKDVVGELNW-LRAJWGHMSA-N 339.410 4.403 0 1 EIAF CCCCCNCC[C@@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@H]1O2 299808228 JHHGXPAXHMPAAB-AJBZPWHZSA-N 337.504 4.151 0 1 EIAF O=C(Nc1nsc2ncc(-c3ccoc3)cc12)C1CCCCC1 299822027 NETSJXIWMIAOFW-UHFFFAOYSA-N 327.409 4.470 0 1 EIAF Cc1c(Cl)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042666 VNOMAROLCMJMES-HOTGVXAUSA-N 343.883 4.471 0 1 EIAF Cc1c(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F 587133541 ZQYCZSOOEMZPFW-UHFFFAOYSA-N 342.118 4.113 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c32)n1 587245348 WFQHREMOSAPYQA-QXMHVHEDSA-N 328.375 4.071 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Br)O2 587376179 IBIZTGLQRKQSSM-OAHLLOKOSA-N 332.197 4.046 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Cl)ccc13)O2 587379590 JNJFZBARKVTLHA-KRWDZBQOSA-N 326.783 4.418 0 1 EIAF CCCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400857 SARDMTXMZQYOFT-MGPUTAFESA-N 347.455 4.061 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@@H]3CCOC3)C1)CC2=O 587493207 TYOMXABJALUVNV-ZSDSOXJFSA-N 344.451 4.275 0 1 EIAF O=C1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2N1 587522920 FWQISHQWSYCPTG-QFIPXVFZSA-N 347.414 4.158 0 1 EIAF C/C=C\CC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527621 YEZZVRFVXKSDIZ-VKUXZERMSA-N 342.435 4.189 0 1 EIAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603465 OTTWDRKSAZUFNP-RXVVDRJESA-N 332.355 4.404 0 1 EIAF COC(=O)C[C@H](C)Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587785153 MNNJFVVEHPLCDS-CYBMUJFWSA-N 340.448 4.456 0 1 EIAF COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1C 587786410 GPJJRAJRNWUUFQ-UHFFFAOYSA-N 338.407 4.012 0 1 EIAF COC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793341 NPGKUOISBRMRJS-MGPLVRAMSA-N 344.268 4.153 0 1 EIAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1O 587939483 ANYHOAOVMVKDIR-UHFFFAOYSA-N 331.755 4.343 0 1 EIAF Cc1nc(-c2ccc(-c3ccco3)cc2)sc1-c1ccnc(N)n1 653840603 HLMRGYQLRHDBSH-UHFFFAOYSA-N 334.404 4.418 0 1 EIAF O=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1O 1772619492 UUHMSLSGNIJXCN-UHFFFAOYSA-N 333.387 4.297 0 1 EIAF Cc1coc2c1C[C@]1(C)[C@H](CC[C@@H](OC(=O)CC(C)C)[C@@H]1C)C2=O 5648088 QSECTAGZNRNMBK-MNFOOTCESA-N 332.440 4.337 0 1 EIAF biogenic COc1cc(NC(=O)c2ccc3[nH]ccc3c2)ccc1-c1cnco1 12354250 PONKJSHRDDLWKP-UHFFFAOYSA-N 333.347 4.084 0 1 EIAF CN(C)C[C@H]1C[C@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 28523621 BSOLCASXROXPRZ-WTANOLMUSA-N 329.440 4.466 0 1 EIAF CCc1cccc(/C=C/[C@@H]2[C@H]([C@@H](C)O)[C@H](CO)C[C@@H]3CCCC[C@H]32)n1 34802871 WMICFKYVOABZPA-XMABPWNMSA-N 343.511 4.089 0 1 EIAF C/C=C(\C)[C@H]1C(C)=C[C@H]2[C@H](O)CC[C@@H](C)[C@@H]2[C@H]1/C=C/C=C/C(=O)O 35034286 KNDPLJZJPQWOMQ-XLSWVBTGSA-N 330.468 4.365 0 1 EIAF O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc21 38442189 DUFNIJJWDMNBKO-UHFFFAOYSA-N 339.464 4.095 0 1 EIAF CC(=O)Nc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1 74385947 MRSWKDXQBLDOKN-UHFFFAOYSA-N 334.404 4.083 0 1 EIAF O=C(O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82074799 YOXRHKAMVUEYSA-UHFFFAOYSA-N 325.164 4.077 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccc3c1Cc1ccccc1-3)C2 100871485 DNFDUBKLAGVOOT-HZPDHXFCSA-N 333.431 4.040 0 1 EIAF COC1(OC)[C@@]2(Cl)C3=CCCC=C3[C@@]1(Cl)C(Cl)=C2Cl 102982991 ICEZQUPYTITPJE-VXGBXAGGSA-N 342.049 4.294 0 1 EIAF Oc1cc(O)cc(C/C(Cl)=C\Cc2cc(O)c(Cl)cc2O)c1 149545744 KAUKSUHQMCXCHC-BIIKFXOESA-N 341.190 4.070 0 1 EIAF C[C@H](O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165006761 OVSLYFNHAIXXEF-JTQLQIEISA-N 337.400 4.169 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 169323457 YUEVEZWXYBGVTF-QPSWCTBNSA-N 345.527 4.301 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@H]2O)C1 255232565 MENYRVLDWKVWLK-DRRPUAHOSA-N 334.500 4.322 0 1 EIAF Nc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)c(O)c1 299864603 MPUMLPVBHWDHLO-UHFFFAOYSA-N 345.358 4.484 0 1 EIAF Fc1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1Cl 587041211 LODKCGLNQZWFDU-CVEARBPZSA-N 347.846 4.302 0 1 EIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Cl)cc2[nH]1 587173964 DRUWMYQFRLROQS-CYBMUJFWSA-N 328.778 4.079 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1Nc1ccccc1)O2 587389243 JNHFXWJZDWUHAE-FPOVZHCZSA-N 336.435 4.336 0 1 EIAF CCc1ccc(-c2c[nH]nc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397398 UXWPVLUIPPIIHL-LJQANCHMSA-N 347.418 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCF)c1)CC2=O 587467249 RUYSHUNBJBLCEE-IBGZPJMESA-N 344.382 4.400 0 1 EIAF O=C1C[C@H](c2cc(F)c(O)cc2F)Oc2c1ccc1c2CCCC1 587507834 UEYMHPAAVJMIMV-GOSISDBHSA-N 330.330 4.256 0 1 EIAF CC(C)C[C@@]1(c2cccc(Cl)c2)NCCc2c(C(=O)O)cccc21 963135090 WQZOICVTYJIYGU-FQEVSTJZSA-N 343.854 4.474 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc2cccc(C)c2[nH]1 963635369 LZPAXSAABUWVEO-ZSEKCTLFSA-N 336.435 4.117 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C(C)(C)c1ccccc1 963641866 YALPQGVQFKQVGI-VBKZILBWSA-N 325.452 4.257 0 1 EIAF Clc1cccc(CN=c2[nH]c(-c3ccc4c(c3)OCO4)cs2)c1 1857753377 MKOKTOUCPODZAY-UHFFFAOYSA-N 344.823 4.226 0 1 EIAF O=C(Nc1cc(O)cc(Cc2ccccc2)c1)c1cccnc1Cl 1857764457 BNPCBOXTOXBFSC-UHFFFAOYSA-N 338.794 4.284 0 1 EIAF CCO[C@H](CCc1ccccc1)c1c(OC)cc(OC)cc1OC 2356781176 AOXIXAULBXBHFC-QGZVFWFLSA-N 330.424 4.423 0 1 EIAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)cc1C 61907931 MVDAIWITJNYGLG-NRFANRHFSA-N 342.483 4.203 0 3 EIAF CCc1ccccc1C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684655 ZOQZOOMQYNYVEP-IBGZPJMESA-N 344.886 4.325 0 1 EIAF O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1Cl 13827864 DAPZKSNKNVCCSD-UHFFFAOYSA-N 330.174 4.174 0 1 EIAF C[C@H](Nc1nccc(-c2cnn(C)c2)n1)c1ccccc1C(F)(F)F 23380423 DBOUYROMFXDPTA-NSHDSACASA-N 347.344 4.069 0 1 EIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)[C@H]3CCCCN3)c2c1 27523965 HATYYHRAZIDOHD-PBHICJAKSA-N 338.373 4.046 0 1 EIAF COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccccc2)cc1 33982468 VTBTYCBTXHLXDZ-RTWAWAEBSA-N 345.398 4.231 0 1 EIAF CCCCSc1nc(Cc2c(F)cccc2Cl)cc(=O)[nH]1 169352167 INWWMEAFJVTSTP-UHFFFAOYSA-N 326.824 4.045 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898703 LOFPMHNWGPICMQ-IBGZPJMESA-N 344.374 4.326 0 1 EIAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586918557 OYWAKTWLYJABKP-ZDUSSCGKSA-N 338.260 4.233 0 1 EIAF COc1cccc2nc(COc3ccc(Br)cc3C)[nH]c12 586981157 LGVNQTBQHQQJRO-UHFFFAOYSA-N 347.212 4.221 0 1 EIAF CCc1ccc(-c2nc(-c3nc4cccc(C(N)=O)c4[nH]3)cs2)cc1 587015458 DTMVBFJICOQEKO-UHFFFAOYSA-N 348.431 4.015 0 1 EIAF Clc1ccccc1OCc1ccc(-c2nc3ccncc3[nH]2)o1 587064234 FXLIISMOHXVLNE-UHFFFAOYSA-N 325.755 4.450 0 1 EIAF Cc1c(F)ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587108602 FEUIZWRCLHQXNM-UHFFFAOYSA-N 338.260 4.394 0 1 EIAF Cc1c(Cl)ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587125426 FASCYKCTXRXQKX-UHFFFAOYSA-N 332.753 4.465 0 1 EIAF O=C(O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131270 BMIYEWNBHGQANB-UHFFFAOYSA-N 328.318 4.143 0 1 EIAF O[C@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 587209268 MFRWJNAEBBPSQB-OAQYLSRUSA-N 335.834 4.363 0 1 EIAF O=C(/C=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccccc1 587243522 FQLCFHRVOYEBRD-VOTSOKGWSA-N 349.287 4.373 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1C(C)C)[C@@H](C2)C3=O 587431980 SJUZACSWFCFQTG-XOBRGWDASA-N 348.402 4.115 0 1 EIAF CCn1ccc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc21 587432651 YGFMHDZMGMBMGX-IERDGZPVSA-N 333.387 4.159 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(CCc1c[nH]c4ccccc14)[C@@H](C2)C3=O 587437775 JWWDUMDZDYKBKI-JTSKRJEESA-N 347.414 4.315 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CN(C)C)cc1)CC2=O 587468132 IBKLXGCISCKNDU-FQEVSTJZSA-N 339.435 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc3cccnc13)CC2=O 587492070 WLVIEMHCMUMEOC-SFHVURJKSA-N 349.386 4.305 0 1 EIAF CC1(C)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]21 587601669 FFKFCCUBOBUARZ-YHCJWVRASA-N 336.387 4.159 0 1 EIAF CCCc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)s1 963607769 KDVGEIHXSWRNLK-HXPMCKFVSA-N 331.481 4.341 0 1 EIAF c1ccc(-c2ccc(SCc3ccc4ccccc4n3)nn2)nc1 1772576839 WBYWWVMYRPPVTG-UHFFFAOYSA-N 330.416 4.379 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356441706 BMDNPBLUVJZAEA-FAXLKHNMSA-N 332.484 4.242 0 1 EIAF COC(=O)C(C)=CCC[C@@]1(C)[C@@H]2CC[C@H](C(=O)O)[C@@]23CC=C(C)[C@@H]1C3 2356588262 NJJHWXTWQAGIRM-COPBIKPMSA-N 346.467 4.359 0 1 EIAF CC(C)(OC(=O)c1ccc(F)cc1)c1cc2ccccc2c(=O)o1 36388774 FIGXPXYJLSQHOD-UHFFFAOYSA-N 326.323 4.024 0 3 EIAF O=C(NCc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1F 206049733 CRRXUBSZZBPHTM-FQEVSTJZSA-N 334.394 4.295 0 3 EIAF Cc1nnc2c(Sc3nc4ccccc4s3)nc3ccccc3n12 6786281 ASTNEGHQTVYXEG-UHFFFAOYSA-N 349.444 4.347 0 1 EIAF CC(C)(C)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26574038 UAZGEOPGYIJTJW-QGZVFWFLSA-N 338.407 4.090 0 1 EIAF CCCN1CN(CCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 27891520 SYPMKHCNHPDZJM-SFTDATJTSA-N 340.467 4.275 0 1 EIAF CC(C)(CCCOc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 28227882 IFYVGFZZXJZLRN-UHFFFAOYSA-N 326.392 4.187 0 1 EIAF CCc1c(C)[nH]c(=O)c(Br)c1Oc1cc(C)cc(C)c1 28818664 AUPSZJUMAFMRJR-UHFFFAOYSA-N 336.229 4.417 0 1 EIAF COc1ccc(C2=C(c3cccs3)C(=O)N3CCC[C@@H]3C2)cc1 40938026 TYWQKANTBRKAEZ-CQSZACIVSA-N 325.433 4.062 0 1 EIAF C[C@@H](c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C 66065976 OSJFHDCHORASQE-KRWDZBQOSA-N 340.515 4.076 0 1 EIAF CC(=O)Nc1cccc(Oc2cncc(NC3CCCCCC3)n2)c1 82068647 NMTOQPLNTDMZHK-UHFFFAOYSA-N 340.427 4.362 0 1 EIAF C[C@@H]1C[C@@H](C)c2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103182157 JLDWDDXDELGCMI-ZIAGYGMSSA-N 339.483 4.258 0 1 EIAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1/C=C\C(C)(C)O 140083620 GWHQUBFEZSVTKH-QXMHVHEDSA-N 336.387 4.253 0 1 EIAF CC(C)C(=O)Nc1ccc(SC[C@@H]2CCCN3CCCC[C@@H]23)nc1 504314489 SZPCATKYZXNXET-RDJZCZTQSA-N 347.528 4.033 0 1 EIAF biogenic O=C1CCC[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)CC1 586885123 XTTQUXXDRUTFOX-MRVPVSSYSA-N 325.181 4.081 0 1 EIAF COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Cl 587095526 IZCRAZMOXKTHCE-UHFFFAOYSA-N 341.720 4.493 0 1 EIAF Oc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134813 PBATXDJYFQTPRN-DUXPYHPUSA-N 326.224 4.134 0 1 EIAF O=C(O)c1coc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207019 OPMJVVGFKKFPEM-UHFFFAOYSA-N 341.322 4.404 0 1 EIAF CCc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587396362 JRFKKMTWZPJCOP-LJQANCHMSA-N 347.418 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O)cc1)CC2=O 587482990 QBHHTDDRJPZWGA-NRFANRHFSA-N 340.419 4.407 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cnccc1C)CC2=O 587488840 KPDLJNFGDHMLKB-HNNXBMFYSA-N 325.408 4.015 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(C)ccn1)CC2=O 587490580 YOFAUGPYGHWGFQ-FQEVSTJZSA-N 325.408 4.015 0 1 EIAF O=Cc1sc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510877 YPOMFSOOLOJVDQ-OAHLLOKOSA-N 330.380 4.285 0 1 EIAF CS[C@H](C)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587838289 BIVBZTSXQHEJRG-RFXMVYNHSA-N 332.282 4.305 0 1 EIAF Cc1cc2cc([C@@H]3NCCc4c(C)ccnc43)c(Cl)nc2cc1C 963070147 FDWBHYSGPIMVAJ-IBGZPJMESA-N 337.854 4.444 0 1 EIAF Clc1cc(Cl)c2c(c1)C1(NCC2)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@H]21 963110450 POBOXYMRYQSURK-VIPBJVAJSA-N 332.274 4.112 0 1 EIAF O=C(O)C[C@@H](c1cc(F)cc(-c2ccccc2F)c1)c1ncco1 1772612336 GTEPRRNRJVSSST-HNNXBMFYSA-N 329.302 4.226 0 1 EIAF COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CO 1772639746 ORXADDKXDVBPSH-UHFFFAOYSA-N 335.403 4.137 0 1 EIAF Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4ccccc4c3)C1=N2 1857747984 OKSOJBZDAYUMCG-JOCHJYFZSA-N 342.398 4.016 0 1 EIAF C[C@@H]1CCCCCCCCC(=O)OCCN1C(=O)OC(C)(C)C 36389246 PKTMISAMENDUSQ-OAHLLOKOSA-N 327.465 4.290 0 3 EIAF CCc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 222523 MLVBPASJEIAGND-IAGOWNOFSA-N 339.830 4.035 0 1 EIAF CNC(=O)Nc1nc2c(C)cccc2c2c1CCN2c1ccccc1C 13454983 ISIHCUVAGSTCGQ-UHFFFAOYSA-N 346.434 4.297 0 1 EIAF Nc1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1Cl 13476450 CGQHOYDSPWHJGW-UHFFFAOYSA-N 333.222 4.173 0 1 EIAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C)[C@H]2C)ccc1O 15264163 TZAAYUCUPIYQBR-ZBUHCNDUSA-N 328.408 4.075 0 1 EIAF endogenous,in-man C[C@H](Oc1ccc(Oc2nc3cc(Cl)ccc3o2)cc1)C(=O)O 26841895 NEMKSHQHJCMJBH-VIFPVBQESA-N 333.727 4.125 0 1 EIAF COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@H]1O2 35978571 DHGOPWYNAIGSII-GOEBONIOSA-N 326.417 4.293 0 1 EIAF Cc1ccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)cc1 40917487 MVFUWLHMBHELTF-UHFFFAOYSA-N 329.856 4.455 0 1 EIAF C[C@@H]1C[C@@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66136693 UIVXVKDVVGELNW-PZPWOCDFSA-N 339.410 4.403 0 1 EIAF CC(C)Oc1ccc(-c2nc3cc(C(=O)O)cnc3o2)cc1Cl 84670219 GIPLGGPOGWHPSQ-UHFFFAOYSA-N 332.743 4.029 0 1 EIAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccnc1 100632707 ZDZQRBHKHMWDSY-FQEVSTJZSA-N 333.391 4.258 0 1 EIAF CCc1cc(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)n(C)n1 103273868 UQMTXIMTXIIZRI-UHFFFAOYSA-N 349.434 4.013 0 1 EIAF CC[C@]1(C(=O)NCCc2ccccc2Cl)[C@H](C)C1(Cl)Cl 103296541 YRMDRJSPJRDRIM-IINYFYTJSA-N 334.674 4.219 0 1 EIAF O=c1oc(-c2ccc(O)cc2)cc(O)c1SCc1ccccc1 141120499 ZIKPTONHXJJYJH-UHFFFAOYSA-N 326.373 4.010 0 1 EIAF C[C@H]1CCCC[C@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 195407828 PKBWVJIIQVNWAZ-PNLZDCPESA-N 345.527 4.202 0 1 EIAF FC(F)(F)Oc1cc(Br)c2[nH]c(C3CCC3)nc2c1 586884522 OLDKMENMSCYBNA-UHFFFAOYSA-N 335.123 4.492 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2ncc(Cl)c(Cl)c2[nH]1 587071905 NHXQIBJEWCEOLZ-UHFFFAOYSA-N 340.597 4.344 0 1 EIAF CSc1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175839 WYKUNHWWQXKHDE-CQSZACIVSA-N 340.427 4.148 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 587233016 FYZFEIBVHVELAD-GXSJLCMTSA-N 337.370 4.002 0 1 EIAF NCc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587246893 YJSKXKWTJJQULU-UHFFFAOYSA-N 341.720 4.241 0 1 EIAF CC(C)C[C@@]1([C@@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523303 HVNZSMHKKIAULP-VGSWGCGISA-N 341.495 4.315 0 1 EIAF CC1(C)[C@@H]2OCCC[C@H]2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587534346 ZDQKTWWHIFZQIS-OZOXKJRCSA-N 326.436 4.104 0 1 EIAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587586852 KHVLCBBUBIIGNM-WIYYLYMNSA-N 347.370 4.053 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2)N1 587821954 YXLADXYCZKATMV-BTDLBPIBSA-N 348.215 4.024 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587963074 LHQGEGYRFKDJED-SFYZADRCSA-N 346.736 4.273 0 1 EIAF Cc1c(COc2ccc(CO)cc2)cccc1-c1cccc(CO)c1 1772624935 HBMXPAYXBDJGLA-UHFFFAOYSA-N 334.415 4.226 0 1 EIAF NCCN(C(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 1772632226 WDRCRXKZJGWAQJ-UHFFFAOYSA-N 343.641 4.252 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(oc(C)c2C)CC2=CCC[C@](C)(O)[C@@]21C 2356497315 KJSGMDITOKTFKQ-GIVPXCGWSA-N 344.451 4.481 0 1 EIAF CC=Cc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](C)O2 2356507784 HDXJIAOVHJAFLG-HXPMCKFVSA-N 342.391 4.344 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CO[C@H](C1)O2 13609194 MBYLQCWDOYEQRA-PKOBYXMFSA-N 325.364 4.002 0 1 EIAF Cc1ccc(C(=O)O[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684956 VDEDWPDDQONWTN-SFHVURJKSA-N 331.843 4.498 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 26396893 ZAZGULUMJMBMJD-FCOYLTGOSA-N 331.500 4.009 0 1 EIAF O=C(CC1CCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1 71317132 LMLBJKHEALDLPO-UHFFFAOYSA-N 345.468 4.084 0 1 EIAF COc1ccccc1-n1c(C)cn(C(=O)c2cccc(C)c2)c1=S 98083789 WJDYTJNBPWWNBA-UHFFFAOYSA-N 338.432 4.322 0 1 EIAF Cc1c(C)c(O)c(/C(=C/CCCC(=O)O)c2cccnc2)c(C)c1O 169712474 ILHHWMSWSYYXCY-LZYBPNLTSA-N 341.407 4.105 0 1 EIAF N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl 587055437 CEQOYAPVPWVELE-JTQLQIEISA-N 341.629 4.161 0 1 EIAF Nc1ccc(F)c(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587141450 SWBCFSWTDVDYBB-UHFFFAOYSA-N 341.333 4.487 0 1 EIAF Cc1ccc(/C=C/c2nc3ccc(Br)nc3[nH]2)cc1F 587146269 GSARZTPJKFWHLQ-QPJJXVBHSA-N 332.176 4.338 0 1 EIAF Cc1ccc(NC2(c3nc4c(Cl)ncnc4[nH]3)CCCC2)cc1 587236877 GWKZBUZXQULIEG-UHFFFAOYSA-N 327.819 4.196 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4cccc(Cl)c4C1)[C@@H](C2)C3=O 587420060 GQFLFNJFDFSCGT-YWZLYKJASA-N 340.806 4.024 0 1 EIAF CC(C)OCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791620 KFBBDHDTSCNNCT-ZBEGNZNMSA-N 344.268 4.153 0 1 EIAF CC[C@]1(Cc2nc3cncc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960381 LEOADTOPLZJTNY-LJQANCHMSA-N 339.826 4.379 0 1 EIAF C/C=C(\NNc1ccc(F)cc1)c1ccc(Br)cc1O 957654214 MGTQHTNLWQQLFV-VVHNFQOZSA-N 337.192 4.271 0 1 EIAF NC(=O)c1cnc2ccc(-c3cccnc3)cc2c1SC1CCCC1 1857608542 NLZAONPHATZEGO-UHFFFAOYSA-N 349.459 4.430 0 1 EIAF CC(C)c1[nH]nc2c1[C@H](c1ccccc1)N(Cc1ccccc1)C2=O 199730175 XQBQAKOQCOJIPQ-FQEVSTJZSA-N 331.419 4.279 0 3 EIAF COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)OC)cc1 1540534 MICNQIPYZOAYBU-UHFFFAOYSA-N 328.408 4.420 0 1 EIAF CCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(CC)c21 13586484 OSAMVFGPESOETD-SFHVURJKSA-N 335.831 4.427 0 1 EIAF CCCCCNCC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 26503678 JHHGXPAXHMPAAB-HWIFMZGASA-N 337.504 4.151 0 1 EIAF FC(F)(F)c1ccc(NC(=S)NCCC2=CCCCC2)nc1 26657482 VYPUCGDIZFTIPV-UHFFFAOYSA-N 329.391 4.277 0 1 EIAF COc1ccc(C[C@H]2c3cccc(Cl)c3CCN2C)cc1OC 28461969 QVFKFMGADFIGEA-KRWDZBQOSA-N 331.843 4.129 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 34801435 ZAZGULUMJMBMJD-RIHITMGFSA-N 331.500 4.009 0 1 EIAF Cc1ccc(Cc2ccc(=O)[nH]n2)cc1Oc1cccc(Cl)c1 40917987 UVQPNTPLOKSCSW-UHFFFAOYSA-N 326.783 4.115 0 1 EIAF CN(C)c1ccc(-c2cc3cc(OCCCF)ccc3oc2=O)cc1 71318805 FAFQBCGHEZULIT-UHFFFAOYSA-N 341.382 4.264 0 1 EIAF C=CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)OC1 82157854 IECTVXRIRJHNRI-HXUWFJFHSA-N 335.403 4.196 0 1 EIAF CCNC(=O)/N=c1/[nH]c2ccc(-c3c(Cl)cccc3Cl)cc2[nH]1 95603665 YJSGCDMQUMTAAB-UHFFFAOYSA-N 349.221 4.100 0 1 EIAF C[C@H]1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144780155 LPALECKBLVYOGR-SGTLLEGYSA-N 333.353 4.311 0 1 EIAF Cc1cc2ccccc2n1CCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 169348260 DGXRCWWIWJRLOC-OALUTQOASA-N 336.410 4.009 0 1 EIAF Oc1ccc(C2(c3nc4cc(Br)c(F)cc4[nH]3)CC2)cc1 586899120 UGRHPYPDIGCLSQ-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF CCOC(=O)Cc1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587058511 HBDULNXIFRMGQM-UHFFFAOYSA-N 342.826 4.107 0 1 EIAF COC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073640 KJWCFHJWEYWYFB-UHFFFAOYSA-N 340.810 4.277 0 1 EIAF CCOC(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107715 UGRRMHGPXHCUJO-INIZCTEOSA-N 343.382 4.039 0 1 EIAF COc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1OC 587152331 LWMDAEMDBAOANC-QWRGUYRKSA-N 330.334 4.129 0 1 EIAF O=C1C[C@]2(CCC[C@H]([C@@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 587536879 XUWFXUQGBWWGBI-GSHUGGBRSA-N 340.463 4.496 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccn2)N1 587774746 XHZBUAWJPABDCC-IAQYHMDHSA-N 349.247 4.191 0 1 EIAF Cc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1C 587873916 PHXBOMLVHWZXOJ-UHFFFAOYSA-N 338.338 4.131 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 587930727 GBPUIULNGWHBQK-UHFFFAOYSA-N 330.391 4.070 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587952362 POIMIZDORUVHCH-HQQPKKBNSA-N 330.432 4.333 0 1 EIAF Cc1cc2c(cc1C)[C@]1(CCCO2)NCCc2cc(C)c(F)cc21 962144452 LAJLFLUJZOUSNX-OAQYLSRUSA-N 325.427 4.313 0 1 EIAF C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccc(O)cc3c2)cc1 1857549103 SYKPPPSVCZHVPJ-UHFFFAOYSA-N 339.416 4.021 0 1 EIAF Nc1ncccc1-c1cc(Cc2ccc(Cc3ccco3)cc2)no1 1857594749 ZKZKXLZMVHDDLZ-UHFFFAOYSA-N 331.375 4.093 0 1 EIAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@H](N)C2 2356775732 QGIOCPSTZPMMEK-QRKDNUDJSA-N 343.511 4.416 0 1 EIAF CC(C)N(C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1)C(C)C 4664728 PKKSQJWEZOZUAW-AQTBWJFISA-N 337.423 4.142 0 3 EIAF CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C1 90950 IEYUCRZSUAMOGP-UHFFFAOYSA-N 332.403 4.400 0 1 EIAF CCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@@](C)(CC)O3 6808093 MVTIRQHWPVNWJA-LJQANCHMSA-N 329.396 4.015 0 1 EIAF CCOc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCC 13676226 RXOKOKWXZNENPQ-UHFFFAOYSA-N 327.359 4.310 0 1 EIAF CC[C@H](O)c1cc2cc(OCC(=O)O)c(Cl)c(Cl)c2s1 26394672 AKYAGMZSDFCEHA-ZETCQYMHSA-N 335.208 4.115 0 1 EIAF Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1[S@](C)=O 27307792 VDSOIZJVNHZGRI-JOCHJYFZSA-N 326.446 4.262 0 1 EIAF CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@@H]1N(C)C 28238662 VNZSGKMAKZYOGZ-LSDHHAIUSA-N 329.271 4.219 0 1 EIAF COc1ccc(-c2nc3ccc(F)cn3c2NC2CCCC2)cc1O 43071152 KKAVAXOTDZPTLU-UHFFFAOYSA-N 341.386 4.209 0 1 EIAF COc1ccc(Oc2cc(N3CC=CCC3)ncn2)c2ccccc12 82067877 VJUBIXYELHTMJO-UHFFFAOYSA-N 333.391 4.197 0 1 EIAF CC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(Cl)cc2)no1 147443877 BAUZVWBSZFLVIL-CQSZACIVSA-N 347.846 4.233 0 1 EIAF O=C1c2cnc(COc3ccccc3)cc2CCN1c1ccc(F)cc1 169326804 ZTPPXMOJTPBYSE-UHFFFAOYSA-N 348.377 4.003 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 586909523 FHMQJAHJTVMIGQ-KCJUWKMLSA-N 327.197 4.137 0 1 EIAF Cc1ccc(SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1 586964213 YTTICVUADBOPIC-QGZVFWFLSA-N 326.425 4.196 0 1 EIAF COc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1OC 587027293 AOTVQNIYXDXVQD-UHFFFAOYSA-N 340.408 4.007 0 1 EIAF COc1cc(Cl)ccc1-c1nc2cc(Br)ncc2[nH]1 587065980 BWYYYLDRMIYRTC-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O 587103688 IKXOJKRDWXEIFU-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF FC(F)(F)c1cncc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587115060 FJTPFPAVWZLMFS-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587155878 NYCGBGLXCXHCEB-MRXNPFEDSA-N 339.370 4.117 0 1 EIAF Cc1cccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587203655 GODBZBPYJYNBPR-AWEZNQCLSA-N 331.460 4.353 0 1 EIAF Nc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Br 587208514 SMKUBTISUGXADZ-UHFFFAOYSA-N 325.209 4.345 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1N(C)C)O2 587373617 FJROZBMEGHLLES-INIZCTEOSA-N 330.815 4.003 0 1 EIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1SC 587408646 HHWVXTCNZPEQIN-MRXNPFEDSA-N 329.421 4.014 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Cl)cc1C)[C@@H](C2)C3=O 587420794 IZDXGCCXLQUFAA-LIRRHRJNSA-N 328.795 4.454 0 1 EIAF CCCC[C@@]1(CCCCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587447939 WWJMYGDYPYZPJA-QRWLVFNGSA-N 346.423 4.017 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(O)cc1C)CC2=O 587487755 IFHTYBKLXPQCHM-SFHVURJKSA-N 326.392 4.374 0 1 EIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501592 CEGWMDZAXPIKOA-LJQANCHMSA-N 326.367 4.420 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@H](N)C(=O)O)c2c1 587642091 JFCNFXVCZAMSFY-ZMZPIMSZSA-N 337.423 4.015 0 1 EIAF COC[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796738 UYJVYOGPMQYRIH-MEDUHNTESA-N 344.268 4.010 0 1 EIAF COc1ccc(/C=C\Cc2nc3ccc(Cl)cc3[nH]2)c(OC)c1 587929694 OUNAFVLBHAUXAV-ARJAWSKDSA-N 328.799 4.489 0 1 EIAF COC(=O)[C@H]1CCCC[C@]12NCCc1cc(-c3ccccc3)ccc12 962663172 GAPBLTLPFRZFQO-IFMALSPDSA-N 335.447 4.058 0 1 EIAF c1ccc2c(c1)Cc1cc([C@@H]3NCCc4nc5ccccn5c43)ccc1-2 962988776 YQWLMDVAZZFVHG-QFIPXVFZSA-N 337.426 4.141 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCCN(C(=O)OCC)CC2 963228227 LDRQSFWLFYGLPJ-UWJYYQICSA-N 344.499 4.181 0 1 EIAF O=C1c2c(O)cccc2Cc2ccc(CCc3ccccc3)c(O)c21 13490515 NGDMVDCVGQRHGU-UHFFFAOYSA-N 330.383 4.018 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2 28825435 RJSPORZIBKRWHU-DFNIBXOVSA-N 340.423 4.048 0 1 EIAF CCO[P@@](=O)(NCC(C)C)Oc1ccc(C(F)(F)F)cc1 72124357 KHDSQAFRZJSLOJ-NRFANRHFSA-N 325.267 4.474 0 1 EIAF O=C(O)c1cccc(-c2nc(-c3ccccc3C(F)(F)F)no2)c1 72139742 MHRXWHNWJALMJW-UHFFFAOYSA-N 334.253 4.121 0 1 EIAF Nc1nc(Cc2ccco2)c2c(n1)/C(=C/Cc1ccco1)CCCC2 72175241 RTYVYBLSWIJWPE-NTEUORMPSA-N 335.407 4.188 0 1 EIAF CO[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 95586576 ZREKTMNXUFQZAY-IXYLRAAXSA-N 325.452 4.327 0 1 EIAF COc1ccc(N(C)c2nc(Cl)ccc2C(=O)OC(C)C)cc1 95593667 TWWGJICYHSASDN-UHFFFAOYSA-N 334.803 4.077 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586879157 JBOLTNBBYCEBLB-HJWRWDBZSA-N 332.281 4.347 0 1 EIAF Brc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586885052 TZEVPEXFUNGMDY-ZGNZKYAMSA-N 332.245 4.188 0 1 EIAF Cc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002377 DPPRLXCFSCZYCH-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(C(=O)O)c2[nH]1 587012564 SZEUUWNMLRDGAP-UHFFFAOYSA-N 349.415 4.284 0 1 EIAF COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Cl)c1O 587045867 HOITYCIOEOYSAN-UHFFFAOYSA-N 346.667 4.154 0 1 EIAF O=C(O)c1cc(Br)cc2nc(C3(F)CCCCC3)[nH]c12 587131346 GTHPEOFSOUDHLY-UHFFFAOYSA-N 341.180 4.153 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 587160080 FSFAIXMNXBDEIX-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF O=NCc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587190088 JDSXDNRJYLRMCI-UHFFFAOYSA-N 334.148 4.398 0 1 EIAF CC(C)(C)OC(=O)N1CCCc2nc3cccc4c3c(c2CC1)CC4 587213270 UVLLMCXGZABGRF-UHFFFAOYSA-N 338.451 4.059 0 1 EIAF CC(=O)N[C@H](Cc1nc2cc3ccccc3cc2[nH]1)c1ccc(C)cc1 587216475 BVEREPNBZZCHLB-LJQANCHMSA-N 343.430 4.444 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c1C 587238852 GIWXSNOMAISPAH-UHFFFAOYSA-N 336.439 4.053 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(F)cc1)O2 587386425 YDVYWLULWUCDFB-IBGZPJMESA-N 336.366 4.214 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O 587423840 ZVUQBEZEDANLDO-SGTLLEGYSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CCO[C@H]2C12CCCC2 587492676 RRFKIIADTBXBSC-DLVCFXQMSA-N 342.435 4.028 0 1 EIAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587607021 GPIQCBFNSOYSJJ-UTKZUKDTSA-N 348.354 4.109 0 1 EIAF COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629611 DYAILGXIYDSCTM-UHFFFAOYSA-N 345.626 4.401 0 1 EIAF CCS(=O)(=O)c1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1 587967823 SUQRCWXIPMJJHQ-CHWSQXEVSA-N 334.485 4.286 0 1 EIAF CCOc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O 653822791 AVNJXMDNLVPHGQ-YORMDBTCSA-N 348.439 4.065 0 1 EIAF Cc1cc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cnc1Cl 963118930 XXTKTLUFAGTFHW-KXBFYZLASA-N 330.834 4.467 0 1 EIAF CC=CC(=S)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356397681 HHPQBRSGRYPIDJ-FPEJHWISSA-N 334.481 4.363 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@H]1C 2356748609 KLFDWNXGESKDJI-ZEPOWFQYSA-N 344.451 4.418 0 1 EIAF CN(C)C[C@H]1C[C@H]2c3ccccc3Cc3cccc(Cl)c3N2O1 13437104 IRIGJBAWLKWASO-QAPCUYQASA-N 328.843 4.057 0 1 EIAF CC[C@@H]1CCCN(CCc2c([C@@H](C)C(=O)OC)[nH]c3ccccc23)C1 14693903 MDMQSLUDGHJHNV-HZPDHXFCSA-N 342.483 4.109 0 1 EIAF biogenic O=C(Nc1ccccc1)N1CCC(c2ccccc2)(c2ncc[nH]2)CC1 28566249 VTJBQJWBRDVWQF-UHFFFAOYSA-N 346.434 4.024 0 1 EIAF COc1ccc2c(c1)CCc1cc(Nc3ccccc3N)ccc1C2=O 95575439 BZFJENNTTOAOKN-UHFFFAOYSA-N 344.414 4.351 0 1 EIAF NC(=S)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1 96915580 UAWUBIOHSLQWDB-UHFFFAOYSA-N 347.365 4.192 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1ccc3c(c1)oc1ccccc13)C2 100872911 IBPVOWRUOFHHKZ-HUUCEWRRSA-N 335.403 4.368 0 1 EIAF CC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)[C@H]1c1ccccc1 101778605 VPYHAOJKKWYIJU-GOSISDBHSA-N 343.373 4.473 0 1 EIAF CC[C@@]1(C(=O)NCCc2ccccc2Cl)[C@@H](C)C1(Cl)Cl 103296549 YRMDRJSPJRDRIM-YGRLFVJLSA-N 334.674 4.219 0 1 EIAF Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)cn3C)nc2c1 113424385 LGLSQXUUCXCQDS-UHFFFAOYSA-N 349.463 4.039 0 1 EIAF Oc1c2c(c(O)n1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@H]2O1 169727188 FXVDOJULZSNMCT-NXEZZACHSA-N 345.704 4.467 0 1 EIAF FC(F)(F)c1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1 223800397 ISYVOPVTYLSBCE-UHFFFAOYSA-N 340.308 4.477 0 1 EIAF Fc1cc2[nH]c(-c3cnc(Cl)s3)nc2cc1Br 587022897 DFJKCEPEFJCJBB-UHFFFAOYSA-N 332.585 4.241 0 1 EIAF Cc1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c(C)n1 587093700 QODOWVVYMRAVJZ-UHFFFAOYSA-N 338.358 4.291 0 1 EIAF Cc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl 587156692 PCWLCLCSXLVVKM-GOSISDBHSA-N 343.789 4.455 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(C(F)(F)F)c1)O2 587382086 NMZAJVMRJVTNAV-HNNXBMFYSA-N 337.297 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cc(O)ccn3)c1)O2 587394638 XJYASSKYQGVBJH-FQEVSTJZSA-N 346.386 4.051 0 1 EIAF CCn1ncc(Cl)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500008 LBULUGIJOZMGBU-IBGZPJMESA-N 344.842 4.316 0 1 EIAF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccco1 587516434 STPJMMIBJFKICI-FQEVSTJZSA-N 348.402 4.265 0 1 EIAF C[C@H]([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C 587601127 DXADPGAEHUVIMY-SMNXXWJPSA-N 326.392 4.405 0 1 EIAF CC[C@]1(c2c(F)cccc2F)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963630159 BZFWVASABXVVLY-YUNKPMOVSA-N 347.405 4.170 0 1 EIAF COc1cccc(-c2nc3ccnc(NCc4ccccc4)c3[nH]2)c1 1857601799 BCWMKCCTTMTGKY-UHFFFAOYSA-N 330.391 4.246 0 1 EIAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc(F)cc3F)oc2c1 1911585428 MFMCNUFYWUBLKI-QHCPKHFHSA-N 337.262 4.343 0 1 EIAF C=C(O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C)C(C)=CC 2356735560 JMQSXOUTISUKMD-KRWDZBQOSA-N 326.392 4.372 0 1 EIAF O[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nc3ccccc3n21 5544073 KZVAORHWOZQQCC-FQEVSTJZSA-N 332.790 4.412 0 1 EIAF COC(=O)[C@H](CC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 6384964 KTTWMXBEEVXUSC-OAHLLOKOSA-N 346.386 4.179 0 1 EIAF CCC(=O)N1CCOc2c(cc(-c3cccc(Cl)c3)cc2OC)C1 12165610 GUHTUBZTUVSILZ-UHFFFAOYSA-N 345.826 4.147 0 1 EIAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNCCc1ccccc1)O2 13651348 YWBRJQBAZAOYNP-QFIPXVFZSA-N 339.479 4.233 0 1 EIAF CN1CCN(c2nc3ccccc3c3c2CC[C@H]2CCCC[C@H]32)CC1 13797046 AFZCODAIYOWGDR-SJORKVTESA-N 335.495 4.207 0 1 EIAF CCOc1cc2c(cc1O)CCC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26478912 YKWFKECYXRUOES-XJLXEZPNSA-N 330.468 4.398 0 1 EIAF Cc1cc(NC(=O)Nc2ccc(F)cc2C(=O)O)c2ccccc2n1 35049764 WZMKNBPBMYEHLJ-UHFFFAOYSA-N 339.326 4.025 0 1 EIAF Oc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1 40893642 LDMSFYNGFVTKRW-UHFFFAOYSA-N 338.314 4.068 0 1 EIAF Cc1ccnc(SC(F)(F)c2nc3c(Cl)cccc3o2)n1 73163352 KQEDOALLZZUVOS-UHFFFAOYSA-N 327.743 4.421 0 1 EIAF CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@@H](C(C)C)[C@@H]1c1ccco1 103280406 TWQXBWZOUPOFDV-BKTGTZMESA-N 329.396 4.139 0 1 EIAF Fc1ccccc1CNc1nc(N2CCCCC2)nc2ccccc12 141017708 GHWFAXZIPQWSDL-UHFFFAOYSA-N 336.414 4.371 0 1 EIAF Clc1ccc(NCc2ccc3cc2OCC#CC=CC#CCO3)cc1 253659932 LDUAKNXNPBWKRK-UHFFFAOYSA-N 349.817 4.286 0 1 EIAF COc1cncc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587077188 STIBSVBPCBKLPO-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF CCN(CC)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104357 QPDKEEOOEVINSS-UHFFFAOYSA-N 330.431 4.331 0 1 EIAF Cc1c(-c2nc3ccc(CO)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165757 CGMQVWYLYTYYOA-UHFFFAOYSA-N 335.382 4.175 0 1 EIAF Cc1cc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c(C)n1 587235166 FXTYHYIAEJMLQW-ZIAGYGMSSA-N 344.459 4.126 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccco3)n1)O2 587415134 XOKTXNBUBGNXBX-OAHLLOKOSA-N 326.377 4.000 0 1 EIAF COc1cc2c3c(c1)OC1(CC(c4cccc(Cl)c4)C1)[C@@H](C2)C3=O 587421577 UOLXSJHERDMYTF-FOCKTWCOSA-N 340.806 4.412 0 1 EIAF CCOc1ccc2[nH]cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 587436873 BTTHIBKELMPTAM-QVKFZJNVSA-N 349.386 4.064 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(C)sc31)CC2=O 587495640 PPELNUQSHUZHIE-IBGZPJMESA-N 343.448 4.307 0 1 EIAF C[C@@]1(CN2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514322 NPRZFWNUQVMFSB-NRFANRHFSA-N 327.468 4.165 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@H](O)CC 587860417 UFJYWSZYOXLKDX-LLVKDONJSA-N 329.227 4.027 0 1 EIAF COc1cc(C)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946481 VKYYGHQQTSXKSO-MRXNPFEDSA-N 329.371 4.465 0 1 EIAF CCc1ccc(C(=O)CCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 587955753 NIRMQUTVKZXJDJ-UHFFFAOYSA-N 327.815 4.298 0 1 EIAF CCOC(=O)c1coc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962665446 HYCLFULEGWRDRP-OAQYLSRUSA-N 347.414 4.358 0 1 EIAF Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)cnc34)cc2c1 1772581938 FFKHUSNRDZTBEK-UHFFFAOYSA-N 336.248 4.144 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C3(C[C@]12C)N=N3 1857641103 XTYPPDSIUKPGGA-NHQGGFKJSA-N 344.499 4.367 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1O)O2 1857767705 WGCZHZMDOQWSJZ-QGZVFWFLSA-N 340.375 4.019 0 1 EIAF CCCCC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 1857770719 JWTCNQGCQQMNNJ-OAHLLOKOSA-N 328.243 4.053 0 1 EIAF COC(=O)C1=CCCC(C)=C[C@@H]2OCC(C)=C2C[C@@H](O)C(C)=CCC1 2356455296 OCECFDGDAVQDAG-UXHICEINSA-N 346.467 4.019 0 1 EIAF C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(F)cc3)C2)[C@H]2CCCCN12 203468482 IBAVRLDMJAPXKD-KISNFGTJSA-N 332.419 4.026 0 3 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 13443772 FMPNFDSPHNUFOS-LYTIHPTOSA-N 345.527 4.419 0 1 EIAF COc1ccc2c(c1)NC(=O)Cc1c-2[nH]c2ccc(C(F)(F)F)cc12 13532092 KOCOMOINJCQZSQ-UHFFFAOYSA-N 346.308 4.357 0 1 EIAF CCC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610508 GRCGVPUKGASCIA-QBJFQFBKSA-N 342.479 4.205 0 1 EIAF O=C1c2ccc(F)cc2CC[C@@H]1C1CCN(Cc2ccccc2)CC1 13734306 PUCXFSMSFDBYFD-HXUWFJFHSA-N 337.438 4.483 0 1 EIAF COc1cc2c(cc1OC)C(Nc1cccc(Cl)c1)=NC(C)(C)N2 26389591 PUABVLLUNPGSTN-UHFFFAOYSA-N 345.830 4.378 0 1 EIAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1 29551528 BKNJMUFKPUHRFM-UHFFFAOYSA-N 346.390 4.172 0 1 EIAF C[C@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccncc1 29557246 RJLWFRLLAXAHSU-XQBPLPMBSA-N 338.495 4.361 0 1 EIAF C[C@H]1SCN(CCCCNc2ccnc3cc(Cl)ccc23)C1=O 35091192 GMTKIVZMKLOISX-GFCCVEGCSA-N 349.887 4.002 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C1[C@@H](F)C[C@@H]1F 40423813 DYKGTVVHHZGYQR-MWODSPESSA-N 338.206 4.016 0 1 EIAF CCCC[C@@]1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O 40917629 JWWHPQBXODTPRK-HNNXBMFYSA-N 329.227 4.276 0 1 EIAF CSc1ccc(CNc2nc(SC)nc3ncccc23)cc1 73199681 GZSWPVJNJIFDMD-UHFFFAOYSA-N 328.466 4.081 0 1 EIAF CN(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCCF 84653328 VASQEHCFVIZSPK-ZSYWTGECSA-N 338.898 4.198 0 1 EIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccccc3)C2)cc1C 95578460 LRGKBNQGXSOHEP-SFHVURJKSA-N 349.459 4.084 0 1 EIAF CCC[C@H](C)c1c(O)n(CC)c(SCc2ccccc2)nc1=O 103571478 KJEMPOKZFAIKET-ZDUSSCGKSA-N 332.469 4.165 0 1 EIAF Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1cccc(C=O)c1 117461375 OQUQSQIAKNKULR-UHFFFAOYSA-N 348.793 4.136 0 1 EIAF C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@@H]1CN1 118933926 KRFWHRJXDKUGAA-WKXNZHCISA-N 329.528 4.288 0 1 EIAF Cc1ccc(C(=O)C[C@@H]2C(C#N)=C(N)Oc3ccc(Cl)cc32)cc1 138806341 WWEUXUIPZXOIMZ-AWEZNQCLSA-N 338.794 4.091 0 1 EIAF COC(=O)[C@@]1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)CCC1=CC(=O)OC1 169378401 OGGDWNYFVSIVRK-DLPLYFIVSA-N 346.467 4.346 0 1 EIAF CC(C)N(CCS[C@H](N=O)C(=O)c1ccc(Cl)cc1)C(C)C 169713391 AQQAKVYHGAWUDW-INIZCTEOSA-N 342.892 4.467 0 1 EIAF COc1cc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)ccc1O 238752489 JPDORDSJPIKURD-ZDEMKHDWSA-N 342.391 4.214 0 1 EIAF C/C=C1\[C@@H](OC)O[C@@H]2C[C@H]1C[C@H]1c3c(c4ccccc4n32)CCN1C 238787660 JBSGCOASAIDQQP-MOEISGRGSA-N 338.451 4.028 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CCCC=C12 253665504 OVURERDJMLXMHG-NBASUNCFSA-N 330.468 4.450 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)C2 586888787 YKLLUWRFBHYFRB-GARJFASQSA-N 336.313 4.100 0 1 EIAF COc1cccc2nc(-c3cnc(C)c(Br)c3C)[nH]c12 586979673 UDSMGXGIURYDRI-UHFFFAOYSA-N 332.201 4.013 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587132613 FOUUGDREWCRSCI-UHFFFAOYSA-N 344.239 4.415 0 1 EIAF Fc1c(F)c(F)c(/C=C\c2nc3cc(Cl)cnc3[nH]2)c(F)c1F 587135364 XWLDJPSAKZFGIS-UPHRSURJSA-N 345.658 4.477 0 1 EIAF Nc1ccc(F)c(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587140588 DIMFXIJIHYBJPL-UHFFFAOYSA-N 327.256 4.033 0 1 EIAF Cn1ccnc1COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210963 IXHMUXZETUDTRH-UHFFFAOYSA-N 341.414 4.313 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COC)cc1)CC2=O 587480674 OOIKIWHQHLPIQH-LJQANCHMSA-N 326.392 4.198 0 1 EIAF CC[C@]1([C@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523611 LEWCIHCLQGZFHP-GHTZIAJQSA-N 344.451 4.125 0 1 EIAF COC(=O)[C@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525642 QZFJRFSDYSMLSG-DYESRHJHSA-N 342.435 4.023 0 1 EIAF C[C@]1(c2c[nH]c3cccnc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526451 RMGKRRHMMBXKBO-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF CNc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743379 OKHNNRGSWNJSNA-QGHHPUGFSA-N 349.247 4.254 0 1 EIAF COC[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796737 UYJVYOGPMQYRIH-BZNIZROVSA-N 344.268 4.010 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccnc1 587865992 RZZGUXAMWVYWAO-UHFFFAOYSA-N 347.340 4.411 0 1 EIAF Cc1cc(OC(C)(C)C)n(-c2cccc(Br)c2N)c1O 587937881 ZZAHJYRPXVDGFD-UHFFFAOYSA-N 339.233 4.013 0 1 EIAF CC(=O)C[C@@]1(c2ccccc2F)c2c(F)cccc2C[C@H]2CCCN21 963092261 AMIWPYGMOZOOJB-IIBYNOLFSA-N 341.401 4.208 0 1 EIAF O[C@H](CNCCCCc1ccccc1)c1ccc(Br)cc1 1857654821 UTUJRKAFRKWGSM-GOSISDBHSA-N 348.284 4.095 0 1 EIAF C=CC(=C)c1cc(-c2coc3cc(OC)cc(O)c3c2=O)ccc1O 2356725105 IVUUJJYAIZXUGX-UHFFFAOYSA-N 336.343 4.079 0 1 EIAF COc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC 2046959 FUSDVOSGGMBSMK-UHFFFAOYSA-N 327.409 4.113 0 1 EIAF in-vivo Cc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5891916 YTGFGCMQIQOFQF-UHFFFAOYSA-N 337.206 4.225 0 1 EIAF C=C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21C 26293727 JAOFIBKJPAHQNQ-VTKCIJPMSA-N 327.468 4.462 0 1 EIAF COc1cccc(C(=O)N2CCCC2)c1O[C@H](C)c1ccccc1 28525218 OTDRFFRAOONOKL-OAHLLOKOSA-N 325.408 4.071 0 1 EIAF Clc1ccc(CN2CCc3ccccc3[C@@H]2Cn2ccnc2)cc1 28761636 YHGBBDADLSBHAB-FQEVSTJZSA-N 337.854 4.336 0 1 EIAF Cc1c2c(c(C)n1-c1ccccc1Cl)[C@](C)(C(N)=O)CC2(C)C 39215385 BXBIAVIKLIDHID-LJQANCHMSA-N 330.859 4.172 0 1 EIAF O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc21 40394673 NDNLAKUCQXQERZ-UHFFFAOYSA-N 339.700 4.088 0 1 EIAF CSc1cccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)c1 117721132 JQSSFQXHUSWAAS-MRXNPFEDSA-N 326.465 4.128 0 1 EIAF CSCSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169361829 WWCOUQDEXRRTEL-MJUGPFCASA-N 330.515 4.035 0 1 EIAF CCOc1nn(-c2ncc(CC)cn2)c(C)c1Sc1ccccc1 299865900 OHHDWCJESIPUKX-UHFFFAOYSA-N 340.452 4.083 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cnc3ccccc3c2[nH]1 586882396 RJDGCSOQNABVQE-UHFFFAOYSA-N 343.386 4.040 0 1 EIAF OCc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 586895343 FMYAJUWBLZAARM-UHFFFAOYSA-N 326.705 4.394 0 1 EIAF Cc1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)oc2c1[C@@H](O)CCC2 586905311 KHHBUSLOBSCLFM-QMMMGPOBSA-N 338.194 4.203 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(F)cc2[nH]1 586963591 OVJOFQNTVGARSI-CYBMUJFWSA-N 332.404 4.058 0 1 EIAF COc1cc(/C=C\c2nc3ccc(O)cc3[nH]2)ccc1Br 586977457 PAFRSQKCXIZRLP-CLTKARDFSA-N 345.196 4.210 0 1 EIAF Cc1nc(C)c(Cc2nc3ccc(Br)c(F)c3[nH]2)s1 587012695 RUCVQKWBHWTFIX-UHFFFAOYSA-N 340.221 4.129 0 1 EIAF COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1C 587135370 YLFIMUISLYIVNG-UHFFFAOYSA-N 342.317 4.392 0 1 EIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(F)c2[nH]1 587201800 VJSPQOFDTYZISZ-UHFFFAOYSA-N 335.423 4.283 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccc(F)c3)no1)O2 587384592 NDTLGPKHOKKSQZ-KRWDZBQOSA-N 338.338 4.078 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)cn1)O2 587393788 MJCDVJCGRHXXNO-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c3ccsc3c1)O2 587415215 QNLMRPKRORUFSS-INIZCTEOSA-N 325.389 4.204 0 1 EIAF O=C(O)c1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587506853 QEJQBLSHVUYRIK-GOSISDBHSA-N 340.350 4.109 0 1 EIAF CCn1c(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577051 LRARPPCGQBVFPR-WIYYLYMNSA-N 349.386 4.225 0 1 EIAF CC(C)C1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819456 ICOGZWXHWFLHPF-WCVRRQIGSA-N 326.253 4.384 0 1 EIAF COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccco2)cc1 653729343 TVNIOUPUEVPUTG-LJQANCHMSA-N 346.386 4.280 0 1 EIAF COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3)n2c1 199365478 XRCYTIOJXZRTNT-UHFFFAOYSA-N 342.398 4.379 0 3 EIAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](C)C(C)C 776232 BKMMNAIVRSJLOD-ZDUSSCGKSA-N 344.455 4.422 0 1 EIAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)c1csc2c1CC[C@@H](C)C2 5070272 SSDAVWGNVXMOGB-PMPSAXMXSA-N 348.556 4.256 0 1 EIAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1(C)C 22579019 XUGAKTCCCDRKAF-LEWJYISDSA-N 338.470 4.428 0 1 EIAF Cc1cccc([C@H]2NC(C(C)(C)C)=N[C@H]2c2ccc3nccnc3c2)n1 28656365 WWBGXAKQOUEKBM-RBUKOAKNSA-N 345.450 4.163 0 1 EIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1NCc1ccncc1 28957055 GJNHEQOPSNWTAY-MSOLQXFVSA-N 343.858 4.022 0 1 EIAF CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c[nH]c2ccccc12 29061811 HFAMCYMVADGFHP-UHFFFAOYSA-N 347.370 4.099 0 1 EIAF CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1ccccc12 33943511 RHTZDVPVGDDBTM-SQSKXRONSA-N 340.467 4.205 0 1 EIAF in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nonc1-c1ccccc1 34083714 AFMFPTRBDGBFRT-UHFFFAOYSA-N 348.284 4.399 0 1 EIAF CC(C)c1c(N)cc2c(c1N)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40976785 NXNIIPKCJZYFSW-CDHQVMDDSA-N 330.472 4.069 0 1 EIAF FC(F)(F)c1ccc(-c2nc(Cn3ncc4c3CCCC4)co2)cc1 72184892 VXXBSXAIPONVAU-UHFFFAOYSA-N 347.340 4.484 0 1 EIAF O=C1CCc2cc([C@H](c3ccccc3)c3cccnc3)cc3c2N1CC3 95597567 HIKPYRJBXFYBLG-JOCHJYFZSA-N 340.426 4.097 0 1 EIAF CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Cl)c2)c1 96175676 XCMOYPMGWIKMQN-UHFFFAOYSA-N 338.798 4.150 0 1 EIAF COc1cc2c(cc1Br)CC[C@H]1[C@@H](c3ccncc3)[C@H]21 100025641 BKRNEVWSNKCMMT-VUCTXSBTSA-N 330.225 4.296 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43/C=C\Cl)[C@H]1CC[C@@H]2O 253638757 PHKKCWVLOCDAJQ-JCIVZLBRSA-N 336.903 4.404 0 1 EIAF CCOC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473107484 JICUKYCTZYSDBQ-QGZVFWFLSA-N 328.799 4.150 0 1 EIAF CCc1ccc(-c2nc(-c3nc4cc(N)c(N)cc4[nH]3)cs2)cc1 587015968 LOOZVONIBDHXOJ-UHFFFAOYSA-N 335.436 4.080 0 1 EIAF Clc1cccnc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587065199 MAFUKRQMQMZBFX-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(Br)ccc2[nH]1 587072868 YOFUOUFHKFMELA-UHFFFAOYSA-N 349.615 4.404 0 1 EIAF C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587155188 ILEWAWVOHZUHRW-KRWDZBQOSA-N 329.762 4.147 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCO3 587156257 ROLDWABMLQTZNR-CQSZACIVSA-N 328.343 4.003 0 1 EIAF Cc1nc2cccc3c2c(c1Cc1c(C)[nH]c2ccccc2c1=O)CC3 587211904 JAQPJRHDVKXHCW-UHFFFAOYSA-N 340.426 4.383 0 1 EIAF Cc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587236011 VKUADBRDOXZDFW-ZIAGYGMSSA-N 329.444 4.422 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1C(F)(F)F)O2 587380405 DTPBTCDMFBSNOW-KRWDZBQOSA-N 335.325 4.477 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccccc3n1)CC2=O 587486426 BSBPSBXLIFLRDK-NRFANRHFSA-N 348.402 4.169 0 1 EIAF Cc1cccn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 587516075 UMXGPYNIPBDILB-IBGZPJMESA-N 332.403 4.228 0 1 EIAF CCOC(=O)c1c(CN2CCCC2)[nH]c2ccc([C@@H](C)CC)cc12 587643282 CQUPHEHTTTZHIO-AWEZNQCLSA-N 328.456 4.454 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(SC)cc2[nH]1 587787693 QKHYWCCCWCEQIO-UHFFFAOYSA-N 340.448 4.417 0 1 EIAF COCC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797583 WGMAUPJSANJTIT-BDJLRTHQSA-N 344.268 4.010 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587950835 CZSRPTFNMJRQFN-USBNGQNGSA-N 328.416 4.191 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587951941 KGWIZWTXNWODAZ-NVBFEUDRSA-N 334.391 4.447 0 1 EIAF CCOC(=O)c1ccc([C@]2(CC)NCCc3cc(Cl)ccc32)cc1 963382041 ZIZCKSBEZDLTFK-FQEVSTJZSA-N 343.854 4.316 0 1 EIAF CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@@H]2[C@]1(C)CC[C@H](C(C)(C)NC=O)O1 2356431768 DODQPAWNEFWWQB-YRIDSSQKSA-N 331.500 4.387 0 1 EIAF CC(C)c1ccc2c(c1)C[C@](Cc1ccc(Cl)cc1)(C(=O)O)O2 13604929 HBNZHTOIZRRHEO-LJQANCHMSA-N 330.811 4.464 0 1 EIAF COc1cc2c(c3c1[C@H](O)C[C@@H](c1ccccc1)O3)C=COC2(C)C 14439336 DJLVQLNNAMLMDT-SJORKVTESA-N 338.403 4.488 0 1 EIAF biogenic CCc1sc2nc(SC)n(-c3ccc(F)cc3)c(=O)c2c1C 28949174 FKCPFPLIVSGDFV-UHFFFAOYSA-N 334.441 4.179 0 1 EIAF COc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 40420334 JVPNEEDSHIJUSR-UHFFFAOYSA-N 346.312 4.310 0 1 EIAF CC(C)CSc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1 45193076 RHWWFQAORPSUQL-UHFFFAOYSA-N 336.844 4.441 0 1 EIAF CC(C)=CCC/C(C)=C/COCc1cn(-c2cccc(O)c2)nn1 66078523 GQCLXYGSTMPYJC-MHWRWJLKSA-N 327.428 4.182 0 1 EIAF CCCCN(CCCC)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1 72118321 IQXAELMGXYMGIT-UHFFFAOYSA-N 349.862 4.361 0 1 EIAF CCCCCN(CCCCC)C(=O)Cc1nc(-c2ccccc2)no1 72118385 ZEBNJQAFEJZDGB-UHFFFAOYSA-N 343.471 4.488 0 1 EIAF CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc2ccccc12 84655087 XGOZTYIMDBGKCW-QFIPXVFZSA-N 345.442 4.330 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921385 HGNMYGRBKGXPFK-NCYKPQTJSA-N 335.447 4.093 0 1 EIAF CN(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCC[18F] 101512330 VASQEHCFVIZSPK-QUIJITIRSA-N 337.901 4.198 0 1 EIAF CCN(CC)CCSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 103218582 KPLHYRSILUXNJL-UHFFFAOYSA-N 345.299 4.212 0 1 EIAF O=C1NC[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc2[nH]cnc2c1 116193526 JSFWXAJUQDJMRX-OAHLLOKOSA-N 347.205 4.141 0 1 EIAF Clc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1Cl 164777400 AXOYYSAVZUULNM-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF CC[C@H](C)Cc1ccnc2c(N[C@H](C)CCCN)cc(OC)cc12 169329214 DYMOIGOWICYZTC-LSDHHAIUSA-N 329.488 4.371 0 1 EIAF C[C@H]([C@H]1C[C@H]2CC[C@@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N 169688146 DMZIRWOKFVEFRU-XJFOESAGSA-N 336.439 4.316 0 1 EIAF C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@H]3CC[C@@]21C)[C@H](C)CO 206677712 KTECGYIRZKGESY-IOXWNYIFSA-N 332.484 4.121 0 1 EIAF COC(=O)/C1=C/C=C(/C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 238786635 BVJUMQYSTBMEPO-JWLOIDHUSA-N 348.483 4.097 0 1 EIAF O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C(F)(F)F 299866856 POMWQKKPUSXYIA-UHFFFAOYSA-N 336.338 4.388 0 1 EIAF c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)s2)n1 587022947 ACZDSHKQHGKYGJ-UHFFFAOYSA-N 327.390 4.144 0 1 EIAF CC(=O)C(C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099345 FJIKTTTZMQANNA-UHFFFAOYSA-N 343.382 4.016 0 1 EIAF Cc1cc(-c2nc3ccncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145069 SYTAIKWWNRPYTN-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587154686 GEHMGFIHQJFIBO-MEDUHNTESA-N 335.304 4.062 0 1 EIAF CC(=O)C12CC(c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)(C1)C2 587208020 PTNYRMWVROVSEL-UHFFFAOYSA-N 339.394 4.457 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(O)cc21 587403596 JDGMKXJIAOXRPJ-JOCHJYFZSA-N 343.382 4.172 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS[C@H](c3cccs3)C1)O2 587413119 MJUAJWJDLUJGCU-DOTOQJQBSA-N 331.462 4.221 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O 587437048 CHKIGGOUIBSRJA-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF C[C@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587525297 VAMKNYKMUXBRMQ-UKRRQHHQSA-N 344.451 4.267 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1 587567701 BBZBNZHNHPALSD-XLIONFOSSA-N 336.318 4.234 0 1 EIAF COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 587627344 SRARXBNWUPXPIX-INIZCTEOSA-N 343.770 4.172 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 587783777 ACJSIEIODDCISR-ZIAGYGMSSA-N 326.783 4.160 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587789006 BHPJOONQFONAKV-VPTHRUTESA-N 337.236 4.157 0 1 EIAF COc1ccc(/C=C/Cc2nc3ccc(Cl)cc3[nH]2)c(OC)c1 587929695 OUNAFVLBHAUXAV-ONEGZZNKSA-N 328.799 4.489 0 1 EIAF CCO[C@H](C)n1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660245 HSDXDMFCZDHKIF-ZHRRBRCNSA-N 347.462 4.340 0 1 EIAF COc1ccc2[nH]cc([C@@]3(C)NCCc4c3sc(C)c4C)c2c1 963014098 SWGWFCLMDFXLIA-LJQANCHMSA-N 326.465 4.264 0 1 EIAF O=C(O)[C@@H]1CCCCC[C@@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963103592 FXWYYFAVHNSETJ-DIFFPNOSSA-N 342.266 4.389 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@@H]1C 2356475885 UBSPYRWVKFNYNH-CKICMJPISA-N 330.424 4.028 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 2356489268 QSXNOUPYXMWUKT-RNULLNAKSA-N 332.440 4.108 0 1 EIAF C[C@]12Cc3cn[nH]c3C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 263591596 OIIHTRLQCQVVQC-QJAIXKHESA-N 326.484 4.343 0 3 EIAF COc1c([C@H](C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2 6716956 MCVWPJZBARCDLJ-ZDUSSCGKSA-N 335.407 4.233 0 1 EIAF O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC3CC3)ccc2[nH]1 12349511 UKEIQRSJMOAAPW-UHFFFAOYSA-N 336.357 4.173 0 1 EIAF CC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@H]1C2 13651809 WCMXBAGNWHQRAC-HTEXIOIGSA-N 342.479 4.410 0 1 EIAF COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 28128910 KOTRJGJSUUYPQF-UHFFFAOYSA-N 328.368 4.265 0 1 EIAF c1ccc(N2CCN(C3c4ccccc4Oc4ccccc43)CC2)nc1 28230723 OTBNHTMJQXASNW-UHFFFAOYSA-N 343.430 4.099 0 1 EIAF Cc1ccccc1N1CCN(CCCSc2ccc(F)cc2)CC1 28886822 UMPCAWWTKHVJPW-UHFFFAOYSA-N 344.499 4.439 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](C)(O)C3 32146068 NQZVMGVMAPPTFX-SJIZYOMUSA-N 334.500 4.323 0 1 EIAF CCc1c(Sc2ccccc2)n(COC(C)C)c(=S)[nH]c1=O 33488240 MSEMFOGAULFEIO-UHFFFAOYSA-N 336.482 4.002 0 1 EIAF O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCCC2 40429740 JSSDINRJYSMIFT-UHFFFAOYSA-N 341.414 4.260 0 1 EIAF CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(O)cc12 40835186 RGZXXPDUSCBZHM-UHFFFAOYSA-N 329.783 4.294 0 1 EIAF CN1CCC2(N(C)C)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 45283956 DLLCKSSZJVZCNE-OIRDZHBESA-N 334.507 4.352 0 1 EIAF O=c1[nH]c(CNc2ccccc2)nc2c1sc1ccc(Cl)cc12 45290329 JZBCCQDPELDKNH-UHFFFAOYSA-N 341.823 4.403 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2 100897412 PWSUMDGDQAYHSM-ZHPFXUNLSA-N 348.490 4.155 0 1 EIAF CN(CCC[18F])C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 101512309 JZIHRSHQGGBQMD-QUIJITIRSA-N 337.901 4.198 0 1 EIAF NC(=O)c1cccc(-c2ccc3oc(NC4CCCCC4)nc3c2)c1 149097658 DQZQTKMOTSNKDI-UHFFFAOYSA-N 335.407 4.338 0 1 EIAF Clc1cccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3)[nH]n2)c1 207360479 JPGSEKHIYXAINC-IBGZPJMESA-N 339.826 4.058 0 1 EIAF Brc1cncc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586886993 RLDMGSMPCFWVHJ-PXAZEXFGSA-N 340.224 4.092 0 1 EIAF COc1cc(/C=C/c2nc3ccc(C)nc3[nH]2)ccc1Br 586977742 RIGPEXBBNOOMTO-VMPITWQZSA-N 344.212 4.208 0 1 EIAF CCOC(=O)[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099325 ZCIGTEUNKSVNDP-ZDUSSCGKSA-N 345.398 4.421 0 1 EIAF Fc1cc(Br)ccc1-c1nc2c(Cl)ccnc2[nH]1 587143144 XVCWQYRSFSYEKI-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587163688 NOOZFRRJODSNST-INIZCTEOSA-N 326.419 4.046 0 1 EIAF Cc1cc(Br)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587177024 ZTCCWUAZOZXGSE-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF N=c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c2ccccc2[nH]1 587254711 XHCCAJPSIWPKFI-UHFFFAOYSA-N 330.725 4.122 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@@H]32)[C@H]1c1ccc(F)cc1 587356182 ZCTLFKFTHDSKLO-OXTQRCDGSA-N 338.378 4.449 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O 587450240 IFKRBMDVKSOOPS-RBZFPXEDSA-N 349.411 4.307 0 1 EIAF O=C1C[C@]2(CCc3cc4c(cc32)OCO4)Oc2c1ccc1c2CCCC1 587534972 HKJSKQAUVJCCNV-QFIPXVFZSA-N 348.398 4.101 0 1 EIAF C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611867 KJBFJWZRRMAGTJ-VQIMIIECSA-N 338.384 4.331 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3cncc(Cl)c3[nH]2)CC1 587970929 OQZRTLVTDWKVEH-UHFFFAOYSA-N 325.799 4.041 0 1 EIAF O=c1c2c([nH]c3ccccc13)CN(Cc1ccc(Cl)c(Cl)c1)C2 653790511 UGLFTIYMTYVICO-UHFFFAOYSA-N 345.229 4.351 0 1 EIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 1772619579 ROPASZGHJREMDH-JXMROGBWSA-N 349.361 4.017 0 1 EIAF CC(=O)c1cccc(-c2cnc3ccc(Cc4ccccc4)nn23)c1 1857576583 IPWOWVJEJFUPPS-UHFFFAOYSA-N 327.387 4.190 0 1 EIAF CO[C@H](C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857763577 YABIGLAUDNERGH-BZNIZROVSA-N 344.867 4.334 0 1 EIAF COCc1cccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)c1 61926762 VQCHOUUWWADGJK-KRWDZBQOSA-N 329.396 4.177 0 3 EIAF Cc1c(Cl)cccc1-n1nc(C)c2c(C(=O)O)cc(C3CC3)nc21 6857926 ZEPGNXQUEUNPOH-UHFFFAOYSA-N 341.798 4.266 0 1 EIAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1C=C[C@@H](OC(=O)NC(C)C)C1 8624133 CXFIQLLPPVUNBY-FUHWJXTLSA-N 339.439 4.036 0 1 EIAF biogenic COc1cc2nc(Cl)nc(N(C)c3ccccc3)c2cc1OC 11756197 HMSJUFNKRZCJPT-UHFFFAOYSA-N 329.787 4.068 0 1 EIAF CCCCC[C@@H](O)/C=C/C[C@H]1CCc2c(cccc2OCC(=O)O)C1 26010561 HTOCRZZCAFEVBG-MBWXVRLRSA-N 346.467 4.142 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(OC)cc2)oc1-c1ccsc1 27088277 CYFCMEJRRCKOOZ-UHFFFAOYSA-N 343.404 4.184 0 1 EIAF COc1ccc(-c2nc(CCO)sc2-c2ccc(OC)cc2)cc1 29252013 HXXXONYRSIPELC-UHFFFAOYSA-N 341.432 4.029 0 1 EIAF CCc1ccc(-n2ccc3c(sc4nccc(N(C)C)c43)c2=O)cc1 35283135 QQYIWENGMXJJRT-UHFFFAOYSA-N 349.459 4.229 0 1 EIAF COc1cc2c(ccn2-c2ccc3c(ccn3C)c2)c(OC)c1OC 72113143 FSDGKBQHTFHLMA-UHFFFAOYSA-N 336.391 4.148 0 1 EIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(F)cccc3CC[C@@H]21 117627105 ZOAXBNRBMBWPOC-KXBFYZLASA-N 349.409 4.037 0 1 EIAF Clc1cccc(Cl)c1CO[C@@H]1CCCC[C@@H]1N1CCOCC1 142329365 XENQVRODCYBGEK-DLBZAZTESA-N 344.282 4.153 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169318493 JTVHQWNUCRXUJU-BGMRAPHESA-N 336.472 4.414 0 1 EIAF CC(C)N(CCS[C@@H](N=O)C(=O)c1ccc(Cl)cc1)C(C)C 169713390 AQQAKVYHGAWUDW-MRXNPFEDSA-N 342.892 4.467 0 1 EIAF Cc1nc([C@@H](CC(=O)O)c2cccc(Br)c2)sc1C 221078357 UJQZIOCBKCFRDY-LBPRGKRZSA-N 340.242 4.129 0 1 EIAF COc1cc2c(c(OC)c1O)[C@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@@]13C 299859002 VBNGTWZWDZGAEG-SMJZGHSDSA-N 330.424 4.187 0 1 EIAF Cc1cc(NCc2ccccn2)n2nc(C)c(Nc3ccccc3)c2n1 473151281 PAZBHKXPXNJJAV-UHFFFAOYSA-N 344.422 4.097 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586894020 XLKNTZLTBSIBHC-ZKANADHPSA-N 338.304 4.265 0 1 EIAF Cc1ccc2c(ccc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc32)n1 586903045 GJJAMFBGYZXNQX-HNNXBMFYSA-N 333.391 4.358 0 1 EIAF Cc1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905502 RCJICAINYRDLGC-VIFPVBQESA-N 338.194 4.203 0 1 EIAF Clc1ccc(C2=C[C@H](c3nc4cccc(Cl)c4[nH]3)ON2)cc1 587074969 AAQYFLQDJQYVJP-CQSZACIVSA-N 332.190 4.487 0 1 EIAF CN(Cc1ccccc1)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587213425 RNKUNGBUNFRKHN-GOSISDBHSA-N 328.459 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OC)cccc31)CC2=O 587480142 NKSVKXWDVRJMLP-NRFANRHFSA-N 338.403 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)[nH]n1)CC2=O 587485628 PSYXIEFVKWVPFI-HXUWFJFHSA-N 348.402 4.441 0 1 EIAF CC(C)n1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513548 CCOBPLKLFJBDQN-OAQYLSRUSA-N 338.451 4.309 0 1 EIAF COc1ccc2c(c1)C[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524246 KXTFMVZOZHHFCR-QHCPKHFHSA-N 348.442 4.467 0 1 EIAF Cc1sccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611665 HJXSMPUXAAMELJ-VQIMIIECSA-N 338.384 4.465 0 1 EIAF CC1(C)CCC(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1 587961763 WQYNAPSNZYBPJB-UHFFFAOYSA-N 341.499 4.154 0 1 EIAF Cc1c(F)ccc2c1[C@]1(CCCC[C@@H]1N1CCCCCC1)NCC2 962299586 OPMYNPFAZOBBRA-PZJWPPBQSA-N 330.491 4.294 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c[nH]nc1-c1cccnc1 963226281 HKVYFBOCSNVMOU-YCRPNKLZSA-N 332.451 4.218 0 1 EIAF CCOC(=O)c1c([C@H]2COC3(CCCCC3)O2)cc(C2CC2)nc1C 1857592622 OBQPZAKCJDXABL-QGZVFWFLSA-N 345.439 4.192 0 1 EIAF CN1C[C@](O)(c2ccc(-c3ccccc3)cc2)S[C@H]2CCCC[C@H]21 1857748061 MQEUZOQUQDYGIG-QHAWAJNXSA-N 339.504 4.489 0 1 EIAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]24CNC(C)=C2CC[C@@H]34)C1 2356739733 YDHWVBOTXSGPIM-QCQQLPRJSA-N 328.544 4.474 0 1 EIAF COc1cccc([C@@H](O)c2nc(-c3ccc(F)cc3OC)cs2)c1 61905323 CQBGFLADFWWMBN-QGZVFWFLSA-N 345.395 4.048 0 3 EIAF CN(C)CC[C@@H](OC(=O)NCc1ccccc1)c1ccc(Cl)cc1 13684796 YKCCSDJOKJMGIK-GOSISDBHSA-N 346.858 4.259 0 1 EIAF CC(C)c1c(O)c(O)c2c(c1C=O)[C@H](O)[C@H]1C(C)(C)CCC[C@]21C 14966696 IIYLPCIYUBWRSS-XKGZKEIXSA-N 332.440 4.165 0 1 EIAF biogenic C[C@H]1CC[C@@]2(OCCC[C@H]2C)O[C@@H]1COCOCc1ccccc1 26159259 HLWVKLXTYLKDJZ-ONCXSQPRSA-N 334.456 4.135 0 1 EIAF CN(C(=O)Nc1ccccc1)[C@H]1c2ccccc2Oc2ncccc21 28013517 ZJDLFIPECFFCTO-SFHVURJKSA-N 331.375 4.441 0 1 EIAF CC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2C1=O 28230656 KRBNSDATJGIUCB-OAQYLSRUSA-N 338.403 4.266 0 1 EIAF Cc1c(-c2ccc(-n3ccnc3)cc2)nc2ccc(F)cc2c1C(=O)O 29337339 YJTGMOTWKJQFDT-UHFFFAOYSA-N 347.349 4.233 0 1 EIAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccc(C)cc3)nnc1-2 35090998 QQALYXPKBJYTGQ-UHFFFAOYSA-N 347.466 4.351 0 1 EIAF Nc1ccccc1[C@@H]1c2ccccc2CCN1CCOc1ccccc1 40913450 LUPAIGZXTIGZDY-QHCPKHFHSA-N 344.458 4.295 0 1 EIAF COc1ccc([C@@H]2C[C@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 45298379 VPKCLHWPSFNHSU-LSDHHAIUSA-N 342.826 4.224 0 1 EIAF Nc1ccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1 96285236 YVKIJUOXNIWLHR-UHFFFAOYSA-N 325.375 4.355 0 1 EIAF Cc1ccoc1C(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 96914402 OONDDGIFLNGXHO-UHFFFAOYSA-N 337.310 4.183 0 1 EIAF CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1cccc(F)c1 103280342 GDPOBYYBMKDOIP-ZRNYENFQSA-N 328.383 4.160 0 1 EIAF Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)c[nH]3)nc2c1 113425805 KENOTPGUAIVROK-UHFFFAOYSA-N 335.436 4.029 0 1 EIAF COc1ccsc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1 207254941 RUCZZSAXDOQHFT-UHFFFAOYSA-N 344.480 4.470 0 1 EIAF CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC1=CC(=O)OC1 238733784 KZIDMGQRXAFSCG-FVCZOJIISA-N 332.440 4.113 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1 238774802 NXNOPTGUMNFXAY-IJTAGJJNSA-N 332.440 4.108 0 1 EIAF Cc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1 299856176 INCDLFNQIMATBG-UHFFFAOYSA-N 333.391 4.076 0 1 EIAF O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(F)c(C(F)(F)F)c1 324656897 DNKABGQFMOSYLD-UHFFFAOYSA-N 342.248 4.187 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586886699 GOXPOSMEFSOUJJ-LKFCYVNXSA-N 336.222 4.410 0 1 EIAF OCc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016106 PRPDCTKHGPUYIY-UHFFFAOYSA-N 341.823 4.499 0 1 EIAF CCc1ccc(-c2nc(-c3nc4ccc(CCO)cc4[nH]3)cs2)cc1 587016575 YJIADJJCAYJQFM-UHFFFAOYSA-N 349.459 4.451 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587067265 QSFJUXAVAZKMSF-UHFFFAOYSA-N 329.684 4.481 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Cl)c(Cl)c1)O2 587378224 ASQKFSKOPYMKNH-MRXNPFEDSA-N 337.206 4.160 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(F)c2CC[C@H]1C 587386195 IQLYHRKTVQLLDN-MPBGBICISA-N 325.383 4.159 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@H]1c1ccccc1C)[C@@H](C2)C3=O 587446478 XNGWSBGUQSVRFM-VDNWNZSNSA-N 334.415 4.313 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CC1(Cl)Cl)CC2=O 587458349 APQFINKKDYYQMG-DZGCQCFKSA-N 329.223 4.262 0 1 EIAF Fc1cc2c(CN3CCOCC3)c(-c3ccccc3)[nH]c2cc1Cl 587632391 WCIGTAJCOQGQHZ-UHFFFAOYSA-N 344.817 4.460 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CC2(C)C)N1 587816364 XCFDHWQCWPCTJL-VYROHLMNSA-N 326.253 4.384 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(Cc3ccccc3C2)N1 587819624 WDOOBHNBAQJZIG-LLVKDONJSA-N 346.243 4.117 0 1 EIAF O=C(O)CCCCCCCCCCCCc1nc2cnncc2[nH]1 587957756 SVITYFPITBKSIZ-UHFFFAOYSA-N 332.448 4.271 0 1 EIAF COc1cc(-c2nnc3ccc(-c4ccccc4C)cn23)ccc1O 653686906 IIHFIDZVOVJLRU-UHFFFAOYSA-N 331.375 4.086 0 1 EIAF Cc1nc(N)sc1[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962665853 QWRRVPHNQRYGOJ-HXUWFJFHSA-N 335.476 4.110 0 1 EIAF Fc1cc(Cl)ccc1Cn1nnc2c(Br)cccc21 1857564771 FQEHXUBQYJHQGB-UHFFFAOYSA-N 340.583 4.035 0 1 EIAF Cc1ccc(C)c(C(=O)COC(=O)c2c(O)ccc3ccccc23)c1 1857585565 PFHGAXZEEQWARY-UHFFFAOYSA-N 334.371 4.202 0 1 EIAF COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@H]2CC[C@H]1C3 2356428968 DZNQMARSUVZEMD-HISXJNDNSA-N 334.500 4.181 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@@H](O)[C@@H](C(C)C)CC3 2356713666 OLNJNDLWCJADAH-AYBQMASMSA-N 334.500 4.489 0 1 EIAF COc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 4914583 QDTBIPFXCNWLHH-IBGZPJMESA-N 334.375 4.055 0 3 EIAF Clc1ccc(-n2ncnc2-c2cccc(Br)c2)cc1 180978 OLTHUAAPZFSCCQ-UHFFFAOYSA-N 334.604 4.350 0 1 EIAF O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCc2ccccc21 19159969 UFRCISNUORYMOJ-UHFFFAOYSA-N 348.358 4.448 0 1 EIAF Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)N1CCCc1cccnc1 27098525 JHJZSVHCUXVYQO-OXJNMPFZSA-N 335.426 4.396 0 1 EIAF CCCCc1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 28256449 YJQPQRFYOSXHGT-FQEVSTJZSA-N 343.540 4.131 0 1 EIAF CCCSC[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890302 ZQKGOFAZLKQJIK-CQSZACIVSA-N 333.284 4.231 0 1 EIAF C[C@H](CCOc1ccccc1)CCOc1cccc(NC(N)=S)c1 40954163 VVESKFRCGVKZGV-OAHLLOKOSA-N 344.480 4.216 0 1 EIAF C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1 49021072 RECUJGQMLDHPOK-HXUWFJFHSA-N 335.407 4.413 0 1 EIAF c1ccc(C(NC[C@@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 73351325 BUTSHKRIRGZUNO-QFIPXVFZSA-N 329.443 4.357 0 1 EIAF COc1ccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)cc1 96285803 HSPORYRJEMPOBZ-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF COc1ccc(CN2CCC[C@H](CNc3ccc(OC)cc3)C2)cc1 103279750 VVELXZXKRCBTSM-GOSISDBHSA-N 340.467 4.028 0 1 EIAF Cc1cc(Cl)ccc1NC(=O)c1ccccc1C(=O)NC(C)C 103286688 WQBQRNDJESIQNZ-UHFFFAOYSA-N 330.815 4.039 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1cc(-c2cccc(O)c2)cs1 169351570 MELBIPIFASLZJG-UHFFFAOYSA-N 339.416 4.099 0 1 EIAF Fc1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 586882874 CNMRDYJXKRIPRG-FTIRYDQDSA-N 336.414 4.356 0 1 EIAF Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587043077 XXNWMKXJJXSQNC-IAGOWNOFSA-N 343.883 4.471 0 1 EIAF COc1cncc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111272 CFAAASHUIMSZRL-UHFFFAOYSA-N 344.296 4.201 0 1 EIAF O=C(O)C[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206731 LXQVTSGRIZGZFP-LBPRGKRZSA-N 343.382 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(Cl)nc31)CC2=O 587461591 NJTBHKHDWSFJPN-LJQANCHMSA-N 343.810 4.200 0 1 EIAF CC(C)N1CCC([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587515603 VQXVEIUDUCEHDC-FQEVSTJZSA-N 327.468 4.020 0 1 EIAF C[C@]1([C@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600664 BRSWVCSJJUYLIX-FEZTVTASSA-N 348.398 4.325 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccs2)N1 587847857 LYTQAMGUWBBOAO-VFZGTOFNSA-N 340.261 4.447 0 1 EIAF N=c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c[nH]1 587951442 ZZMFADBPPCBJCF-KHPPLWFESA-N 328.375 4.333 0 1 EIAF C=Cc1c(OC)cc(/C=C/c2ccc(OCOC)cc2)cc1OC 1857565578 KKJQAQYJXOYKBG-VOTSOKGWSA-N 326.392 4.500 0 1 EIAF O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)[nH]1)c1ccccc1O 1857600255 OHXXMRVCXJIHBE-UHFFFAOYSA-N 347.296 4.109 0 1 EIAF CC(=O)n1nc(-c2ccc(Br)cc2)nc1-c1ccccc1 1857619884 XPZZEBKIULFCJD-UHFFFAOYSA-N 342.196 4.035 0 1 EIAF COC(=O)C1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@]12CO 2356584292 ACTLTPVNNKNAFE-KYPFXXDHSA-N 346.467 4.137 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 61946907 SXXRMGBMPQWUTB-SFUSBHMVSA-N 332.484 4.053 0 3 EIAF CCCCNC(=O)c1nc2ccccc2nc1-c1ccc(F)c(F)c1 206051831 MUEKWSWUKJSMSB-UHFFFAOYSA-N 341.361 4.105 0 3 EIAF O=C1Nc2ccc(Cl)cc2[C@](OCCC2CC2)(C(F)(F)F)O1 6567417 YZQYQIZPZCPWTE-CYBMUJFWSA-N 335.709 4.434 0 1 EIAF CC(=O)CC[C@H]1C(C)(C)CCC[C@@]1(C)C(=O)CCC1=CCOC1=O 13385462 KVLVNKUNUGDPMA-OXJNMPFZSA-N 334.456 4.021 0 1 EIAF biogenic CCc1oc([C@H](C)C2=C(C)C(=O)[C@H](C)[C@@H](C(C)C)O2)c(C)c(=O)c1C 14827305 CLPRMQVDBCAKIB-VRHCTWJESA-N 346.467 4.457 0 1 EIAF biogenic CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccccc32)CC1(C)C 22574327 XUGAKTCCCDRKAF-RTWAWAEBSA-N 338.470 4.428 0 1 EIAF OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cnccn1 27427695 UOTIYABLCRIKOS-UHFFFAOYSA-N 331.202 4.068 0 1 EIAF CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)c(Cl)ccc21 39198793 OSSZNHLRWQUJNG-OAHLLOKOSA-N 328.195 4.127 0 1 EIAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]ccc1Cc1ccccc1 72105567 YOXOZDGMPRMCHG-MOSHPQCFSA-N 329.403 4.308 0 1 EIAF Cc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)nc1 95588196 KBCYCSKIOLIPFU-UHFFFAOYSA-N 343.430 4.205 0 1 EIAF CCN(CC)c1nc(-c2ccccn2)ncc1Cc1ccccc1F 116189982 QUNILCUCERHGFQ-UHFFFAOYSA-N 336.414 4.115 0 1 EIAF C[C@H](c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21 169348917 LRPBZJNZJSRNQB-SNVBAGLBSA-N 338.354 4.300 0 1 EIAF CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)[N+](=O)C(C)(C)N2O 377819905 OSMPJJRMEVFFKD-JXMROGBWSA-N 338.431 4.188 0 1 EIAF Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)OCO3 587067174 WQVYEXVAZSJUOJ-UHFFFAOYSA-N 344.798 4.265 0 1 EIAF CCOC(=O)[C@@H](F)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103214 HZWVAYNZYCOFQC-SFHVURJKSA-N 335.334 4.020 0 1 EIAF Cc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587175346 YNCNZUUZAUOHKS-OAHLLOKOSA-N 347.187 4.449 0 1 EIAF Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1F 587204975 MTRQLXJDVMQYRK-HNNXBMFYSA-N 349.450 4.492 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)OC1(C)C)O2 587414967 WWSIPTGZDNURGL-NQIIRXRSSA-N 337.419 4.221 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)cc31)CC2=O 587477008 HCJYUDVLMWPVLB-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)nc1C1CC1)CC2=O 587477922 VYSWJSXJIBHIKF-GOSISDBHSA-N 340.423 4.145 0 1 EIAF C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604549 WTYBTJISIPANAM-SIKLNZKXSA-N 346.382 4.355 0 1 EIAF Cc1cccnc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587623800 PYCVGZAVKMOPMM-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(F)F)CC2)N1 587719797 RFONILWOUCSSNI-MADCSZMMSA-N 334.179 4.209 0 1 EIAF COC[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587796736 UYJVYOGPMQYRIH-BDJLRTHQSA-N 344.268 4.010 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(O)c4[nH]3)c2)c1 587932968 IEKZYZCGZRYFMQ-UHFFFAOYSA-N 332.359 4.317 0 1 EIAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cn1 587967273 MEGPQWHTQSQJIK-DJLDLDEBSA-N 329.272 4.292 0 1 EIAF COc1cccc2cc3c(nc12)[C@H](c1c[nH]c2ccc(C)cc12)NCC3 963035317 MZHCUPNXZDAIBC-QFIPXVFZSA-N 343.430 4.268 0 1 EIAF Cc1cc(C)n2c(nc3ccccc32)c1C(=O)NCc1ccccc1 4865275 RPAMYTWENBHQQA-UHFFFAOYSA-N 329.403 4.034 0 3 EIAF COc1cccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)c1 13123515 QVCMTXIFKCARDG-DLBZAZTESA-N 340.814 4.086 0 3 EIAF CN(C)c1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cc1 61903897 NRGYFNUETHCLSM-LJQANCHMSA-N 342.439 4.271 0 3 EIAF O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=Nc3ccccc3CN21 1861985 VETUKMSKEWYIOQ-OAQYLSRUSA-N 346.817 4.441 0 1 EIAF COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1 7884335 ZGHFRYBKBCWNMK-HXUWFJFHSA-N 330.387 4.466 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(CCCO)CC[C@@]43C)[C@@H]1CCC2=O 13671486 QDVSNHMGKULZNC-OIELIUQCSA-N 348.527 4.102 0 1 EIAF COc1ccc([C@@H](OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 13737812 AFWLTZMAQCSANY-UPWVYKOGSA-N 337.463 4.426 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@H]1N2C 14947351 AGOPIOMWLMAZHS-QUCCMNQESA-N 338.407 4.060 0 1 EIAF CC[C@]1(CC(=O)O)OCCc2c1oc1c(Cl)ccc(Cl)c21 28564049 AAXPYVOHUVYIFH-OAHLLOKOSA-N 329.179 4.392 0 1 EIAF CC(C)CN1C(=O)CS[C@@H]1c1cccnc1-c1ccc(F)cc1 28819685 RBSNRBGZLKFOQU-GOSISDBHSA-N 330.428 4.118 0 1 EIAF c1ccc(Cn2c3ccccc3c3cc(C4=NCCN4)ccc32)cc1 29551253 MHIXDHAOGYDXRJ-UHFFFAOYSA-N 325.415 4.193 0 1 EIAF COc1ccc2c(c1)[C@@H]1CN(C)[C@H]2Cc2ccc(Br)cc21 29561159 MADYOGGTQRFFQO-MSOLQXFVSA-N 344.252 4.132 0 1 EIAF CCCCC[C@H](O)/C=C/C=C/[C@@H](CCCCCCC(=O)O)OC 33820457 FPDXRJMUHIDIMS-XRXUICBHSA-N 326.477 4.480 0 1 EIAF Nc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1 40875823 IYGROXCZGPBSTL-UHFFFAOYSA-N 331.297 4.117 0 1 EIAF CCCCOc1ccc(CNC(=O)Oc2ccc(F)cc2F)cc1 45364877 OHKUODJKULFCPB-UHFFFAOYSA-N 335.350 4.432 0 1 EIAF in-vivo COc1ccc(CN2[C@@H](C)Cc3cc(OC)c(OC)cc3[C@@H]2C)cc1 95784877 KQAFZKZNNTXWGL-GJZGRUSLSA-N 341.451 4.220 0 1 EIAF O=C(O)c1csc(-n2nc(C3=CCCCC3)c3ccccc32)n1 103254826 NHNVUSSWWHEXGI-UHFFFAOYSA-N 325.393 4.138 0 1 EIAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 103530040 SDBNKYOFOAJKOV-VZCCSQPZSA-N 349.390 4.243 0 1 EIAF Cc1c(Cl)cncc1N1CCN(c2ccc3ncsc3c2)C1=O 148633495 GBBPGYPMPYVHGF-UHFFFAOYSA-N 344.827 4.100 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169318489 JTVHQWNUCRXUJU-IZOULEEASA-N 336.472 4.414 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4C(=O)O)-c1ccccc1C2=O 587101166 KFTRBODUWKQGFQ-HNNXBMFYSA-N 343.382 4.259 0 1 EIAF Cc1cc(Br)c(-c2nc3ccc(Cl)nc3[nH]2)cc1F 587137727 IJDKFOKVHILEHE-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Fc1cnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150909 USYUZSRCXLKBTG-KRWDZBQOSA-N 336.345 4.438 0 1 EIAF CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587151591 RYDLTOSAGZIAPL-JTQLQIEISA-N 346.333 4.158 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)cc2[nH]1 587155916 OMUKTBWISIRDOO-OAHLLOKOSA-N 328.343 4.019 0 1 EIAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(Cl)c1)[C@@H](C2)C3=O 587420616 QMCRXMSBRUKYSO-CVEARBPZSA-N 328.795 4.097 0 1 EIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 587530370 TWHMCQQCVVGIMM-RKCGOGRQSA-N 332.443 4.047 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(F)(F)F)N1 587709288 KEKNZFKPDIVGNL-JMCQJSRRSA-N 340.158 4.290 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cc(F)cnc4[nH]3)c2)cc1O 587786633 MSFYVEACOQVCGD-UHFFFAOYSA-N 335.338 4.145 0 1 EIAF COc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1OC 587930229 NPPAKZFFZYSNID-RNODOKPDSA-N 338.407 4.034 0 1 EIAF COc1ccccc1CN(C)C[C@@H]1C[C@H]1c1cc(F)ccc1OC 1772574079 AZQNQKWCVSCOCW-DOTOQJQBSA-N 329.415 4.078 0 1 EIAF Fc1ccc(-c2cn(Cc3csc(-c4ccccc4)n3)nn2)cc1 1857549832 CRONJZSYUYGJDK-UHFFFAOYSA-N 336.395 4.256 0 1 EIAF CCc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 1857567136 FUIKFOLALQCXPZ-UHFFFAOYSA-N 347.418 4.430 0 1 EIAF CCC[C@@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911582567 RBOFAAFEJQFDCN-HXUWFJFHSA-N 325.452 4.394 0 1 EIAF CC(C)Oc1ccc(F)cc1-c1cc(C(=O)Nc2ccccc2)[nH]n1 61906977 MBEYZCXYZZGBNW-UHFFFAOYSA-N 339.370 4.255 0 3 EIAF O=C(NCc1ccccc1)[C@H](Nc1ccccc1)c1ccccc1F 206049711 CRRXUBSZZBPHTM-HXUWFJFHSA-N 334.394 4.295 0 3 EIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](C1CCCC1)C2 2012673 INRKFTFXAPGJST-JTQLQIEISA-N 343.206 4.002 0 1 EIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CCCC(=O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 14448515 KIGLIKYNKWYLIT-AKBZOABZSA-N 336.472 4.256 0 1 EIAF biogenic COc1ccc(-c2cc(C=O)cc3ccc(O)c(OC)c23)cc1OC 14883499 IBFBBRQOIORQJM-UHFFFAOYSA-N 338.359 4.051 0 1 EIAF biogenic,in-vitro C[C@@H]1CNCCc2cc(OCc3ccccc3)c(Br)cc21 28119121 BNEIDDXVFTVOOR-CYBMUJFWSA-N 346.268 4.277 0 1 EIAF O=C(CCCC1CCN(C(=O)CC2CCCCC2)CC1)c1ncco1 29126221 XHLGFXJLFKOTJC-UHFFFAOYSA-N 346.471 4.237 0 1 EIAF Nc1nc2ccccc2c2cn(-c3cccc(C(F)(F)F)c3)nc12 40881201 AFFDYNPUKMKJOT-UHFFFAOYSA-N 328.297 4.175 0 1 EIAF CCCCCCOc1cc(C)c(C(=O)CCN2CCOCC2)c(C)c1 43121535 RZABBTRMTWBXBY-UHFFFAOYSA-N 347.499 4.168 0 1 EIAF COc1cc(C(=O)c2cc3ccccc3s2)cc(OC)c1OC 53313719 IULUUHWXTUMINS-UHFFFAOYSA-N 328.389 4.158 0 1 EIAF COc1cc(Cl)ccc1C(=S)Nc1ccc(Cl)cc1O 84739642 CAKDINHUUIUCCK-UHFFFAOYSA-N 328.220 4.495 0 1 EIAF C[C@@]1(c2cc(Cl)cc(CC(=O)c3ccco3)c2)CCSC(N)=N1 96174342 ZTSNGZILTQFURF-KRWDZBQOSA-N 348.855 4.025 0 1 EIAF Cn1ncc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc21 169704853 ZUBKNAZCFHWQRU-JKSUJKDBSA-N 334.423 4.031 0 1 EIAF CO[C@H]1OC2=CC3=CCC[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)C2=C1C 238762272 HGVIISJALNTGLG-PBDPQADMSA-N 332.440 4.134 0 1 EIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC)[C@H](OC)C[C@H]12 238776020 QIOWNWWZXNWWMP-UFOPBENGSA-N 330.468 4.191 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 253898122 QLZOSNWYWZNEJT-AJGRXUDCSA-N 330.468 4.452 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883416 JLRMACLMAOUIKX-CMBDLQSPSA-N 338.451 4.136 0 1 EIAF Fc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1F 586979869 XCXONNREZWBAGX-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Clc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587086132 TUFFCLSUNPPKJB-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc12 587134160 JSSWQZNTPJKJOK-UHFFFAOYSA-N 347.724 4.432 0 1 EIAF CC(C)Oc1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587162424 CDNPUKGJZGSXEP-GOSISDBHSA-N 327.403 4.140 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Cl)cc2C[C@@H]1C 587378280 BCIWDPNAJMDKFS-JEOXALJRSA-N 327.811 4.284 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(C(F)(F)F)c1)O2 587381129 GMTLZNBNSZWTSM-KRWDZBQOSA-N 335.325 4.477 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(C)(C)C)O2 587398948 GUQQDHBCVQQTQS-SFHVURJKSA-N 325.408 4.461 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587424145 XPHBWCJJZAFQDG-KBXCAEBGSA-N 348.320 4.377 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587437155 DVUHLINBVHCRHD-BTYIYWSLSA-N 333.387 4.148 0 1 EIAF CCC[C@@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521034 HSKUHKNVCBPRKH-SZNDQCEHSA-N 344.451 4.411 0 1 EIAF O=C1C[C@@]2(C[C@@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587523759 PKWBLJDGNKDQIL-WMZHIEFXSA-N 345.442 4.017 0 1 EIAF O=C1C[C@H](c2ccc(-c3cc[nH]n3)o2)Oc2c1ccc1c2CCCC1 587528157 XOZHJIUYYZHEHG-LJQANCHMSA-N 334.375 4.255 0 1 EIAF Cc1nc(N(C)C)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587535621 MWJMHUCQEJKFHX-MRXNPFEDSA-N 342.464 4.103 0 1 EIAF COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 587632007 AENYDPTZYGXTGP-OAHLLOKOSA-N 347.733 4.003 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]ccc32)N1 587802365 LRZZCZJSLNGPFI-DYZYQPBXSA-N 349.247 4.030 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc2cn(C)nc2c1 963221846 AWWAFJMOAJIAKK-ZHRRBRCNSA-N 333.479 4.493 0 1 EIAF Cc1nc2ccc(Cl)cn2c1[C@@]1(C)NCCc2cc(Cl)ccc21 963390173 GHHGGHQDVKHCBD-SFHVURJKSA-N 346.261 4.359 0 1 EIAF Fc1ccccc1COc1cccc2o[nH]c(=Nc3cccnc3)c12 1857640785 HVPXHROZWWLYCS-UHFFFAOYSA-N 335.338 4.106 0 1 EIAF CC(C)Nc1nc(NCCOc2ccccc2)c2sccc2n1 61904326 VWGMSAMZLUTHGI-UHFFFAOYSA-N 328.441 4.003 0 3 EIAF C[C@H](O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26389605 YNZAQRSPHOQQKX-BWEYBCCASA-N 347.543 4.093 0 1 EIAF N=C(Nc1ccc2[nH]cc([C@H]3CN4CCC3CC4)c2c1)c1ccco1 34806257 ZPALVTAUXXCYMC-KRWDZBQOSA-N 334.423 4.008 0 1 EIAF N=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1 35259628 BBBUKZLXKVZWHU-UHFFFAOYSA-N 333.435 4.154 0 1 EIAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccccc1)[C@@H]2c1ccccc1 118762484 UUVSFNPIVJBHLF-AZUAARDMSA-N 339.398 4.222 0 1 EIAF CC(C)OCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989689 PFUQENMAGQLYHC-UHFFFAOYSA-N 333.387 4.119 0 1 EIAF Clc1ccc(C2=C[C@@H](c3nc4ccc(Cl)cc4[nH]3)ON2)cc1 587076654 NNLBUISSZPVPMS-HNNXBMFYSA-N 332.190 4.487 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4c(N)ccnc4[nH]3)c2)c1 587160466 SUIPGOIXNWDVSH-UHFFFAOYSA-N 334.354 4.022 0 1 EIAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587168953 ONKBRVIELQHGJU-NSHDSACASA-N 340.333 4.167 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587245026 VJAZCWDROQCGOP-UHFFFAOYSA-N 347.296 4.253 0 1 EIAF CCCOc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587778985 SIXYQWVUVJAHMD-UHFFFAOYSA-N 338.407 4.104 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCC(C)(C)O2)N1 587831619 IGMDANRAMZAMKY-LYSGOOTNSA-N 342.252 4.121 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(C)Oc3cc(N)ccc32)N1 962944921 GEZWJHTYIQOHCV-NYHFZMIOSA-N 345.446 4.214 0 1 EIAF CCC[C@@H](C)OC(=O)C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963125071 SAXFEUKSUCNJHI-DIFFPNOSSA-N 344.282 4.476 0 1 EIAF CCCCC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(OC)cc3)cc21 1857543473 UNOAOYWGBCSETE-HXUWFJFHSA-N 340.423 4.159 0 1 EIAF CCCCCC=CCC=CCC=CC[C@H](O)[C@@H](O)CCCC(=O)O 2356432597 GFNYAPAJUNPMGH-OALUTQOASA-N 338.488 4.382 0 1 EIAF CC(C)[C@]1(O)CC[C@]2(C)CC=CC[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 2356530260 KQQUKTXLBQRNKT-IZZBFERCSA-N 344.451 4.071 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@@H]2CC[C@@H]34)C1 2356599873 PHZBMHANCWAUSO-MZLYOWLHSA-N 328.544 4.127 0 1 EIAF CC(C)(C)c1cc(-c2nnc(NC#N)s2)cc(C(C)(C)C)c1O 12190 WMQPXCDMTTVYMR-UHFFFAOYSA-N 330.457 4.399 0 1 EIAF Nc1nc(N)c2cc(CNc3ccc(Cl)c4ccccc34)ccc2n1 13207353 UAFFWLMOEPQATE-UHFFFAOYSA-N 349.825 4.213 0 1 EIAF CCCCC[C@H](O)C1=C[C@@H]2c3c(ccc(O)c3C=O)C[C@H]2C(C)(C)O1 14857010 JGWMXJGHFYUWFO-LESCRADOSA-N 344.451 4.095 0 1 EIAF biogenic c1ccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)nc1 19328093 VZXICYSIGYOTKX-NNWRFLSQSA-N 344.462 4.029 0 1 EIAF C[C@]1(c2cccs2)CC(c2cccs2)=Cc2ncnc(N)c21 29046021 IEZRGAHPDGFKIG-QGZVFWFLSA-N 325.462 4.432 0 1 EIAF CCN(CC)CCCOC(=O)c1ccccc1CCc1ccccc1 29313450 PXMVXGSLAXPCIQ-UHFFFAOYSA-N 339.479 4.361 0 1 EIAF CCN(c1cc(C)cc(C)c1)c1cc(C(=O)N2CCCC2)n(C)c1 40934867 BCCWRYRLXYBQLR-UHFFFAOYSA-N 325.456 4.036 0 1 EIAF CCCOc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1 49054858 DKQFKKCAMFYFMZ-UHFFFAOYSA-N 337.375 4.487 0 1 EIAF O=C1Nc2ccccc2[C@]12O[C@@H](COc1ccccc1)CC1=C2CCC1 66104977 FXGPKUFCWFCRPI-VGSWGCGISA-N 347.414 4.182 0 1 EIAF CC1(C)CCC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@@H]12)C=C(O)CO4 141315961 BWXOZRZAUORXPM-RBZFPXEDSA-N 344.407 4.060 0 1 EIAF CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 169955705 WIRHVWGXFGRIGT-UHFFFAOYSA-N 328.528 4.098 0 1 EIAF COc1cc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2cc1C 587050016 LPHVJMBRGGSXQP-UHFFFAOYSA-N 329.787 4.159 0 1 EIAF Clc1cnc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587085098 JZBHPQZUWDMCFX-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106194 JDAUVSPOTCUELG-HNNXBMFYSA-N 343.382 4.039 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587133253 QVXHGXGWJCDXAX-UHFFFAOYSA-N 330.668 4.448 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587170130 JINNPMCCTFIPEG-VIFPVBQESA-N 348.374 4.435 0 1 EIAF CC(C)(C)OC(=O)N=c1cc[nH]cc1-c1cc2c3c(cccc3n1)CC2 587212884 LWPREYOBQJUXMH-UHFFFAOYSA-N 347.418 4.164 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(F)c1)O2 587380776 AJGZAMMUHHEMNI-HNNXBMFYSA-N 337.297 4.024 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C[C@H]1c1ccc(F)cc1)O2 587385087 RCSKKJIYYHOZRR-DKICVRJWSA-N 325.383 4.244 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(C)c1-n1cccn1)O2 587390784 JBYOVLMXVPEGIY-LJQANCHMSA-N 347.418 4.086 0 1 EIAF CCCOc1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441994 NLWBWYGAKBWPHA-DYESRHJHSA-N 338.403 4.147 0 1 EIAF Cn1cnc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587516765 WHFWZNDIEDRGQL-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C 587574910 CRWCZQYUSZUJON-GHTZIAJQSA-N 349.386 4.050 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccn2)N1 587773291 QEMABDVEKREKNX-DIFFPNOSSA-N 349.247 4.191 0 1 EIAF COc1cc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2cn1 587787300 VBSYSHYWGHCSLL-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF CSCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587845064 MOBJMICTXRQNBR-JOYOIKCWSA-N 332.282 4.307 0 1 EIAF CN(C)CCOc1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 587963404 NLBAGWHNNCBDEH-UHFFFAOYSA-N 329.488 4.262 0 1 EIAF C/C(=C\c1nc2ccc(OCCN(C)C)cc2[nH]1)C1CCCCC1 587966323 CAHLFXRETDGXTJ-FYWRMAATSA-N 327.472 4.487 0 1 EIAF Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@H]32)cc1 653862720 GSQQJUAMMIUYRX-ONTIZHBOSA-N 342.398 4.191 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1c[nH]c2ncccc12 962369350 CYUGJJSSKITTDG-LJQANCHMSA-N 348.475 4.111 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)c1 962732048 WGQOIQSCVJPREL-PKOBYXMFSA-N 347.380 4.213 0 1 EIAF Cc1cnc([C@@H](CC(=O)O)c2cc(F)cc(-c3ccncc3)c2)s1 1772641267 KEYKPSAPVKCXGS-INIZCTEOSA-N 342.395 4.259 0 1 EIAF COc1ccc(Cl)c(-c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 1857754594 KPDCODRGWBTFHX-QGZVFWFLSA-N 331.799 4.133 0 1 EIAF COc1ccc(/C=C2\SC(=S)N=C2O)cc1OC1CCCC1 29126312 JTTBHJZQWJXMQX-ZROIWOOFSA-N 335.450 4.346 0 1 EIAF Cc1cccc(Nc2cc(Cl)nc(S[C@H](C)C(=O)O)n2)c1C 40860243 IITOMHQCBQHKGQ-SNVBAGLBSA-N 337.832 4.056 0 1 EIAF O=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CCCCNC1 58583849 GZMVATBMIADACI-QFIPXVFZSA-N 332.447 4.353 0 1 EIAF O=C1C[C@@H](C2CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl 101510567 OZOWSRZOGLLMRD-LBPRGKRZSA-N 341.238 4.276 0 1 EIAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)cc1 117719030 JPRBVBXURMPBDH-OAHLLOKOSA-N 348.368 4.425 0 1 EIAF C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)C[C@H](O)c1ccoc1)[C@]32C 238738669 VOCXNWJZRCVBFP-QTYJNJOYSA-N 330.424 4.017 0 1 EIAF COc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005112 NPYDDSFZGFHEAQ-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cncc(Br)c2[nH]1 587066375 AZPOVCUVAGTTRE-UHFFFAOYSA-N 337.608 4.083 0 1 EIAF Fc1c(F)c(-c2nc3c(Cl)ccnc3[nH]2)c(F)c(F)c1S 587133787 CTVLKARJACUXDS-UHFFFAOYSA-N 333.697 4.123 0 1 EIAF Nc1c(F)c(F)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1F 587136276 FOTPSCOMXYCNJT-UHFFFAOYSA-N 331.219 4.248 0 1 EIAF Nc1ccc2oc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2c1 587251934 OTEXUAUHBLVHIQ-UHFFFAOYSA-N 346.159 4.460 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)(C)C)cc1)[C@@H](C2)C3=O 587442810 YQQWIOKAMAFNTC-JXFKEZNVSA-N 338.403 4.361 0 1 EIAF CCc1nn2cc(-c3nc4ccc(OCC(C)C)cc4o3)nc2s1 653667564 PJHYQENQJWOLIO-UHFFFAOYSA-N 342.424 4.196 0 1 EIAF OCCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772620865 IGXACBFKCYPRCE-UHFFFAOYSA-N 339.826 4.258 0 1 EIAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H]2C)cc1OC 1857763870 DNFDPYHZPICQGJ-YUNKPMOVSA-N 328.408 4.045 0 1 EIAF CC(C)Cc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961278 RJNVODGSRLWSNQ-UHFFFAOYSA-N 336.370 4.389 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(CO)=CC[C@@H]12 15164885 ULGOGUNTFIHPHP-CUDHKJQZSA-N 332.440 4.048 0 1 EIAF biogenic c1ccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)nc1 19328152 VZXICYSIGYOTKX-CEMLEFRQSA-N 344.462 4.029 0 1 EIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCc1ccccc1 26721294 CAMZPQMCSLXHTQ-UHFFFAOYSA-N 338.354 4.324 0 1 EIAF CC1(C)C=C(N2CCCCC2=O)c2cc(C(F)(F)F)ccc2O1 26818881 ZEZJGJVSXCNLOD-UHFFFAOYSA-N 325.330 4.230 0 1 EIAF C(=C\n1ncc2c(NCc3ccccc3)ncnc21)\c1ccccc1 28570662 KSPKIACREMHZGI-QXMHVHEDSA-N 327.391 4.066 0 1 EIAF O=C(Nc1ccccc1)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 53314697 OTQANIANIYQLPE-BOPFTXTBSA-N 344.374 4.151 0 1 EIAF O[C@H](CSc1ccccc1F)Cn1c2c(c3ccccc31)CCC2 84728346 WGUROKWDPQPFFP-AWEZNQCLSA-N 341.451 4.422 0 1 EIAF COc1ccc(S(=O)(=O)/C=C/c2ccccc2C(F)(F)F)cc1 103251833 RBLZVUZPUUKNID-ZHACJKMWSA-N 342.338 4.159 0 1 EIAF O=C(CCCCCCc1nc(-c2cccs2)no1)C(F)(F)F 141489598 OQDQSWQELXRROW-UHFFFAOYSA-N 332.347 4.423 0 1 EIAF Cc1cccc(C)c1C(=O)N[C@@H](c1ccccc1)C12CCC(CC1)CN2 145174304 TVCOLAZYNJSXBP-STDCAVTESA-N 348.490 4.307 0 1 EIAF O=C(Nc1cc2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1 169322424 VQSVBDYFVMWUHI-UHFFFAOYSA-N 334.158 4.352 0 1 EIAF CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)cc2)cc1 473108248 LLXJMDVUYUVECV-KRWDZBQOSA-N 334.799 4.471 0 1 EIAF Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1C 586997068 MMXIJPCHNDIXNV-CQSZACIVSA-N 344.256 4.185 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587155876 NYCGBGLXCXHCEB-INIZCTEOSA-N 339.370 4.117 0 1 EIAF Cc1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587166809 ADUNWPQMSKKSSO-MRXNPFEDSA-N 338.386 4.379 0 1 EIAF Cc1nc2cccc3c2c(c1Cc1ccc(OCCC(=O)O)cc1)CC3 587211737 KQZKRLSQPBYNCW-UHFFFAOYSA-N 347.414 4.086 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(C)C)c1)O2 587399788 KCEZNDIJHQQAPJ-LJQANCHMSA-N 325.408 4.319 0 1 EIAF CC[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423980 MMOPCPZFPWRJFL-CWTRNNRKSA-N 348.320 4.165 0 1 EIAF COc1ccc([C@H](C)[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441859 JDXIBEQFCYZWJA-VVUGWJFESA-N 338.403 4.014 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1cncc(F)c1)(C1CC1)CC2=O 587471334 LBCSGDKNYYEUOE-FQEVSTJZSA-N 341.382 4.150 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]cc1-c1ccccc1)CC2=O 587486794 UGPYHVITZCJCIA-LJQANCHMSA-N 348.402 4.441 0 1 EIAF Cn1cc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 587517383 MFDYMRKIUOOPBD-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF O=C1C[C@@]2(CC[C@@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529828 FCNVBBYDHAXAPG-DENIHFKCSA-N 334.415 4.253 0 1 EIAF Cc1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657356 URBRJSVZEYEFAO-UHFFFAOYSA-N 349.340 4.034 0 1 EIAF COCC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790272 FGSXCGOGNGHRCT-BZNIZROVSA-N 344.268 4.010 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CC)cc1 587870299 DOQOAWCJUKXMFC-UHFFFAOYSA-N 338.382 4.339 0 1 EIAF Cc1cc(Br)cc2[nH]c(C(=O)CCc3ccccc3)nc12 587953405 KDHIKOGOOSFVLB-UHFFFAOYSA-N 343.224 4.449 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(C)ccc3C)nc2c1 587959421 RFWKKSPCKLJWPR-UHFFFAOYSA-N 328.799 4.211 0 1 EIAF COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1F 587970586 KXEUMHQHWWKGSC-UHFFFAOYSA-N 338.382 4.140 0 1 EIAF COc1ccc(-c2nnc3ccc(-c4cccc(F)c4)cn23)cc1OC 653663055 LHJQRUBHTBFRRB-UHFFFAOYSA-N 349.365 4.220 0 1 EIAF O=C1NCCCc2c1c1ccccc1n2CCc1ccc(Cl)cc1 1772603608 BGXCXGKCOFGUOB-UHFFFAOYSA-N 338.838 4.213 0 1 EIAF COc1cccc(C(=O)[C@H]2S[C@H]2c2ccc(Br)cc2)c1 1772657810 JBAUESNVBKLLNJ-JKSUJKDBSA-N 349.249 4.497 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356313307 VZGVYUAWGQJKPO-QYLGYJGISA-N 346.511 4.284 0 1 EIAF CC(C)[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(Cl)cc2)O1 95566595 FFUQJTSTQDCUMW-XJKSGUPXSA-N 336.815 4.390 0 3 EIAF CN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)C1CCCCC1 201332 UZDRAAYNKLNTLH-UHFFFAOYSA-N 341.432 4.412 0 1 EIAF O=C(O)c1ccc2c(c1)[C@@H](NCc1ccccc1)c1ccccc1CO2 13827509 XSROGYUVXWVVEW-NRFANRHFSA-N 345.398 4.156 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@@H]21 14439718 YQGOQPXRMYAFGM-IOMROCGXSA-N 342.435 4.223 0 1 EIAF biogenic C[n+]1ccc2ccccc2c1CCCCc1c2ccccc2cc[n+]1C 28712413 ZGKRBKPULBFLDB-UHFFFAOYSA-N 342.486 4.207 0 1 EIAF O=C1O/C(=C\c2ccc(O)cc2)C(c2ccc(O)c(Cl)c2)=C1Cl 33917544 ZELORUMEECNHKI-AUWJEWJLSA-N 349.169 4.299 0 1 EIAF C[C@@H]1[C@H]2Cc3ccc(N(C)C)cc3[C@]1(C)CCN2Cc1ccccc1 36126851 RWYOXWWPQFYBCZ-NLSFWIRASA-N 334.507 4.477 0 1 EIAF COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1F 40879434 XFDWJFPRZRHWPS-QPEQYQDCSA-N 336.334 4.328 0 1 EIAF S=C(Nc1ccc(Cl)c(Cl)c1)OCCc1ccccn1 40894199 SYZGKQCKZJTUCF-UHFFFAOYSA-N 327.236 4.345 0 1 EIAF CC(C)N(C(=S)SCc1coc2ccccc2c1=O)C(C)C 42921262 XYKGENYFVTYVMZ-UHFFFAOYSA-N 335.494 4.430 0 1 EIAF Cc1nc(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)no1 45286810 JLFKBOGEUSGFBA-DEOSSOPVSA-N 338.388 4.196 0 1 EIAF COc1cc2c(c3c1C(C)(C)[C@H](C)O3)C(=O)C[C@@H](c1ccccc1)O2 49070409 OOMCQCKTKDWACK-WFASDCNBSA-N 338.403 4.460 0 1 EIAF O[C@@H](c1ccc(OCc2ccc(Br)cc2)cc1)C1CC1 66260172 KVUYAESDASPXAX-QGZVFWFLSA-N 333.225 4.472 0 1 EIAF CCCCCC[C@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 101046527 YKJNNNVZUUQNHM-RTBURBONSA-N 349.858 4.454 0 1 EIAF O=C(O)CCCCCCCC[C@@H](O)CCCCCCCC(=O)O 138954460 XSKPTXLSWNXFMY-MRXNPFEDSA-N 330.465 4.368 0 1 EIAF COc1cc2c(cc1Br)CC[C@@H]1[C@H](c3ccncc3)[C@@H]21 169365495 BKRNEVWSNKCMMT-OAUYIBNBSA-N 330.225 4.296 0 1 EIAF COc1cc2c(cc1CC=C(C)C)[C@H](O)C[C@@H](c1ccc(O)cc1)O2 224233299 JVWRNGRTFYPZBX-QUCCMNQESA-N 340.419 4.467 0 1 EIAF CC(C)=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@@H](C(C)(C)O)C3 238738184 LJISNAZUQKRVTR-GOSISDBHSA-N 342.435 4.111 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586880717 BFLMMNBOEPTTBE-AATRIKPKSA-N 334.162 4.030 0 1 EIAF Brc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cn1 587044051 YABYRUCEYAADQC-LBPRGKRZSA-N 332.226 4.110 0 1 EIAF O=C(Nc1cccc(-c2nc3cccnc3[nH]2)c1)c1ccc(F)cc1 587162449 CLTLXNQVPODUKZ-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 587164796 APTBTFCGKNMDGR-UHFFFAOYSA-N 344.752 4.406 0 1 EIAF COc1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587223474 BZEDQQYPVXCYMT-HNNXBMFYSA-N 345.443 4.328 0 1 EIAF Cc1nn(CC(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509886 XVQIPEJQOHLHRB-QGZVFWFLSA-N 346.377 4.042 0 1 EIAF Cc1cc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)no1 587513878 UZECMMZTPJXGIM-LJQANCHMSA-N 348.402 4.359 0 1 EIAF O=C1C[C@H](c2ccc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 587516132 YHNPSUIVMUCUJI-HXUWFJFHSA-N 348.446 4.267 0 1 EIAF CCCC[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798227 YUALIKQBFVKVES-ZBEGNZNMSA-N 344.268 4.154 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)ccc2c1 587935985 XZTHIFZKIRMSAY-GFCCVEGCSA-N 344.418 4.161 0 1 EIAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 2356770669 DSLVSUCNEVMWIG-JVGMLNHNSA-N 344.451 4.458 0 1 EIAF CC(C)[C@@H](N)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61904350 HAJFUHLJLVGLFX-MRXNPFEDSA-N 341.440 4.125 0 3 EIAF O=C1C=C/C(=C2/Nc3ccccc3N2Cc2ccc(Cl)cc2)C=N1 104018200 SHQVVEKVBIYHIH-XMHGGMMESA-N 335.794 4.151 0 3 EIAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@@H]3C=C12 15959008 OCWMOVOEHOFLTA-ZKLZOCEHSA-N 345.527 4.423 0 1 EIAF biogenic COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1nccs1)CC2 25206429 RLHDIXNQLDWPNY-TZMCWYRMSA-N 344.480 4.148 0 1 EIAF biogenic COC[C@@H]1CCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12 26646657 YHEZQOSUVDWMEX-SFHVURJKSA-N 334.463 4.488 0 1 EIAF COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C 43079389 VVQWLPFTVBVFTG-GFCCVEGCSA-N 347.846 4.237 0 1 EIAF O=C(Nc1ccc(Br)cc1)OCCCc1cccnc1 64539008 JZSFIMMYDQYNAN-UHFFFAOYSA-N 335.201 4.025 0 1 EIAF O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1cccs1 95562650 FMYGLVONGBAMMC-UHFFFAOYSA-N 333.416 4.264 0 1 EIAF Nc1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3F)cc1OC2 103273333 QZBMJWSTFBJGKT-UHFFFAOYSA-N 334.350 4.275 0 1 EIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1Cl 104060177 ZEFSWGOUHOBLSU-RIBQPWQFSA-N 346.818 4.213 0 1 EIAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCCC3)cc21 144724721 VMQZDICKSLUXDZ-GOSISDBHSA-N 333.353 4.456 0 1 EIAF COc1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc(Cl)c1O 587046398 RLDJLFTZNVXSOC-UHFFFAOYSA-N 332.787 4.385 0 1 EIAF Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587123554 IXFSNPLNIZVBLZ-GWCFXTLKSA-N 349.360 4.351 0 1 EIAF Cc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2n1 587163338 OSXMWEGFFLFXHD-UHFFFAOYSA-N 331.350 4.303 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587243615 GKXYADMHVSHEMY-UHFFFAOYSA-N 347.296 4.253 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O 587428055 MVYAUSQMMLHKMQ-XOBRGWDASA-N 337.350 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1F)CC2=O 587465980 IMSFPINYBRZNQE-QGZVFWFLSA-N 330.355 4.199 0 1 EIAF COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc(OC)c1O 587786257 SBLFZFCZYWGVCI-UHFFFAOYSA-N 326.396 4.250 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587786552 RPJRTSQDKWRJGY-CVEARBPZSA-N 343.386 4.055 0 1 EIAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790200 IBTQTHLNJZKBJG-MGPLVRAMSA-N 337.236 4.157 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC2(C)C)N1 587815768 QACKTDNFFBXDEE-OELKAKTESA-N 326.253 4.384 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H]2C3(C)C)N1 587831771 XUZUCKSVUGAVMY-FOCYAKJXSA-N 338.264 4.384 0 1 EIAF COc1ccc(/C=C\Cc2nc3cc(F)c(F)c(F)c3[nH]2)c(OC)c1 587931238 ZWHLQCQUTIKLAZ-ARJAWSKDSA-N 348.324 4.253 0 1 EIAF COc1ccc(-c2nc([C@H]3NCCc4cc(C)c(F)cc43)co2)cc1 962096087 ZWMQXAFTSXWORT-IBGZPJMESA-N 338.382 4.033 0 1 EIAF COc1cc(C)c([C@H]2NCCc3cc4cccc(OC)c4nc32)cc1C 963060788 WZGMDBCRUAAYAC-JOCHJYFZSA-N 348.446 4.104 0 1 EIAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1857554933 VXCSVELZOJVNIF-LAUBAEHRSA-N 347.462 4.395 0 1 EIAF OCc1ccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)cc1 1857618950 VXZDBDWHHKZZLD-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF CC(C)=C1CC[C@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCCO 2356694277 YFXSGYVMBQHZCY-PRIDNEQBSA-N 332.440 4.409 0 1 EIAF COc1cccc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)c1 61903408 HJNBDNZCKYTQDQ-FQEVSTJZSA-N 330.387 4.320 0 3 EIAF CC(C)(C)n1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O 26579768 OIJKWDGEGJWNRF-UHFFFAOYSA-N 331.419 4.106 0 1 EIAF O=c1c(NCCC2=CCCCC2)nccn1Cc1ccc(Cl)cc1 35562396 HTCJFZDKWZFIKB-UHFFFAOYSA-N 343.858 4.247 0 1 EIAF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2ccc(F)cc2)n1 82140586 HBLHCDGTQKCHMB-CYBMUJFWSA-N 344.434 4.023 0 1 EIAF NC(=S)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2ccccc2c1 95581682 XFEHHJQRPUGUMO-LJQANCHMSA-N 349.434 4.374 0 1 EIAF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCO)c3[C@@H](C1)C2 100752158 DYEVLJICQPJCQW-STQMWFEESA-N 328.843 4.288 0 1 EIAF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccccc1 103197827 DRLNNVLXRQCTTO-GOSISDBHSA-N 338.457 4.302 0 1 EIAF CC[C@]1(C(=O)NCCc2cccc(Cl)c2)[C@H](C)C1(Cl)Cl 103272511 MZXCPEUWSOWNLM-IINYFYTJSA-N 334.674 4.219 0 1 EIAF CCC1(c2ccccc2)OCC([C@H](c2ccccc2)N(C)C)CO1 169323017 AFWUVUMQSXXSAS-CKHPTIKVSA-N 325.452 4.215 0 1 EIAF C[C@@]12CC[C@@H]3[C@H](CC=C4CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C[C@H]1CN1 253645681 MFWABCGQFDBVQU-SUZWAVOISA-N 327.512 4.496 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 257525714 QSXNOUPYXMWUKT-RERHIFLGSA-N 332.440 4.108 0 1 EIAF endogenous,in-man COc1cc(C(c2ccc(O)c(OC)c2)[C@H](C)[C@@H](C)CF)ccc1O 299831489 QCVRIQWIRBKLSC-QWHCGFSZSA-N 348.414 4.489 0 1 EIAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587066234 KWDCSUZWZPTJNZ-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF Cc1cnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587076969 OHGDHNWATWNXSM-MRXNPFEDSA-N 326.831 4.257 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN1CCC3CC1 587105789 IBUQNBJFGFACCK-UHFFFAOYSA-N 326.399 4.139 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3ccc(F)cc31)O2 587384997 QVDCYFJXWDMWGL-SFHVURJKSA-N 329.396 4.073 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3cc(F)ccc31)O2 587385511 SWDVMBSIWWFGOK-HXUWFJFHSA-N 341.382 4.138 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1C)(C1CC1)[C@@H](C2)C3=O 587444651 FLIDCAYHVHKEIA-PGRDOPGGSA-N 334.415 4.143 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(C)cc31)CC2=O 587480724 GFYFMIBOPWAYRJ-FQEVSTJZSA-N 325.408 4.178 0 1 EIAF C[C@H]1CC(C)(C)CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523964 JLDFCFYYWNBXTB-ZSEKCTLFSA-N 326.436 4.295 0 1 EIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587528097 ZNUQTYJRMCLXAR-LJQANCHMSA-N 338.403 4.289 0 1 EIAF Cc1nccc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 587782547 PJUSRZUQSTXHHC-UHFFFAOYSA-N 331.375 4.218 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 587784773 JBJGPDAWQXXEPM-ZIAGYGMSSA-N 340.810 4.468 0 1 EIAF Cc1ccc(C)c([C@@]2(CO)NCCc3cccc(-c4ccccc4)c32)c1 962670161 QLKRMOSJEBGCAY-XMMPIXPASA-N 343.470 4.352 0 1 EIAF Cc1sc2c(c1C)CCN[C@@]2(c1c(N)sc2c1CCC2)C1CC1 963007277 HTQPUAWWUBYMPG-LJQANCHMSA-N 344.549 4.297 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)CC(=O)C(F)(F)F 963230883 BIBXEKJJBANYDS-CXAGYDPISA-N 327.390 4.470 0 1 EIAF c1ccc(-c2ccc(SCc3cccc4cccnc34)nn2)nc1 1772648603 GIDKGIQXQWAESB-UHFFFAOYSA-N 330.416 4.379 0 1 EIAF CC(C)=CC[C@@H](O)C(C)=CCOc1cc(=O)oc2cccc(C)c12 2356706955 XIQXQZGEDPETFJ-MRXNPFEDSA-N 328.408 4.144 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)c(O)c1C(=O)c1ccc(Cl)cc1 11740069 MXUDACDLCWMNPA-UHFFFAOYSA-N 347.201 4.424 0 1 EIAF CCCCCc1noc([C@@H]2CN(CC)CC=C2c2ccccc2)n1 13782849 XZTFMKDZEJVGFP-GOSISDBHSA-N 325.456 4.305 0 1 EIAF CC(=O)N1N=C(c2ccccc2C(F)(F)F)C[C@@H]1c1ccccc1 28525078 XIBPJUDCIWKEBQ-QGZVFWFLSA-N 332.325 4.403 0 1 EIAF CC(C)[C@@H](Nc1nnc(-c2c[nH]c3ncccc23)o1)c1ccccc1 103245752 IDWMTFSSSIBSAB-MRXNPFEDSA-N 333.395 4.422 0 1 EIAF Cc1cc([C@H](C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144290508 GUWOFQJDSDHCOO-ZDUSSCGKSA-N 347.418 4.007 0 1 EIAF Cc1cccc2c([C@@H](O)C[C@H]3CCCCN3)cc(C(F)(F)F)nc12 169334029 MIZLTSCRUCEYQB-DOMZBBRYSA-N 338.373 4.128 0 1 EIAF Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)ccc1Br 169718589 IWPFPWFVJKESEG-UWVGGRQHSA-N 332.197 4.100 0 1 EIAF CCC(C)(C)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 586880225 DYLKFHNJZPYGDX-UHFFFAOYSA-N 345.244 4.422 0 1 EIAF O=C(O)c1cccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586899350 YTUOIHYMZZCGRR-UHFFFAOYSA-N 330.343 4.301 0 1 EIAF CCc1oc2ccccc2c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 586903281 IITIEVLLHQRIJJ-UHFFFAOYSA-N 349.434 4.479 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3ccccc3cc2[nH]1 587043347 PTOFNVKLKGLYIS-INIZCTEOSA-N 339.464 4.336 0 1 EIAF O=C(O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587052798 NCEKSSVEAKYZGQ-UHFFFAOYSA-N 337.766 4.372 0 1 EIAF Clc1ncc2nc(/C=C/c3cccc(Cl)c3Cl)nc-2[nH]1 587054631 PMBBXQFRKNFKAR-SNAWJCMRSA-N 325.586 4.435 0 1 EIAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(N)ncnc2[nH]1 587073876 NFQNKYZAVUMQHR-UHFFFAOYSA-N 335.798 4.231 0 1 EIAF Fc1c(Br)ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090435 QLRIPJQOQOEXAI-MRVPVSSYSA-N 349.484 4.388 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(O)c1F)CC2=O 587467087 QGFHZYAPTJNQMZ-OAHLLOKOSA-N 334.318 4.035 0 1 EIAF O=C1C[C@@]2(C=COc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 587508305 OXPLVHQWHCNEGA-OAQYLSRUSA-N 336.362 4.471 0 1 EIAF O=C1C[C@]2(CC[C@@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529829 FCNVBBYDHAXAPG-KNQAVFIVSA-N 334.415 4.253 0 1 EIAF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2ccc([C@@H](C)CC)cc12 587641558 HKTKOJWMSIGJGN-LBPRGKRZSA-N 325.412 4.259 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3cc(F)cc(F)c3[nH]2)CC1 587970889 NZOHPCCQMVODJE-UHFFFAOYSA-N 326.346 4.270 0 1 EIAF Cc1c(F)ccc2c1[C@]1(C[C@H](c3ccccc3)OC1(C)C)NCC2 962093332 PQXKOTZJKMJVPV-NQIIRXRSSA-N 325.427 4.415 0 1 EIAF CCCCCC=CC[C@H](O)[C@H](O)CC=CCC=CCCCC(=O)O 2356621019 LRPPQRCHCPFBPE-RBUKOAKNSA-N 338.488 4.382 0 1 EIAF Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1 13799528 DVCPCUJMFMTNPA-UHFFFAOYSA-N 325.452 4.034 0 1 EIAF COc1cc(Nc2ncnc3ccc(Cl)cc23)cc(OC)c1OC 27410226 GFWWUNXJWUCWCG-UHFFFAOYSA-N 345.786 4.053 0 1 EIAF CC[C@]1(C(=O)N[C@H](C)CCc2ccccc2)[C@@H](C)C1(Cl)Cl 29392290 GRWWSKXCVNWJJF-XJKCOSOUSA-N 328.283 4.344 0 1 EIAF O=C(C1CCC1)N1CCCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 35280865 INTBVGDNRFKKFQ-OAHLLOKOSA-N 345.830 4.244 0 1 EIAF CN1Cc2ccccc2C[C@@H]1CN1CCC2(CCc3ccccc32)CC1 35858133 KNNIFYKQWKITRQ-JOCHJYFZSA-N 346.518 4.023 0 1 EIAF COc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCS3)cc1 40505767 JTHALIKYVMMCQQ-UHFFFAOYSA-N 326.396 4.471 0 1 EIAF C[C@H](c1ccccc1)N1CCC2(CC1)O[C@@H](CCO)c1ccccc12 66258314 IXURNWHCTYEQAY-UTKZUKDTSA-N 337.463 4.193 0 1 EIAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101152260 RJSPORZIBKRWHU-ROUUACIJSA-N 340.423 4.048 0 1 EIAF C[C@@H]1[C@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 102120110 LKJVKHWUCSHASQ-ONUMYQOESA-N 328.799 4.356 0 1 EIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 103666460 SGPFPNTZGGCFHK-VZCCSQPZSA-N 333.391 4.456 0 1 EIAF COc1ccc2c(c1)CC[C@@]1(CCCCN1Cc1ccccc1)C2=O 140513243 MWZILVDVEPKFJN-QFIPXVFZSA-N 335.447 4.249 0 1 EIAF CC1(C)CCN(c2ccc(C#Cc3cccc(Cl)c3)cn2)C(=O)O1 144835767 GGBJXKSYGDULJX-UHFFFAOYSA-N 340.810 4.260 0 1 EIAF C[C@@H]1C(=O)c2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586991123 JBVAXHKKKJXQGL-ZJUUUORDSA-N 329.355 4.088 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2C1 587033129 DKUVXKBMXCAFNY-JDNHERCYSA-N 326.425 4.140 0 1 EIAF N=C(N)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048336 HFYMYDNPCJKMGW-NXEZZACHSA-N 345.233 4.425 0 1 EIAF Nc1c(-c2nc3ccc(Br)nc3[nH]2)ccc2ccccc12 587254736 WPIBJYFORSJMQQ-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CCC)C(=O)OCC)CC2=O 587478401 FXSHSQTVNBCQLV-MGPUTAFESA-N 348.439 4.048 0 1 EIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 587530367 TWHMCQQCVVGIMM-CUAOGDNCSA-N 332.443 4.047 0 1 EIAF CC(C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576448 JBENCVKYRZIMPL-RXVVDRJESA-N 349.386 4.478 0 1 EIAF COc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Cl 587781120 PTCDGXVDELLAJU-VMPITWQZSA-N 328.799 4.455 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587785721 OIHOGMLTUBLBFK-OLZOCXBDSA-N 326.783 4.160 0 1 EIAF CSC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587841546 BPCWTKMQOHSBRU-OTYXRUKQSA-N 344.293 4.449 0 1 EIAF Cc1cccc(-n2ncc3c(N[C@H]4C[C@@H]4c4ccccc4)ncnc32)c1 621477846 PNPSBMPJCCVVSA-MJGOQNOKSA-N 341.418 4.092 0 1 EIAF CC1(C(=O)C[C@@]2(C(F)F)NCCc3c(Cl)cc(Cl)cc32)CC1 963102769 FNBNVFISJJVQAU-MRXNPFEDSA-N 348.220 4.359 0 1 EIAF Cc1cnc(NC(=O)[C@@H](C)CCOc2ccc(Cl)c(C)c2)s1 1857548291 MCZZANQGBJFBKM-JTQLQIEISA-N 338.860 4.457 0 1 EIAF C[C@]12CC[C@H](CC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 2356816997 DGNCIMCPMIGWCU-VTBMCCKRSA-N 334.500 4.481 0 1 EIAF Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCCc1ccccc1 6818455 PBNXQVIJEGZASS-UHFFFAOYSA-N 336.410 4.492 0 1 EIAF CO[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)C2=C1C=C(C(C)C)C(=O)C2=O 14442165 PGEGRYFGUKEQBL-WHSLLNHNSA-N 330.468 4.269 0 1 EIAF biogenic Nc1nccn2c(C3CCC3)nc(-c3cccc(OCC4CC4)c3)c12 28885136 KURHPQXMOMJQAI-UHFFFAOYSA-N 334.423 4.035 0 1 EIAF ClC1=NN=C(c2c[nH]c3ccccc23)C[C@@H]1NCc1ccccc1 38160691 DCZBRUFXIOGMBZ-SFHVURJKSA-N 336.826 4.071 0 1 EIAF O=C(O)C1=Cc2c(cc(Cl)c(Cl)c2Cl)O[C@H]1C(F)(F)F 38618616 QHJMMUKBGZTMMK-SECBINFHSA-N 347.503 4.438 0 1 EIAF COc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1 38788940 ZNBNJGDITIBWKS-UHFFFAOYSA-N 340.423 4.223 0 1 EIAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2)c2c[nH]nc2N1 64448726 WAVRZPRJJZCYQU-SFHVURJKSA-N 348.381 4.019 0 1 EIAF Cc1cc(-c2c(Cl)cccc2OCCCC(F)(F)F)nc(N)n1 66156457 SHQYMCWXQPPEMC-UHFFFAOYSA-N 345.752 4.409 0 1 EIAF in-vitro COc1cc(F)c2nc(C)c3c(C)nc(-c4cnccc4C)n3c2c1 73159453 WLBFHVBWNVZOKE-UHFFFAOYSA-N 336.370 4.017 0 1 EIAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3n2C)C1 103169535 NUXFGYRUDWZHFZ-UHFFFAOYSA-N 345.446 4.124 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ccncc3F)nc3ccc(O)c1c23 586987218 BQNFVFFTQRUGAC-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF Brc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031115 AYUXJOPLJFKEOW-UHFFFAOYSA-N 335.226 4.127 0 1 EIAF CCc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076746 OPHHFBHWBMXJFZ-QGZVFWFLSA-N 325.799 4.396 0 1 EIAF O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)F)nc3cccc1c23 587104200 QAHCNXJNGCGOSW-UHFFFAOYSA-N 341.288 4.120 0 1 EIAF Cc1c(-c2cnn(C)c2C)nc2cccc3c2c1-c1ccccc1C3=O 587105287 WUKNUDWLBPCGQI-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF C[C@@H](c1nc2cnccc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128410 LXIZHVOZFVGDKF-YFKPBYRVSA-N 347.703 4.292 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587154245 ANLHTRVXINEXBD-CQSZACIVSA-N 332.306 4.069 0 1 EIAF Fc1cc(C(F)(F)F)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587176513 ODOAFLJDLCUWJT-UHFFFAOYSA-N 338.239 4.403 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Cl)ccc13)O2 587379593 JNJFZBARKVTLHA-QGZVFWFLSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3cc(F)ccc31)O2 587385506 SWDVMBSIWWFGOK-FQEVSTJZSA-N 341.382 4.138 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)nc1)CC2=O 587489317 UGJGGGBVAVUDEM-FQEVSTJZSA-N 341.407 4.019 0 1 EIAF CCCOc1cccc(Cc2nc3cc(Br)cnc3[nH]2)c1 587568486 MOHMNELQBPYROD-UHFFFAOYSA-N 346.228 4.100 0 1 EIAF Cc1c(-c2c(F)cccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587650483 XKQTZTURFAMZFB-UHFFFAOYSA-N 337.803 4.339 0 1 EIAF CCn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756650 SSHIHALEYPSCAU-MGPLVRAMSA-N 337.236 4.033 0 1 EIAF CC(C)OCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792126 LFXOVPUMQXUTFJ-BDJLRTHQSA-N 344.268 4.153 0 1 EIAF CC[C@]1(/C(C)=C/OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812480 ZMHVGHNZINWYNR-GEMJMUDDSA-N 342.252 4.278 0 1 EIAF COc1cc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2cc1C 587925064 JSZDGQDVFOUCSI-UHFFFAOYSA-N 340.423 4.072 0 1 EIAF N=C(N)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958712 HPTFHMZGQXPLMS-UHFFFAOYSA-N 326.403 4.105 0 1 EIAF O=c1oc2cc(O)ccc2c(O)c1Cc1ccc(Cl)c(Cl)c1 653760728 VHZKEVDAMFLVRP-UHFFFAOYSA-N 337.158 4.102 0 1 EIAF Cc1cc2cc([C@@]3(C)NCCc4nc5ccccn5c43)oc2cc1C 962987320 VSZBZVNMRCRUCU-OAQYLSRUSA-N 331.419 4.107 0 1 EIAF CC1(C)Cc2n[nH]cc2[C@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963101551 CKXJJLANEFESSE-QGZVFWFLSA-N 336.266 4.078 0 1 EIAF CC[C@H](C)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177469 JXYASPARRZHBCB-TXMMPKFLSA-N 335.753 4.045 0 1 EIAF COc1ccc(-c2cc(O)nc(-c3ccc(OC)cc3OC)c2)cc1 1857564815 SVLWZOFPXNCHLB-UHFFFAOYSA-N 337.375 4.147 0 1 EIAF CC(C)(C)NC(=O)c1csc([C@H](O)c2ccc(C(C)(C)C)cc2)n1 206058181 XUIANZQAZBJQIN-OAHLLOKOSA-N 346.496 4.051 0 3 EIAF CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 1550393 CZPMNOSNQHHGTD-UHFFFAOYSA-N 343.496 4.440 0 1 EIAF O=C(O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1 1650384 VTIUFWPHRWWKPG-UHFFFAOYSA-N 333.269 4.090 0 1 EIAF CCC(=O)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13584016 ZRMDOZITMKDNBP-SNOUBDJWSA-N 328.452 4.202 0 1 EIAF CCc1ccc([C@@H](c2cc3ccc(OC)cc3o2)n2cncn2)cc1 13680642 BMDUQQUEADJMFC-FQEVSTJZSA-N 333.391 4.233 0 1 EIAF O=C(O)[C@@H]1CCCN(CC[C@@H](Cc2ccccc2)c2ccccc2)C1 13729495 ZMLFETNLPXOENJ-LEWJYISDSA-N 337.463 4.200 0 1 EIAF COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1O 14760186 LRXBLKKDUMOEFS-GJZGRUSLSA-N 344.451 4.475 0 1 EIAF biogenic CC(=O)Oc1ccc([C@@H](OC(=O)C(C)(C)C)c2ccccc2)cc1 40980831 QPRDGAHZJZKWTC-SFHVURJKSA-N 326.392 4.291 0 1 EIAF Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(C)c2C(=O)O)cc1 43203435 CZFJNISURNUQOQ-UHFFFAOYSA-N 326.440 4.111 0 1 EIAF COC(=O)C1=C[C@H](O)C[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 238754615 JSKOGQSOLMLOJZ-FPHIRRGYSA-N 346.467 4.135 0 1 EIAF Cc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 584636942 JTBTYGJFYMKDQG-WIYYLYMNSA-N 334.463 4.483 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 586908286 CIKFPOBMWFJBEY-CABZTGNLSA-N 327.197 4.137 0 1 EIAF CCCc1sc(=N)[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587013342 KZDHPXHPCUYABZ-UHFFFAOYSA-N 326.347 4.070 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2c3c(ccc2[nH]1)CCCC3 587060584 PFWIQDBQXIOVFQ-UHFFFAOYSA-N 325.799 4.347 0 1 EIAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400856 SARDMTXMZQYOFT-FOIQADDNSA-N 347.455 4.061 0 1 EIAF COc1cc2c3c(c1)OC1([C@H]4CC[C@H]1Cc1ccccc1C4)[C@@H](C2)C3=O 587447970 XHDKWYDFCXFELG-LNLFQRSKSA-N 346.426 4.006 0 1 EIAF C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587524759 MTVIYWFXCAMINX-ASSNKEHSSA-N 326.436 4.295 0 1 EIAF Cc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587773296 QIDZNYRISAAGLP-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CSCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587845063 MOBJMICTXRQNBR-CABZTGNLSA-N 332.282 4.307 0 1 EIAF COc1ccc2c(c1OC)[C@](C)(CCc1ccsc1)N(C)[C@H](C)C2 962628415 LYGRJGZEBPLSGT-VLIAUNLRSA-N 345.508 4.490 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C 2356334070 YXIXITUSOJUAND-FNOHPODOSA-N 330.424 4.305 0 1 EIAF CCC(=O)O[C@H](C)c1cccc2oc(=O)c(CC=C(C)C)c(O)c12 14592188 APXCFVYSCAPQIB-GFCCVEGCSA-N 330.380 4.022 0 1 EIAF biogenic COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC2=O 14774389 YUGJHEXCGCZVTH-VFNWGFHPSA-N 344.451 4.374 0 1 EIAF biogenic COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c21 28568255 QYFDJULDEBKKKE-INIZCTEOSA-N 345.446 4.376 0 1 EIAF O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2[nH]ncc2c1 28642011 HCDNKTJUMCHZJG-UHFFFAOYSA-N 335.194 4.191 0 1 EIAF Oc1ccc(-c2nnc(Cc3cccc4ccccc34)s2)c(O)c1 28712191 KYMPGYNWVOFJNE-UHFFFAOYSA-N 334.400 4.360 0 1 EIAF CCCC[C@@]12CC[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821512 ADJOEVXWMGPLRU-ROUUACIJSA-N 335.831 4.063 0 1 EIAF Cc1ncc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)n1C(C)C 53287932 WMEWCRUOYDVJLT-UHFFFAOYSA-N 336.443 4.039 0 1 EIAF COC(=O)c1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 66076703 KDTPTPWYPXIRCH-UHFFFAOYSA-N 331.375 4.115 0 1 EIAF COc1cc(OC)cc(Oc2cc(NCC3CCCCC3)ncn2)c1 82067731 QQDCGQLSGKUGAS-UHFFFAOYSA-N 343.427 4.278 0 1 EIAF Clc1ccc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)cc1 95755477 HWYAMQIVJCFHEU-UHFFFAOYSA-N 339.782 4.138 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2C 101303877 XDCKKLJZZNMBOS-MKXGPGLRSA-N 341.476 4.154 0 1 EIAF Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3C)nc2n1 113421716 PHRXKMLPVHCGBS-UHFFFAOYSA-N 349.463 4.039 0 1 EIAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccccc1)[C@H]2c1ccccc1 118762477 UUVSFNPIVJBHLF-QUCCMNQESA-N 339.398 4.222 0 1 EIAF C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@H]1CN1 118930180 MFWABCGQFDBVQU-VSRDPOAISA-N 327.512 4.496 0 1 EIAF O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 144832149 SCGRQXBWVAHRMZ-MRXNPFEDSA-N 328.437 4.058 0 1 EIAF c1cc(Nc2ncnc3cc4c(cc23)OCCO4)cc(-c2ccc[nH]2)c1 169326860 ADWYKFIMRFTSSW-UHFFFAOYSA-N 344.374 4.140 0 1 EIAF O=C1CCc2ccc(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cc2N1 169704875 FXEKRZUWDWVCFU-SJORKVTESA-N 349.434 4.029 0 1 EIAF O=C1CCC[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)CC1 586883261 ARDJHGHRKAGXIR-MRVPVSSYSA-N 325.181 4.081 0 1 EIAF Clc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039193 CTDVNILXQRGRNN-HOTGVXAUSA-N 329.856 4.163 0 1 EIAF Fc1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1Cl 587041217 LODKCGLNQZWFDU-HZPDHXFCSA-N 347.846 4.302 0 1 EIAF Clc1ccc(-n2cccc2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587052918 TVBDCXDUJBOMRE-UHFFFAOYSA-N 337.766 4.403 0 1 EIAF Clc1ccc(C2=C[C@H](c3nc4ccc(Cl)cc4[nH]3)ON2)cc1 587076655 NNLBUISSZPVPMS-OAHLLOKOSA-N 332.190 4.487 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O 587424695 SHGXDPZESPUIGH-DJJJIMSYSA-N 346.785 4.459 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC)cc1)CC2=O 587472229 ZPHZROGTIBSQML-FQEVSTJZSA-N 325.408 4.267 0 1 EIAF CCOc1cc(O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521967 FPAGJVYEGHYNLA-HXUWFJFHSA-N 338.403 4.376 0 1 EIAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531492 KZSYZWOZQTWLMU-MRXNPFEDSA-N 327.449 4.399 0 1 EIAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2c(C)cc(Cl)cc2c1CC 587624294 GDYGCLWVRQVSHN-GDNBJRDFSA-N 334.847 4.158 0 1 EIAF Cc1c(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cnn1C 587629241 GOJHHZREXKZYHI-UHFFFAOYSA-N 341.720 4.171 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2sccc12 587872516 MCSPWTDEDUVXKN-UHFFFAOYSA-N 340.383 4.082 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3cc(F)c(F)cc3[nH]2)cc1OC 587926706 NKYMPIHBBFQZNE-SNVBAGLBSA-N 332.350 4.205 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587931163 MIXPTBYGOTYTES-JTQLQIEISA-N 335.329 4.332 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(Cl)cs1 963054604 IKRWNUCDAQFRSJ-KRWDZBQOSA-N 330.840 4.193 0 1 EIAF Fc1ccc2c(c1)CC[C@]1(C2)c2c(F)cccc2C[C@H]2CCCN21 963105426 QKBXUIYSSRHXAE-NQIIRXRSSA-N 325.402 4.370 0 1 EIAF Fc1ccc2c(c1)CC[C@]1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963105430 QKBXUIYSSRHXAE-RXVVDRJESA-N 325.402 4.370 0 1 EIAF Nc1n[nH]c2c1c(Nc1ccc(Cl)cc1)nc1cc(F)ccc12 1772625120 VTIZVGQJBJGIGD-UHFFFAOYSA-N 327.750 4.229 0 1 EIAF Oc1cc(-c2ccccc2)ccc1C(O)(C(F)(F)F)C(F)(F)F 1772629176 ORBXCICUKBESFR-UHFFFAOYSA-N 336.231 4.371 0 1 EIAF COc1cc(C(C)C)c(C(=O)CSc2nnc(C)s2)cc1C 1857562879 WICUYULOSCKLRF-UHFFFAOYSA-N 336.482 4.262 0 1 EIAF CC(C)[C@@H]1C(=S)Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]1[O-] 1857754412 BWEJNCDFWWGOGA-MRXNPFEDSA-N 344.867 4.465 0 1 EIAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356660922 VOZNRJDFORFHSI-AYBQMASMSA-N 346.467 4.135 0 1 EIAF COc1ccc([C@@](C)(O)c2nc(-c3cccc(F)c3)cs2)cc1 61926744 XMJUGGDODUDEOO-GOSISDBHSA-N 329.396 4.214 0 3 EIAF Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2NC(C)(C)C)cc1 382930 ZILFVRAHPFBUGV-JXAWBTAJSA-N 333.435 4.127 0 1 EIAF CCCC(=O)Oc1cccc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1 13470983 FBHAIQXGJNLLRJ-UHFFFAOYSA-N 337.375 4.113 0 1 EIAF COc1cc(OC)cc(Oc2ccnc3cc(OC)c(OC)cc23)c1 13859461 RNXKKASQCMYWCJ-UHFFFAOYSA-N 341.363 4.062 0 1 EIAF in-vivo N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1O 13864744 GNIOLAMZAQTKDQ-UHFFFAOYSA-N 343.386 4.197 0 1 EIAF Oc1ccc(-c2nc3cc(O)cc(/C=C\Br)c3o2)cc1 28459266 LYKOIOVFPHLPCR-WAYWQWQTSA-N 332.153 4.272 0 1 EIAF COc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1OC 39214856 ZIPJMOUVSLNQBI-UHFFFAOYSA-N 334.379 4.180 0 1 EIAF O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCc2cccnc21 66157115 LKPVINCYEQIEQM-UHFFFAOYSA-N 341.370 4.093 0 1 EIAF O=S(=O)(Cc1ccccc1)N1c2ccccc2Oc2ccccc21 95578804 XULZJKNLZRGHPZ-UHFFFAOYSA-N 337.400 4.460 0 1 EIAF CCc1cccc2c1n(CC)c(=N)n2CC(=O)c1ccc(Cl)cc1 102967253 XRHFREMWIGNGGS-UHFFFAOYSA-N 341.842 4.041 0 1 EIAF CN1C(=O)C=C[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169322261 YFWPHJWDVIVLDC-ZELOLHMESA-N 343.511 4.175 0 1 EIAF CCCCN1CCN(CC)[C@H]2CCn3c(c(C)c4ccccc43)[C@H]21 253641115 PNGLITRWIUZBTJ-FPOVZHCZSA-N 325.500 4.201 0 1 EIAF CN(CCCN1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1 299821094 JPLWPZMPZMLUDQ-UHFFFAOYSA-N 333.479 4.048 0 1 EIAF Cc1cc(Br)c2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586888832 YTQZTLCYGFRSDV-WOPDTQHZSA-N 345.240 4.273 0 1 EIAF CCCC[C@@H](CO)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991678 VJGLLRGUEFZFJC-ZDUSSCGKSA-N 347.414 4.418 0 1 EIAF Cc1ccc2c(ccc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc32)n1 587070775 HRVWMTJHWVSDED-UHFFFAOYSA-N 335.794 4.498 0 1 EIAF Fc1cnc(Cl)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12 587081456 WWYNPZYSTYIFHC-UHFFFAOYSA-N 335.169 4.407 0 1 EIAF Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1C(F)(F)F 587095359 FNXKVFZJVYTMPG-UHFFFAOYSA-N 348.324 4.252 0 1 EIAF Cc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134578 NAZJLLWIXASUHV-HYXAFXHYSA-N 325.240 4.132 0 1 EIAF O=C(O)c1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1F 587175504 UZPHJXZOAKEEBK-UHFFFAOYSA-N 347.708 4.341 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cnc(Cl)cc3c1)O2 587379643 KABUZZFYBMBWLN-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1C(F)(F)F)O2 587381752 LCOFMTAZNHMAQE-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O 587429333 BDOXEOLIKOHAJN-AOMKIAJQSA-N 347.414 4.158 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2F 587567588 FCNIGXNKMSUFRE-TXPKVOOTSA-N 328.339 4.005 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3ccnc(OC)c3)c(CC(=O)O)c2c1 587644569 ZYNPONPPMZIIES-LBPRGKRZSA-N 338.407 4.379 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]2C3(C)C)N1 587831789 XUZUCKSVUGAVMY-USIYETSWSA-N 338.264 4.384 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)OC(C)(C)C 587862485 BJFPKDWUGBIEFU-UHFFFAOYSA-N 342.317 4.361 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(OC)c2[nH]1 587928137 WUOZUBMOLHBGPL-CYBMUJFWSA-N 326.396 4.131 0 1 EIAF COc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587955756 NLMMAKCXJCLOQU-QGZVFWFLSA-N 329.403 4.341 0 1 EIAF Cc1ccccc1-c1ccc(Cc2nc3ccc(C(=N)N)cc3[nH]2)cc1 587960249 WRHQNQMZVHXFQJ-UHFFFAOYSA-N 340.430 4.413 0 1 EIAF CSc1ccc(-c2cn3c(-c4cccc(CO)c4)cnc3cn2)cc1 653666917 NDMWEUWSQGHWNK-UHFFFAOYSA-N 347.443 4.278 0 1 EIAF c1ccc2ncc(-c3cncc4ccc(O[C@H]5CCNC5)cc34)cc2c1 1911570672 RSOCOGFLQJEDJE-IBGZPJMESA-N 341.414 4.191 0 1 EIAF COc1cccc2c1CO[C@]21Oc2cc(C)cc3ccc(OC)c1c23 2356827650 INXIOQSIMHUQBH-NRFANRHFSA-N 334.371 4.289 0 1 EIAF Cc1nn(Cc2ccccc2)c(C)c1[C@H]1C=C[C@@H](NCc2ccco2)C1 2356833162 IEZAEOHXOBBUAD-VQTJNVASSA-N 347.462 4.343 0 1 EIAF CCOC(=O)C1CCC(CNCc2c(Cl)cccc2Cl)CC1 4670105 QRBLTZSUISQGEI-UHFFFAOYSA-N 344.282 4.453 0 1 EIAF Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCCc2ccccc2)n1 13472723 PEDYEMSEQIYDBQ-UHFFFAOYSA-N 338.842 4.137 0 1 EIAF COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1C2 14815255 FIHZWZBEAXASKA-AATRIKPKSA-N 338.403 4.219 0 1 EIAF COc1c2ccc(c1O)CCCCC(=O)CCc1ccc(O)c(c1)O2 15251138 QNIHUQUCNQQCFX-UHFFFAOYSA-N 342.391 4.127 0 1 EIAF biogenic Oc1ccc(C2=Cc3ccc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1 26957014 IZPZSLYHQNABBJ-OAQYLSRUSA-N 332.355 4.478 0 1 EIAF Cc1ccc2nc(-c3ccc(N4C=NC(N)=NC4(C)C)cc3)sc2c1 29471546 BAEPVIZSWUFNAQ-UHFFFAOYSA-N 349.463 4.171 0 1 EIAF CC(C)(C)CC[C@@]1(C(=O)c2ccc(Cl)c(Cl)n2)CCNC1 62225307 SVDKSLGSXDLGEV-MRXNPFEDSA-N 329.271 4.377 0 1 EIAF O=C(Nc1ccc(F)c(F)c1F)OC1C2CC3CC(C2)CC1C3 72114700 CIJOXJYHHYLVCE-UHFFFAOYSA-N 325.330 4.477 0 1 EIAF CC1(C)CC(=O)c2cc3c(C#N)cn(Cc4ccccc4)c3nc2C1 72322193 FSTXTDDZZXSGGG-UHFFFAOYSA-N 329.403 4.111 0 1 EIAF Cc1cnc(N2CCCC2)nc1NCc1cccc(C(F)(F)F)c1 82202698 ASWDXJXRDRUJOI-UHFFFAOYSA-N 336.361 4.016 0 1 EIAF COc1ccc(/C=C/c2nc3cc(Cl)ccc3[nH]2)c(OC)c1OC 103209862 HRUZOVTWMYHUPH-WEVVVXLNSA-N 344.798 4.413 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCCNC3)cc12 226076886 CQLIGLBBNRBZMC-ZDUSSCGKSA-N 339.414 4.235 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238769820 QJKGZNSDXBIUKZ-AHMRPIEISA-N 332.440 4.108 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@]1(CCc1ccoc1)C(=O)O 238771709 CERIEPIBQSVSFM-PPOGKFSKSA-N 332.440 4.287 0 1 EIAF O=C1O/C(=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 586905955 GWOBFPGYMPIYJQ-ZSOIEALJSA-N 346.264 4.130 0 1 EIAF N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl 587055438 CEQOYAPVPWVELE-SNVBAGLBSA-N 341.629 4.161 0 1 EIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(F)c2[nH]1 587078786 BFUBNAOXEYBSNR-ZDUSSCGKSA-N 328.778 4.079 0 1 EIAF Cc1ccc2c3c(cc(C[C@H]4CCOC4)nc13)-c1ccccc1C2=O 587100576 DMMKGKZNMNOGLE-CQSZACIVSA-N 329.399 4.334 0 1 EIAF Cc1c(-c2cnn(C)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104301 GCXNJTYTNALJSH-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF COc1ncc(F)cc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587176094 MRJLLMFNFXIIGZ-UHFFFAOYSA-N 345.683 4.445 0 1 EIAF IC1=CCCc2c1nc1cccc3c1c2CC3 587212134 DSYSNKLIELQTLR-UHFFFAOYSA-N 333.172 4.056 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)c1)O2 587378962 XSWMOKGYMUQJHQ-QGZVFWFLSA-N 346.224 4.220 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)oc3ccc(O)cc13)O2 587407079 ABSVVRYVIJDOAJ-HXUWFJFHSA-N 337.375 4.218 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O 587431761 RFRCKABADCPGIM-PGRDOPGGSA-N 345.398 4.149 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(OC)cc1F)CC2=O 587468025 WCLNOCLZZCDTGY-KRWDZBQOSA-N 348.345 4.338 0 1 EIAF O=C1C[C@](CO)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587502790 FGBALKNYHWTOML-FQEVSTJZSA-N 342.822 4.072 0 1 EIAF C[C@H]1CCCCN1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517573 PUFKECPFNPUVCJ-YCRPNKLZSA-N 327.468 4.164 0 1 EIAF Cc1cc(C(=O)O)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532366 PUTDIILPYBLIHT-HNNXBMFYSA-N 342.416 4.340 0 1 EIAF O=Cc1ccc(OCCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587566408 LLBVCAMJRZEVIA-UHFFFAOYSA-N 335.190 4.304 0 1 EIAF COc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC 587925990 FFWHKOQSOLEDDW-UHFFFAOYSA-N 336.313 4.190 0 1 EIAF COc1ccccc1OC[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963113511 UPKADLBPJHXLKL-UWJYYQICSA-N 341.426 4.149 0 1 EIAF CCN(C)C(=O)Oc1cc([C@H](C)N2CCCCC2)cc2cccnc12 1857545164 LCMGNBRCZWBPSX-HNNXBMFYSA-N 341.455 4.232 0 1 EIAF Cc1nc(-c2ccn3cc(-c4ccccc4)nc3n2)nc2ccccc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c1ccc([C@@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 45290587 ZFLAGWPSGMOXBW-FQEVSTJZSA-N 347.437 4.279 0 1 EIAF CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N)n2)s1 64527963 DIELJEQOYPDCJF-UHFFFAOYSA-N 345.859 4.323 0 1 EIAF C[C@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1 71334191 SMYQFPQUGLKPLF-JTQLQIEISA-N 334.210 4.142 0 1 EIAF O=C(OCCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1 82086395 CAXZMLMFLANXTP-UHFFFAOYSA-N 344.823 4.258 0 1 EIAF Cc1ccc(Nc2nc(C(=O)N3CCC[C@@H](C)[C@H]3C)cs2)cc1 96283043 YKFSMOUFOXUQLG-ZIAGYGMSSA-N 329.469 4.456 0 1 EIAF COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C=CC=C[C@@H]12 102916898 OVHUTOPKMFWCLP-OSTYVCCYSA-N 342.049 4.006 0 1 EIAF Nc1nc(-c2cccc(Cl)c2)cc(-c2cc3ccccc3oc2=O)n1 103207326 QUBWMONLJQKLKK-UHFFFAOYSA-N 349.777 4.153 0 1 EIAF C[C@H](N=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169684385 JVDJIXURSRFUDF-PUOFRWEFSA-N 347.499 4.196 0 1 EIAF COc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Cl 586896581 UTAJTAHJHXREGB-UHFFFAOYSA-N 330.815 4.496 0 1 EIAF O[C@@H]1C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 586904464 UHOBSYSLSLDSJX-IUODEOHRSA-N 334.297 4.031 0 1 EIAF CSCC(C)(C)c1nc2c(Cl)c(Br)cnc2[nH]1 586969710 WGDBKJGCVHBDMG-UHFFFAOYSA-N 334.670 4.014 0 1 EIAF COc1cc2[nH]c(C(=O)Nc3ccccc3Cl)nc2cc1Cl 587060140 BHSBTSOGBUQFRB-UHFFFAOYSA-N 336.178 4.131 0 1 EIAF N=c1[nH]ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587123351 DDEZAYUTLHRKGT-ZZXKWVIFSA-N 336.342 4.153 0 1 EIAF CC(C)[C@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197559 HNWUYLZHBOFPDU-GFCCVEGCSA-N 338.839 4.175 0 1 EIAF Cc1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)CC2 587207461 FFAVHYJGKMACEQ-UHFFFAOYSA-N 341.208 4.172 0 1 EIAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3[C@@H]2C1)CC5 587211785 IIXMYIGQNYTINI-UKRRQHHQSA-N 336.435 4.155 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 587233285 LUVDIZKCIQJMFD-JQWIXIFHSA-N 335.835 4.377 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1)O2 587382370 PDVVJBUXVGPPQU-QGZVFWFLSA-N 335.325 4.477 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)C 587399936 NRWZGXOTANVSSE-IBGZPJMESA-N 325.408 4.416 0 1 EIAF CC[C@@]1([C@@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523612 LEWCIHCLQGZFHP-NQIIRXRSSA-N 344.451 4.125 0 1 EIAF Cc1c(-c2cccc(N)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623512 UMFRYIQCDHNTPP-UHFFFAOYSA-N 341.212 4.364 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587937600 PUUPFTLHCBFOPG-QGHHPUGFSA-N 346.814 4.071 0 1 EIAF C1=C[C@H]2C[C@@H]1C[C@@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647629 VZTZTJRYLXQERN-BTDSVWAKSA-N 342.486 4.225 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3CCO[C@H]2CCCCO2)cc1 962659180 AYLFUJWBLFGYOJ-YADHBBJMSA-N 337.463 4.474 0 1 EIAF Cc1c([C@H]2c3ccsc3CCN2Cc2ccco2)nc2ccccn12 962718923 WWZKXPKWGFTKOA-HXUWFJFHSA-N 349.459 4.445 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356738557 LDIFWCUQQYZOLG-PMSINLGRSA-N 346.511 4.020 0 1 EIAF COc1ccc(C)c2sc(NC(=O)c3cc(F)cc(F)c3)nc12 84687141 IZFPDGLILAGHCF-UHFFFAOYSA-N 334.347 4.144 0 3 EIAF CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1[C@@H](C)C1CC1 13487174 DPPFMUFJTVIRCS-ZDUSSCGKSA-N 336.439 4.344 0 1 EIAF c1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1 13488416 JPJGXLPIGIIQQS-UHFFFAOYSA-N 329.403 4.053 0 1 EIAF O=C(O)[C@H]1CCCN(CCc2oc3ccccc3c2-c2ccccc2)C1 13729480 QMENRGAAMXIYKD-KRWDZBQOSA-N 349.430 4.439 0 1 EIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)c4ccccc4)c3)cc12 14957874 AQPXLTYTCOZDFT-HXUWFJFHSA-N 344.418 4.012 0 1 EIAF CO/C=C(C(=O)OC)\C(C)=C(/C=C/c1ccc2ccccc2c1)OC 26644878 SCICALQYYNMIQW-DXBXXLOMSA-N 338.403 4.477 0 1 EIAF C[C@@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1 28971575 GQRJTYJYJFZKMB-MRVPVSSYSA-N 349.221 4.241 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(O)C(F)(F)F 29554401 KUAIWVAYBRZSER-MHORFTMASA-N 340.385 4.486 0 1 EIAF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccccn2)n1 34817158 PVUDHAKHFHXHKR-JLTOFOAXSA-N 347.805 4.174 0 1 EIAF O=C1Cc2ccccc2N1CCCCN1CCC[C@@H](c2ccccc2)C1 40422491 ZKPFKNIFSQQQET-OAQYLSRUSA-N 348.490 4.236 0 1 EIAF c1ccc([C@@H]2CC3(N4CCCC4)CNCC2[C@H](c2ccccc2)C3)cc1 68266834 WNGKMIXRPSZBEG-WOLZVPSQSA-N 346.518 4.402 0 1 EIAF COc1cccc(-c2nc(CN[C@@H](C)CCc3ccccc3)co2)c1 72180634 XHHKSULLJUBEHK-INIZCTEOSA-N 336.435 4.461 0 1 EIAF CC(C)Nc1nc(-c2ccco2)nc2ccc(/C=C/C(C)(C)O)cc12 89455645 INWQHHRLNZWEFG-MDZDMXLPSA-N 337.423 4.494 0 1 EIAF in-vivo C[C@@H](Sc1ncccn1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586963031 WWAPCARYCUXWCG-MRVPVSSYSA-N 340.330 4.105 0 1 EIAF Oc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(Cl)c1 587058015 ZIMXMXXJKFPTBN-UHFFFAOYSA-N 339.576 4.057 0 1 EIAF CCOc1n[nH]c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1Cl 587065683 XPCNYXDCBCOKPS-UHFFFAOYSA-N 330.697 4.024 0 1 EIAF Nc1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cnc2c(F)cccc12 587176761 QVMOHALYSQYKIQ-UHFFFAOYSA-N 348.168 4.201 0 1 EIAF COc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587235029 CIFXOCIFAAXRHB-ZIAGYGMSSA-N 345.443 4.122 0 1 EIAF Cc1ccc(NC2(c3nc4cccc(C(=O)O)c4[nH]3)CCCC2)cc1 587237262 PANZYDYQXGYYRU-UHFFFAOYSA-N 335.407 4.451 0 1 EIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587239110 IBBNUMIPTRGCBE-UHFFFAOYSA-N 335.194 4.336 0 1 EIAF COc1cc2c3c(c1)O[C@](/C=C1\CCCO1)(c1ccccc1)[C@@H](C2)C3=O 587452061 IRZTXDBRPCORAJ-VLFFJESKSA-N 348.398 4.032 0 1 EIAF C[C@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508158 SJYJQVLQJSLPHW-HXUWFJFHSA-N 344.357 4.430 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC21CCCC1 587605210 YGCVRKDPDKSNHA-UTKZUKDTSA-N 336.387 4.447 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 587824000 SVPVXXCGLDKCGZ-OFQAXXNZSA-N 336.248 4.376 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C)cn1 587862952 MRGAAIGNJCDNFY-UHFFFAOYSA-N 333.313 4.270 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)cc1 587936033 PTQOWDNZCSMTHY-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)cc1 618005647 NQHMHLDBCMIZQC-UZLBHIALSA-N 338.407 4.163 0 1 EIAF Nc1nc2c(s1)[C@@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962666404 MBSSMWBXQXUZAX-NRFANRHFSA-N 347.487 4.118 0 1 EIAF Nc1cccc2c1CC[C@@]21NCCc2cccc(-c3ccccc3)c21 962666772 LARSBCAWAQKBHP-HSZRJFAPSA-N 326.443 4.271 0 1 EIAF COc1ccc2[nH]cc([C@]3(C)NCCc4c3sc(C)c4C)c2c1 963014097 SWGWFCLMDFXLIA-IBGZPJMESA-N 326.465 4.264 0 1 EIAF c1ccc([C@@H](OCCn2ccnc2)c2nc3ccccc3s2)cc1 1772607108 MRKNRQHXBIYHDI-GOSISDBHSA-N 335.432 4.299 0 1 EIAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCNCCCN 1911583613 VRLUOSRDBLQUCH-ZDSQGGIMSA-N 335.580 4.324 0 1 EIAF O=C(O)CCC[C@H](O)C=CC=CCC=CCC=CCCCCCO 2356343122 IWYJGYZCHKEPCK-LJQANCHMSA-N 336.472 4.160 0 1 EIAF CC(=O)Oc1ccc(C=CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 2356587137 ZOEUHNIOVXZVKT-HGHGUNKESA-N 342.435 4.383 0 1 EIAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccccn12 13765507 OQZYUTXRZKYDMY-UHFFFAOYSA-N 335.451 4.192 0 1 EIAF C[C@@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C(F)(F)F)cc1 14973755 SLVGTOOOMMCFEW-SNVBAGLBSA-N 348.328 4.464 0 1 EIAF CCc1nnc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc12 27194050 FZNLULCNCVCWKJ-UHFFFAOYSA-N 348.233 4.493 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@H]1N2C 28132970 XDCKKLJZZNMBOS-MANSERQUSA-N 341.476 4.154 0 1 EIAF CCC[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954176 UZTJQMQMSULLOR-NSHDSACASA-N 327.133 4.420 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc(F)cc1 82157397 LRCNSIPBUALDOY-FQEVSTJZSA-N 334.350 4.218 0 1 EIAF COc1ccc(Cn2ccc(=O)c3cc(C(F)(F)F)ccc32)cc1 102419213 CIFBQCKUQAGJTB-UHFFFAOYSA-N 333.309 4.077 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@@H]1c1sccc1C 102661542 BFRCJFXALGSASK-SUCHYCSPSA-N 349.452 4.258 0 1 EIAF CC(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 103283893 SSTFAQARXUDMNY-MSEWRSJXSA-N 344.499 4.128 0 1 EIAF CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 169365639 WPMYIIBVFOXKEL-XITVERIXSA-N 347.543 4.381 0 1 EIAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O 169720216 PQTMSGVZUGBSRD-BLVKFPJESA-N 328.408 4.273 0 1 EIAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](O)c1ccccc1 299831880 OPUOXMIRHWMTEI-QGZVFWFLSA-N 329.783 4.080 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1 586915077 ACTUTARRTYFWPX-HXPMCKFVSA-N 342.345 4.058 0 1 EIAF Brc1nccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042824 NANUPEFENRKWKE-NSHDSACASA-N 332.226 4.110 0 1 EIAF Cc1ccnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587133968 GQJLSLDACMZRFX-NSCUHMNNSA-N 325.240 4.132 0 1 EIAF Fc1cc(Br)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587161194 MPOLTAPZICYHAE-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF CC(C)[C@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197759 MQTMTSACUVDGAY-GFCCVEGCSA-N 338.839 4.175 0 1 EIAF Cc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1C 587232713 AQPFWVVAGFQOHT-KBPBESRZSA-N 329.444 4.341 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1cccnc1)CC2=O 587492071 WMAZHXKWQSBOMG-DYESRHJHSA-N 337.419 4.411 0 1 EIAF CCCc1ccc([C@]2(c3ccccn3)NCCc3ccc(O)cc32)cc1 963351176 FJSABCRTTIVVMV-QHCPKHFHSA-N 344.458 4.177 0 1 EIAF Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)ccc23)cc1F 1772575359 UIGLXZWGNZLPBE-UHFFFAOYSA-N 329.228 4.483 0 1 EIAF CC[C@H](NCCCO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 1772629272 UQPGUWUFHCEKDE-INIZCTEOSA-N 349.833 4.133 0 1 EIAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C[C@@H](O)C(C)C 2356731870 JMZZBVNSDNHLIV-FFGOWVMKSA-N 328.537 4.306 0 1 EIAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(C)nc3)c(C)nn12 13583119 CJUMKBYLDDALRW-UHFFFAOYSA-N 337.471 4.343 0 1 EIAF CCCNCCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1C 28771988 XFDYCBQRAWWJEL-MRXNPFEDSA-N 349.478 4.178 0 1 EIAF C[C@@H](O)[C@@H]1[C@H](C)C[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801347 YNZAQRSPHOQQKX-JHLBKOOHSA-N 347.543 4.093 0 1 EIAF CCN1CC2CC1([C@H](NC(=O)c1c(C)cccc1C)c1ccccc1)C2 68245426 CRHBNKXKYWDCGB-JRSYVHTFSA-N 348.490 4.259 0 1 EIAF CC[C@@H](C)Sc1nc([C@H](CC)c2c(F)cccc2F)cc(=O)[nH]1 72116405 OZVSZDNAISPGMO-MNOVXSKESA-N 338.423 4.481 0 1 EIAF CC(C)([C@@H]1CS1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 87721924 RNMCKVPFRDEDQD-INIZCTEOSA-N 334.462 4.147 0 1 EIAF c1ccc(-c2n/c(=N\Cc3cccnc3)sn2-c2ccccc2)cc1 101506428 ZNSFCSODMWSTIU-LSDHQDQOSA-N 344.443 4.097 0 1 EIAF FC(F)(F)c1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1 164840146 PSLRFCGFAODRSP-UHFFFAOYSA-N 329.285 4.034 0 1 EIAF Cn1c(-c2cccc(Cl)c2)cs/c1=N\C(=O)c1ccccc1 207453285 MTGJJMZPYNPVLQ-ZPHPHTNESA-N 328.824 4.148 0 1 EIAF Clc1ccc([C@H](C[C@H]2CCCCO2)Cn2cncn2)c(Cl)c1 230558425 ZLCZZBPSNLEAIT-TZMCWYRMSA-N 340.254 4.328 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 253642458 YWDPQXQHYYMNDR-GBAJDQEWSA-N 349.474 4.475 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587125185 QUELUNWVFYNDJR-NOZJJQNGSA-N 335.333 4.042 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2C[C@@H]1C 587380022 OCRYREYYYWHSPV-WLRWDXFRSA-N 327.811 4.284 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc3ccncc13)O2 587394397 GHSLKQIGGZJZBT-MRXNPFEDSA-N 332.403 4.092 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccccc1OC)CC2=O 587483076 UPAPARBDYFEGJD-NRFANRHFSA-N 340.419 4.320 0 1 EIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccs1 587661281 NCNYNZCRINAIDU-UHFFFAOYSA-N 336.391 4.312 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@H]2C3(C)C)N1 587831764 XUZUCKSVUGAVMY-ARCMYPMTSA-N 338.264 4.384 0 1 EIAF O=C(c1cc(-c2ccccc2)[nH]n1)n1nc2cc1Oc1ccc(F)cc1-2 587876306 QMFVEFFZLVPFOU-UHFFFAOYSA-N 346.321 3.874 0 1 EIAF Clc1ncnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587949481 UOPNOBCARQVGCK-UHFFFAOYSA-N 336.782 4.389 0 1 EIAF COc1cc(OC)cc(-c2nn[nH]c2-c2cc3ccccc3s2)c1 653764323 AQQUMKGWYUHLTE-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF C[C@@H](Oc1cc(-c2cncnc2)cnc1N)c1cc(F)ccc1Cl 1911579468 FATWIKWDMICKIP-SNVBAGLBSA-N 344.777 4.053 0 1 EIAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2cccc(F)c2)cs1 61928678 ZYLKWGSOUWMKBK-QGZVFWFLSA-N 326.396 4.175 0 3 EIAF COc1cc2[nH]c(-c3ccc(C)cc3)cc(=O)c2cc1-c1cnco1 13487588 NDACTGITQVDOGY-UHFFFAOYSA-N 332.359 4.167 0 1 EIAF CC(C)Cc1ccc([C@@H](C)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)cc1 29415640 UZRZFHJTHKHIRC-AZCLRUCKSA-N 329.484 4.157 0 1 EIAF CSc1cc(CO)cc(Br)c1-c1ccc(O)cc1 29463825 YHEISPQNXIPQCC-UHFFFAOYSA-N 325.227 4.036 0 1 EIAF O=C(Oc1noc2cc(Cl)ccc12)N1CCC(C(F)(F)F)CC1 36488876 WIWFHDJSYIPMFX-UHFFFAOYSA-N 348.708 4.254 0 1 EIAF NC[C@@H](CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40893573 YDRKDXNMZVEHNN-HNNXBMFYSA-N 348.475 4.446 0 1 EIAF O=C1C[C@H](c2ccc(F)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21 63539436 UCNGSKHMBNVWNA-LLVKDONJSA-N 341.769 4.233 0 1 EIAF Cc1cc(NCc2cncn2Cc2ccc(F)cc2F)ccc1F 96940288 HTDQXKUWEIGCCM-UHFFFAOYSA-N 331.341 4.269 0 1 EIAF C=CCCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166378843 UZDMGBIZEWMOCY-UHFFFAOYSA-N 335.407 4.139 0 1 EIAF Cc1cccc2c([C@H](O)C[C@H]3CCCCN3)cc(C(F)(F)F)nc12 169334030 MIZLTSCRUCEYQB-IUODEOHRSA-N 338.373 4.128 0 1 EIAF Cc1ccc2c(c1)c1cc(Br)ccc1n2CCC(=O)O 218603521 STEPEEHQDRNFGF-UHFFFAOYSA-N 332.197 4.340 0 1 EIAF CCCC(Br)(CCC)c1nc2nc(Cl)c[nH]c-2n1 586971173 OAESCIDFECHOFZ-UHFFFAOYSA-N 331.645 4.148 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086173 VTFAUNLPNJCLPE-MRXNPFEDSA-N 337.770 4.155 0 1 EIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Cl)cc2[nH]1 587115759 AFWZTYMZIVJWNK-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF Fc1ccc(/C=C/c2nc3cc(Br)ncc3[nH]2)c(F)c1 587149160 MENJATNXKGJLBF-DUXPYHPUSA-N 336.139 4.169 0 1 EIAF COc1cc(C(=O)c2coc3ccc(Cl)cc23)cc(OC)c1OC 587275726 FBOIQRMIBPJHPN-UHFFFAOYSA-N 346.766 4.343 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1OC(F)F)O2 587381232 DHDLIHILMWJNGH-AWEZNQCLSA-N 337.297 4.024 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCCc4ccc(F)cc41)[C@@H](C2)C3=O 587428951 RFNREDHUBGJMMD-UWJYYQICSA-N 338.378 4.204 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@H]1CCCCC1=O)CC2=O 587481554 MRUAYBIDXFGFAI-XCLFUZPHSA-N 330.424 4.218 0 1 EIAF Cc1nc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587496365 BLJTZENBBCNGPY-INIZCTEOSA-N 328.799 4.024 0 1 EIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587522118 FADKIXBZGCDALJ-QVKFZJNVSA-N 342.435 4.023 0 1 EIAF Cn1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)n1 587629545 BBBFANGLKFCXIM-UHFFFAOYSA-N 345.683 4.106 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4ccc(OC)nc4[nH]3)ccc2c1 587934244 GIWOQFOEGFOKFD-GFCCVEGCSA-N 333.391 4.280 0 1 EIAF CC(=O)Nc1cc(-c2ccccc2-c2ccccc2)cn2c(C)nnc12 1857571038 ZRLQHHBFUDNWHD-UHFFFAOYSA-N 342.402 4.330 0 1 EIAF O=S1(=O)c2ccccc2[C@H](Nc2ccccc2)N1c1ccccc1 5593474 VXCHCAXOIAGERL-LJQANCHMSA-N 336.416 4.006 0 1 EIAF CC[C@@H](C)c1ccc([C@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 28252662 SFWTUIATIJIIIF-FOIQADDNSA-N 343.540 4.302 0 1 EIAF O=C(Nc1ccccc1F)c1cccc2[nH]c(-c3cccnc3)nc12 28369725 ZCHKCLPVSFQUFC-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF CC(C)COc1ccc(Cl)cc1/C(=C\CN(C)C)n1ccnc1 28764475 OHFSTPFKLUPEKH-REZTVBANSA-N 333.863 4.022 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133234 JBQPFQDHEWMIEY-AWEZNQCLSA-N 338.455 4.026 0 1 EIAF CCO[C@H](Cc1ccc(OCC/C=C/c2ccccc2)cc1)C(=O)O 95607627 ATOJSKIVMIIENM-CLOLKSBNSA-N 340.419 4.201 0 1 EIAF CCc1c(O)n(-c2ccc(Cl)cc2)c(-c2cccs2)cc1=O 100570772 MSHLTHMQPCEIHB-UHFFFAOYSA-N 331.824 4.487 0 1 EIAF C[C@@H](O)CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920112 PZBUGHMAFKALLO-MSSFJORFSA-N 348.527 4.364 0 1 EIAF NCCNCCNC(CCC1CCCCC1)CCC1CCCCC1 169315392 MOCLVZVDFGLCDL-UHFFFAOYSA-N 337.596 4.214 0 1 EIAF CCCC(=O)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1CCC 169347815 RKYFDENWZJTJMR-UHFFFAOYSA-N 342.830 4.380 0 1 EIAF Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)ncc(=O)n1C 261101967 GNOKTYDQPLHTGK-UHFFFAOYSA-N 347.418 4.129 0 1 EIAF CCc1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2c1 586916926 PMQIDNCWLPELME-HRAATJIYSA-N 334.419 4.342 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587087718 OADXTNBPRKWKGB-UHFFFAOYSA-N 329.718 4.202 0 1 EIAF Fc1cc(Br)ccc1-c1nc2cc(Cl)cnc2[nH]1 587143018 SCFGRVOOHJMCFN-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF O=C(/C=C/c1nc2cc(Cl)cc(F)c2[nH]1)Nc1ccc(F)cc1 587166789 JADYEKNDMAUFQW-AATRIKPKSA-N 333.725 4.146 0 1 EIAF O=C(O)c1cccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174066 FGIKCNJCPCDYAU-UHFFFAOYSA-N 329.718 4.202 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cc(Cl)ccc31)O2 587379838 LJNYMGVMBIUHFA-IBGZPJMESA-N 327.811 4.428 0 1 EIAF CCOc1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587395280 AMERNXKSOILILU-LJQANCHMSA-N 336.391 4.164 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]cc1-c1ccccc1)O2 587396703 NYIXHPGREMFKNB-OAQYLSRUSA-N 332.403 4.453 0 1 EIAF COc1cc2c3c(c1)O[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587423583 UUSKXXSDLRVDRS-IUODEOHRSA-N 349.213 4.361 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1csc4c1CCCC4)[C@@H](C2)C3=O 587453526 QYDYFSQVSZPJMJ-DJJJIMSYSA-N 326.417 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCF)cc1)CC2=O 587465062 FYLBIHCCJRAUMD-IBGZPJMESA-N 344.382 4.400 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)CC1CCOCC1)CC2=O 587482295 DRQAARVKAFTEEB-BFUOFWGJSA-N 332.440 4.131 0 1 EIAF CCOCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534079 ARIJOMBJVVEVAY-MRXNPFEDSA-N 343.448 4.265 0 1 EIAF CSc1nn2cc(-c3nc4ccc(Cl)cc4s3)nc2s1 653664343 BEXADBMDGSXGTL-UHFFFAOYSA-N 338.870 4.443 0 1 EIAF COc1cc2c(cc1OC)[C@](C)(c1oc(C)cc1C)N(C)[C@@H](C)C2 962624082 DCJPYYPBUSEZOF-RNODOKPDSA-N 329.440 4.054 0 1 EIAF COc1ccc2c(c1)[C@@]1(C)Cc3nc(N)sc3C(C)(C)[C@@H]1CC2 1772620234 JLEHYZDWGMWYDR-HNAYVOBHSA-N 328.481 4.088 0 1 EIAF ClC1=C(CN2CCOCC2)CCc2nc(-c3cccs3)ccc21 1857598296 OFCQKZKCYPETMW-UHFFFAOYSA-N 346.883 4.038 0 1 EIAF CC=C(C)[C@@H]1C(C)=C[C@H]2[C@@H]([C@@H](C)CC[C@H]2O)[C@@H]1C=CC=CC(=O)O 2356759123 KNDPLJZJPQWOMQ-CWRMHTOCSA-N 330.468 4.365 0 1 EIAF COc1cc(-c2c(CCO)sc3ccccc23)cc(OC)c1OC 95569585 JOGYFVSTYHTMTI-UHFFFAOYSA-N 344.432 4.129 0 3 EIAF CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775350 JRUSTDCMGALGRF-UHFFFAOYSA-N 330.384 4.347 0 1 EIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N(C)C 4294916 AIJREPSKMXDITA-RTBURBONSA-N 346.471 4.187 0 1 EIAF COc1ccc(CC(=O)N2CCS[C@H]2c2ccc(C)c(C)c2)cc1 38149962 NVIFXZQHKMXUHA-FQEVSTJZSA-N 341.476 4.129 0 1 EIAF Fc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173946 HUGZHPVNYMBTJI-UHFFFAOYSA-N 329.338 4.192 0 1 EIAF O=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 103248121 MPQWUHNNYQUMAV-MDZDMXLPSA-N 330.302 4.289 0 1 EIAF CCOC(=O)c1c[nH]c2ncnc(-c3ccc(-c4ccccc4)cc3)c12 218976969 JKDFAIDFNLNJDT-UHFFFAOYSA-N 343.386 4.469 0 1 EIAF CC1=CC[C@H]2[C@](C)(C(=O)O)C[C@H](O)C[C@]2(C)[C@H]1CCc1ccoc1 238755772 ULTPTACJJRNXEW-JEIKXUOUSA-N 332.440 4.047 0 1 EIAF COc1cc2ncnc([C@@H]3CCc4ccc(Cl)cc43)c2cc1OC 474607974 KUPWRWKMDGKQKQ-CYBMUJFWSA-N 340.810 4.379 0 1 EIAF CCC(=O)CCc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586990374 CFKZXHOUYXULMP-UHFFFAOYSA-N 345.398 4.372 0 1 EIAF FC(F)(F)OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587125119 PVTZIOQHHZSLLU-UHFFFAOYSA-N 334.603 4.151 0 1 EIAF COc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1F 587161470 RIFWJJZZAOPGSM-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF Fc1ccc2c(-c3nc4c(Br)ccnc4[nH]3)coc2c1 587173819 AWTGORLACNYBGN-UHFFFAOYSA-N 332.132 4.273 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccccc31)O2 587396551 LTWXEXJBXIQGMA-NRFANRHFSA-N 332.403 4.256 0 1 EIAF COc1cc2c3c(c1)O[C@H](C1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587418783 ASOIKPSDMKZKTK-SZGBFCBHSA-N 340.341 4.180 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)cc1O)CC2=O 587482520 UFJGECGPYHGYAI-IBGZPJMESA-N 342.391 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(O)c3n1)CC2=O 587490219 PJHHZDLOUANDDL-IBGZPJMESA-N 349.386 4.305 0 1 EIAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(N)cc2O1 587507064 ACAYBRVUWCLIMY-JOCHJYFZSA-N 347.414 4.305 0 1 EIAF Cc1cc(C=O)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534712 XPUNGTRGDDMDPP-IBGZPJMESA-N 336.387 4.098 0 1 EIAF O=C1C[C@]2(CC[C@@H]3SCCS[C@@H]32)Oc2c1ccc1c2CCCC1 587537788 KBQGIZPQZNAKSM-WDSOQIARSA-N 346.517 4.280 0 1 EIAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)c(C)n1 587634201 UMCKXTUGFROELA-UHFFFAOYSA-N 339.292 4.082 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587785742 OLLFVQFMCCHDHC-NEPJUHHUSA-N 344.773 4.299 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 587787325 URFVOJANBKYFNA-LSDHHAIUSA-N 349.434 4.199 0 1 EIAF CSCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587843511 IPQFEUZWHWZGAH-XPTSAGLGSA-N 332.282 4.307 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)c(F)c1 587870499 ATIOYHQSVLBCEL-UHFFFAOYSA-N 346.308 4.055 0 1 EIAF FC(F)(F)c1nc(Cl)[nH]c2nc(CC3CCCCCC3)nc1-2 587961020 OUBGAABTMVTGHP-UHFFFAOYSA-N 332.757 4.490 0 1 EIAF C[C@@H]1CC[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(=O)CCC(=O)O)CC[C@]23C)C1 653889627 SQMULUMIKGAUHR-IRODIIKFSA-N 336.472 4.416 0 1 EIAF Cc1sc2c(c1C)CCN[C@]2(C)[C@@H]1CCc2ccccc2C1=O 963035106 YXAIYSRXSIGERF-YLJYHZDGSA-N 325.477 4.171 0 1 EIAF C=C1NC(=O)C2=C1CC[C@H]1[C@@]2(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 1772609775 JCCXOGGMYYZPJA-OSYWVQGVSA-N 343.467 4.034 0 1 EIAF Cc1ccc([C@@H](c2ccccc2)[S@](=O)Cc2cncs2)cc1 1857556439 WMJNCYWJEPGMOC-XMSQKQJNSA-N 327.474 4.490 0 1 EIAF CC1(C)O[C@H]2C[C@@H](C(C)(C)C)OC(=O)[C@H]2[C@@H](CCc2ccccc2)O1 2356700814 GOQCQYCRBQFACB-OWSLCNJRSA-N 346.467 4.117 0 1 EIAF COc1ccc(-c2csc([C@H](NC(C)=O)c3ccccc3)n2)cc1 61907848 KUWQTMJWFMPYAK-GOSISDBHSA-N 338.432 4.044 0 3 EIAF O=C1Cc2c([nH]c3c(Br)cccc23)-c2ccccc2N1 1856897 YKGKBQYSHBGZQB-UHFFFAOYSA-N 327.181 4.092 0 1 EIAF COc1ccc(-c2csc(Nc3ccc(C)cn3)n2)c(OC)c1 13141386 XHYXLHQWLQBJFD-UHFFFAOYSA-N 327.409 4.274 0 1 EIAF CCCN(CCC)C(=O)c1c(Cl)c2cccnc2n2c(C)cnc12 13214801 OLGADBZYLNDLNO-UHFFFAOYSA-N 344.846 4.107 0 1 EIAF CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OCC 13584596 QYSKRAPANBEBOV-UHFFFAOYSA-N 340.375 4.266 0 1 EIAF OCc1cccc(Oc2c(O)cccc2CCc2ccc(O)cc2)c1 14491182 PSVRZFDYNDLGCA-UHFFFAOYSA-N 336.387 4.168 0 1 EIAF biogenic O=C1Nc2ccccc2[C@]12O[C@H](COc1ccccc1)CC1=C2CCC1 66104976 FXGPKUFCWFCRPI-JTSKRJEESA-N 347.414 4.182 0 1 EIAF Cc1cn(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)c(C)n1 72101938 UTENGLXYFSOCFR-UHFFFAOYSA-N 337.301 4.102 0 1 EIAF CCCN(CC)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CCF 73197503 AMCHMCFQZZZVHL-MRXNPFEDSA-N 330.447 4.289 0 1 EIAF Cc1ccccc1[C@@H](O)c1nnc(Nc2c(C)cccc2C)s1 82083807 SXSHAULVAROVFE-MRXNPFEDSA-N 325.437 4.289 0 1 EIAF CCCCC[C@H](O)/C=C/C=C/[C@H](CCCCCCC(=O)O)CNC 85491009 OHARIIBWMLIIBY-MPQBQONUSA-N 339.520 4.301 0 1 EIAF biogenic,in-vitro O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)cc1 117719032 JPRBVBXURMPBDH-HNNXBMFYSA-N 348.368 4.425 0 1 EIAF CCOC(=O)C1=C(C)NC(c2ccccc2)=C[C@@H]1c1ccc(OC)cc1 169348097 JYPNNRSXCADAMA-LJQANCHMSA-N 349.430 4.260 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]([C@@H]3CCN3)CC[C@H]12 253688716 KDUCRLNKTPIPLA-BPZVCCRHSA-N 329.528 4.288 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2c(Cl)c(Cl)cnc2[nH]1 586880914 CZSQFZFMPJWQLK-WAYWQWQTSA-N 334.162 4.133 0 1 EIAF Cc1c(Cl)ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913905 UWZQTBFRJJBUTO-UHFFFAOYSA-N 342.826 4.327 0 1 EIAF Cc1cc2c(Br)ccc(-c3nc4ccnc(O)c4[nH]3)c2o1 587004028 OTCFRXLGGPCOGL-UHFFFAOYSA-N 344.168 4.148 0 1 EIAF Cc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c(C)n1 587076561 WMGIJFJHMLSNAZ-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097220 GXLQIWZQOQYEJU-ZDUSSCGKSA-N 338.264 4.112 0 1 EIAF Oc1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195898 JUXZFPMWUYLVIN-UHFFFAOYSA-N 329.403 4.475 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587236132 SVDQYEKSUDYCMU-UHFFFAOYSA-N 335.798 4.334 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ncccc3F)o1)O2 587386246 UWDSDPUPWDNEGB-KRWDZBQOSA-N 338.338 4.078 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc4cccc(F)c4o1)[C@@H](C2)C3=O 587427899 LGAHEYSAZNWVFU-RNODOKPDSA-N 338.334 4.243 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(O)cc1F)CC2=O 587467218 RLTARNREPKHHRV-INIZCTEOSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2[nH]c3ccccc3c2C1 587481745 HKQKNTWHTVOXGC-QFIPXVFZSA-N 347.414 4.329 0 1 EIAF CC[C@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587514067 FFUOWNBWMACYEF-OAQYLSRUSA-N 338.451 4.186 0 1 EIAF C[C@]1(c2c[nH]c3ccncc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525524 NSRGQUCGMXJVNH-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF COC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587812886 SIGLPSMDBMDABL-MEBBXXQBSA-N 342.252 4.123 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccnnc1 587860323 QVWMJEPFEKIITQ-UHFFFAOYSA-N 349.221 4.094 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3nc4ccc(Cl)cc4[nH]3)n1)O2 587874065 PIBMRYYQUURNDI-UHFFFAOYSA-N 326.718 4.314 0 1 EIAF CC[C@@]1(Cc2nc3cccc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 587959017 BJUKQXJEHKGFDU-NRFANRHFSA-N 348.402 4.029 0 1 EIAF CCC[C@@]1(c2ccc(C)c(C)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900688 SJFQCVRMTMQRGH-RXVVDRJESA-N 341.426 4.085 0 1 EIAF COc1ccccc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1 1772623926 GNZSCDLGYFPELZ-UHFFFAOYSA-N 338.451 4.409 0 1 EIAF CCO[C@H](C=Cc1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 2356466482 IADMDBFYOJAYAV-LEWJYISDSA-N 326.436 4.194 0 1 EIAF COc1cc(C(C)=C[C@@H](C)CC=CC=CC=CC(=O)O)oc(=O)c1C 2356793975 KVKQQUOEVVLXNW-AWEZNQCLSA-N 344.407 4.140 0 1 EIAF CCC1=NN=C(c2ccc(F)cc2)[C@@H](c2c[nH]c3ccccc23)N1O 340540 SMBIJQQMJJTRIH-LJQANCHMSA-N 336.370 4.266 0 3 EIAF CC(C)N(C(=O)C1(O)c2ccccc2C=Cc2ccccc21)C(C)C 1656892 CAKQVWVCJKDREQ-UHFFFAOYSA-N 335.447 4.052 0 1 EIAF O=C1NCCc2c(-c3cccc(C(F)(F)F)c3)[nH]c3cccc1c23 13491952 GRYSSYXARCOJGD-UHFFFAOYSA-N 330.309 4.140 0 1 EIAF CC(C)CNC(=O)CCCCCCCCc1ccc2c(c1)OCO2 39092535 GNOSQACJJSYDEN-UHFFFAOYSA-N 333.472 4.461 0 1 EIAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ncccc21 40913843 PDGWSAMBZOXARN-UHFFFAOYSA-N 336.341 4.433 0 1 EIAF CC(C)N(C(=S)SCc1cc(=O)c2ccccc2o1)C(C)C 43079782 PRWJGBHLLKPJTE-UHFFFAOYSA-N 335.494 4.430 0 1 EIAF CN1CC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C1(C)C 45495249 ZWTQESPCWJXBNK-UHFFFAOYSA-N 332.806 4.265 0 1 EIAF COC(=O)[C@H](C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 71296785 ILLCEQLCOSHXQR-DNVCBOLYSA-N 335.407 4.025 0 1 EIAF CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)CC(N)=O)cc2)cn1 96167509 NEZQKQTVKNAOLV-OAHLLOKOSA-N 342.439 4.105 0 1 EIAF O=C(C1=CCc2ccccc21)N1CCC[C@H]2c3ccccc3CC[C@@H]21 96169321 PVQFEAURNKVICH-UNMCSNQZSA-N 329.443 4.347 0 1 EIAF COc1ccc(COc2ccc([C@H](C3CC3)n3ccnc3)cc2)cc1 96938224 FONUEEWXDMQRLH-NRFANRHFSA-N 334.419 4.470 0 1 EIAF C[C@]12CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CCc1ccccc12 100620729 AOBYALZNVAGOHQ-FYYLOGMGSA-N 344.458 4.454 0 1 EIAF CC[C@]1(C(=O)NCCc2cc(Cl)cs2)[C@H](C)C1(Cl)Cl 103296632 UGXOFPYMLFHVFP-QPUJVOFHSA-N 340.703 4.280 0 1 EIAF COc1ccc(Nc2cc3c(-c4cnn(C)c4)cccc3cn2)cc1 207610520 KWKZSUFOPXVEEN-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF CN1C(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]21 299821162 XOYNUZJTUOIOLH-FEKDWZMTSA-N 331.500 4.009 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586912822 PIHDDEDXWSKJAD-XCBNKYQSSA-N 345.187 4.276 0 1 EIAF Nc1ccnc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 587048679 DGDNZMRQAHMQLZ-UHFFFAOYSA-N 348.793 4.340 0 1 EIAF CC(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587075557 DZPJWCMBHYDYGB-KRWDZBQOSA-N 339.782 4.036 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587196590 WHPUOEVKJPTBSW-VIFPVBQESA-N 335.238 4.483 0 1 EIAF Nc1c(-c2nc3cncc(Br)c3[nH]2)ccc2ccccc12 587254951 ZSSPMJQUTQJAKE-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)O2 587381994 JVIPYAJKEAPTEW-HNNXBMFYSA-N 337.297 4.182 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(C(C)C)[C@@H](C2)C3=O 587440234 BMWUXHLGIMLBOX-AVRDEDQJSA-N 336.431 4.389 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(F)cc3C1)CC2=O 587472592 RTVJHTOQPBSPSU-OAQYLSRUSA-N 340.394 4.377 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nc[nH]c3c1)CC2=O 587481809 HSOUNCFXFYGZPB-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(C)cccc31)CC2=O 587493608 UOAWQKLTJYBGFD-NRFANRHFSA-N 338.403 4.296 0 1 EIAF O=C1C[C@@H](c2nc(Cl)ccc2F)Oc2c1ccc1c2CCCC1 587507936 WGJNQVWGMXGTPS-HNNXBMFYSA-N 331.774 4.459 0 1 EIAF CC1(C)Cc2n[nH]cc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521305 BGADHAGQUQJDMS-OAQYLSRUSA-N 336.435 4.122 0 1 EIAF COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 587633124 XZDNISNFWQJAMQ-OAHLLOKOSA-N 347.733 4.003 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3cc(OC)c(F)cc3[nH]2)c1 587778484 NRAGMZIOWLOTBJ-UHFFFAOYSA-N 330.359 4.175 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)cc2)N1 587817401 BTHYXEHRWPLIAC-BTDLBPIBSA-N 348.215 4.024 0 1 EIAF NC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949203 AZZHZJHSMVLOHD-UHFFFAOYSA-N 343.386 4.045 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2n[nH]c3ccc(C)cc23)N1 962963464 ZATACGXCGWYRGY-LRTDBIEQSA-N 330.435 4.366 0 1 EIAF CCC[C@@H](C)OC(=O)C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963125076 SAXFEUKSUCNJHI-PIGZYNQJSA-N 344.282 4.476 0 1 EIAF Cn1c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc2ccccc21 1857556484 BXSRKTUDSKMLGC-UHFFFAOYSA-N 339.338 4.030 0 1 EIAF COc1cc(-c2cc(-c3cc(C)cs3)n[nH]2)cc(OC)c1OC 1857569867 OFOHRHJRFRGDKM-UHFFFAOYSA-N 330.409 4.139 0 1 EIAF CC(=O)Nc1ccc(-c2ccnc3[nH]nc(-c4ccsc4)c23)cc1 1857579143 ILTGPKXTTOFGSD-UHFFFAOYSA-N 334.404 4.312 0 1 EIAF CC(C)(O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857753614 AFHWPOPCCJXQPC-INIZCTEOSA-N 344.867 4.070 0 1 EIAF N[C@@H]1CC[C@@H](n2cc(-c3ccc4cc[nH]c4c3)c(C(F)(F)F)n2)C1 1911572930 GSSYGYIGZAPQNL-CHWSQXEVSA-N 334.345 4.103 0 1 EIAF COC(=O)C(C)=CCC[C@@]1(C)[C@@H]2CC[C@@H](C(=O)O)[C@@]23CC=C(C)[C@@H]1C3 2356588263 NJJHWXTWQAGIRM-TYFMXVJSSA-N 346.467 4.359 0 1 EIAF CC(C)(C)c1cc(NC(=O)Nc2cccc(N)c2)n(-c2ccccc2)n1 13474646 XTSFFHOZJOBYPO-UHFFFAOYSA-N 349.438 4.396 0 1 EIAF O=C(NCCc1c2n(c3ccccc13)Cc1ccccc1-2)C1CCC1 13494169 PBLQMUWYHXUZGY-UHFFFAOYSA-N 330.431 4.129 0 1 EIAF CO[C@H]1CCc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 38421821 PZBWVHASUBFKTB-OAQYLSRUSA-N 337.463 4.113 0 1 EIAF CCn1ccc2cc(Cc3cc(OC)c(OC)c(OC)c3)ccc21 45394103 LZFXKXDQZSBOMR-UHFFFAOYSA-N 325.408 4.278 0 1 EIAF CCCn1ccc2cc(-c3ccc(OC)nc3)cc(Cl)c2c1=O 66074068 IAOAJNOENSECRP-UHFFFAOYSA-N 328.799 4.136 0 1 EIAF CCCCc1ccc(-c2nc(CNCCCN3CCCC3)co2)cc1 72180439 JMNFPPKAYBJNCS-UHFFFAOYSA-N 341.499 4.260 0 1 EIAF CCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82164004 UAFIQRFOWGVEKI-UHFFFAOYSA-N 326.375 4.458 0 1 EIAF Nc1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1Cl 96169295 SIFBLFPDTSIMLQ-LPHOPBHVSA-N 340.854 4.257 0 1 EIAF O=c1[nH]cnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 103289635 GAVQAZHSHHQAMR-KRWDZBQOSA-N 326.355 4.209 0 1 EIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 103666769 GHYBXTSPARTDQY-LYHOESIGSA-N 333.391 4.456 0 1 EIAF COc1cc2nc(=S)n(CC(C)(C)C)c(O)c2cc1-c1cnco1 253638606 TUVMNAUEURMEGG-UHFFFAOYSA-N 345.424 4.181 0 1 EIAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]2CC[C@H]3C[C@@]12C=C3C 257501577 OFNWUWHDGCNABD-VNEVJAEPSA-N 346.511 4.489 0 1 EIAF endogenous,in-man O=C(O)c1cc(F)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587107381 RQYCEWSZLLLQAI-UHFFFAOYSA-N 338.260 4.010 0 1 EIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnccc3[nH]2)c(F)c1 587144240 GJRBALJXFLKRBG-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587162175 TYQLQNRHTKZZNG-HZPDHXFCSA-N 338.382 4.079 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)s1)O2 587382522 MLUVXMGYWRYCPD-LLVKDONJSA-N 327.327 4.364 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)Sc1ccccc1)O2 587409663 NKWHTWIOAJVXQB-KRWDZBQOSA-N 327.449 4.482 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Cl)c1F)[C@@H](C2)C3=O 587426117 LJNIODMMZOYAMG-KPZWWZAWSA-N 332.758 4.151 0 1 EIAF CCOc1c(C)cc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439781 DCRJFFFHGMOYRZ-QVKFZJNVSA-N 338.403 4.199 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4occ(C)c41)[C@@H](C2)C3=O 587455713 POHIINLWSPASCM-LHSJRXKWSA-N 338.403 4.212 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCN3C)CC2=O 587475378 NRDWXSIWYDXTHY-FQEVSTJZSA-N 337.419 4.044 0 1 EIAF Oc1c(Br)ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587959272 KLACGWVUZYRUCT-RYUDHWBXSA-N 343.224 4.377 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587964095 YQBGZHGFLPKYSI-DTWKUNHWSA-N 328.359 4.333 0 1 EIAF N=c1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)c[nH]1 1857655580 HCHXEGDZVKRCAU-UHFFFAOYSA-N 346.217 4.442 0 1 EIAF Cc1ccc(C)c(-c2cn(Cc3cc(-c4ccccc4)no3)nn2)c1 1857766798 GWWLGLAVJICNDO-UHFFFAOYSA-N 330.391 4.265 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1O)O2 1857767704 WGCZHZMDOQWSJZ-KRWDZBQOSA-N 340.375 4.019 0 1 EIAF Cc1ccc([C@H](NC(c2ccccc2)c2ccccc2)C(=O)O)cc1 12998211 QGWNPKWHKJDFQP-NRFANRHFSA-N 331.415 4.500 0 1 EIAF CC(=O)Oc1cc(O)cc(CCc2ccc(O)c(CC=C(C)C)c2)c1 13340785 ANUGZSBOEGDMKD-UHFFFAOYSA-N 340.419 4.317 0 1 EIAF biogenic CC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12 14961361 BMAFABSRVLXVFC-UHFFFAOYSA-N 340.333 4.453 0 1 EIAF O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 17220217 GTAUFWQVNOOSHQ-LILXYRQWSA-N 348.442 4.301 0 1 EIAF Clc1ccc2c(c1Nc1ccnc(Nc3ccccc3)n1)OCO2 29042530 BPBBEBGGGQEHFN-UHFFFAOYSA-N 340.770 4.346 0 1 EIAF CCc1nn(CCO)c(CC)c1Oc1cccc(Cl)c1Cl 34042249 BIKRHHKVIRIPEL-UHFFFAOYSA-N 329.227 4.099 0 1 EIAF O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(F)cccc12 35087225 UQCNFCDPVUBUEZ-UHFFFAOYSA-N 331.730 4.022 0 1 EIAF COc1ccc(CC(=O)N2CCS[C@@H]2c2ccc(C)c(C)c2)cc1 38149961 NVIFXZQHKMXUHA-HXUWFJFHSA-N 341.476 4.129 0 1 EIAF CO[C@H](C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1 40392334 LCQMEUVWVNWEOX-GFCCVEGCSA-N 342.420 4.081 0 1 EIAF Nc1nccc(Nc2cc(-c3cc4ccccc4o3)c3[nH]ncc3c2)n1 44460337 IQDDLNJTLVXFQA-UHFFFAOYSA-N 342.362 4.092 0 1 EIAF in-vitro CCCN(CC1CC1)c1cc(Oc2cccc3cccnc23)ncn1 82067761 XMISXKWFSGVFOV-UHFFFAOYSA-N 334.423 4.444 0 1 EIAF CC[C@@H]1CC[C@@H](C)N(c2ccc3nc(O)c([C@H](C)CC)nc3n2)C1 299879347 KOLXOSRVQZHDQO-MGPQQGTHSA-N 328.460 4.259 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 586882315 NFGSLKOBSAERJV-UHFFFAOYSA-N 340.810 4.453 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 586895174 SGRGFGPCIDODDC-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Oc1ccc(C2(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 586895838 BKDPHWUKCYBCPB-UHFFFAOYSA-N 329.197 4.111 0 1 EIAF Oc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040882 IUXSNTBWOBRNRD-UHFFFAOYSA-N 344.461 4.326 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587160898 ICHOQTVWURZMQO-CHWSQXEVSA-N 344.773 4.413 0 1 EIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(Cl)c2[nH]1 587175782 VXUZJCRUQFKQAG-CYBMUJFWSA-N 328.778 4.079 0 1 EIAF COc1ccc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587380716 BYXKXAJPGRJWEJ-AWEZNQCLSA-N 335.762 4.085 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](Oc3ccccc3)C1(C)C)O2 587404610 YHCPSSNQRSUWGG-RXVVDRJESA-N 337.419 4.159 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4sc5ccccc5c41)[C@@H](C2)C3=O 587452925 OHQSVNCMILTIQT-LHSJRXKWSA-N 348.423 4.499 0 1 EIAF O=C1C[C@@H](c2cnc3ccccc3n2)Oc2c1ccc1c2CCCC1 587527978 VNUFHCMKUMGMFO-FQEVSTJZSA-N 330.387 4.215 0 1 EIAF CCOc1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1C 587777601 BPMQEHODZGQZSR-UHFFFAOYSA-N 332.201 4.095 0 1 EIAF O=C(O)Cc1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587962782 YPERCIPMJGJJOS-UHFFFAOYSA-N 335.190 4.088 0 1 EIAF CC(C)(C)c1ccc(-c2cnc3cnc(-c4ccc(N)nc4)cn23)cc1 653670167 YAOAASVMFWJHMP-UHFFFAOYSA-N 343.434 4.338 0 1 EIAF CCn1c(C)cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1C 962625628 FJIQVQVAJSMPFG-RNODOKPDSA-N 342.483 4.108 0 1 EIAF Nc1nc2cc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)ccc2o1 962661159 JDYXREORJUPCOY-NRFANRHFSA-N 341.414 4.312 0 1 EIAF CN(C)C1([C@@H]2NCCc3c(Cl)cc(Cl)cc32)CCCCC1 963120591 KUTFPPHVVNUAJP-MRXNPFEDSA-N 327.299 4.445 0 1 EIAF COc1ccc(CN2CCCN(CC3CCCCC3)C[C@@H]2C)cc1 1772644810 XAONTPCMACQMHX-SFHVURJKSA-N 330.516 4.172 0 1 EIAF CSc1ccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)cc1 1857533905 OKNODCLJKSRICR-UHFFFAOYSA-N 347.443 4.278 0 1 EIAF COc1ccc(-c2ncccc2-c2nc3cc(OC)ccc3[nH]2)cc1 1857588579 SJEHVIAVHHPBKZ-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)c3ccc(C)cc3)[C@H]3CCC[C@@H]1[C@@H]32 211060680 JOJITHRHCAAUHX-PWIGDYEPSA-N 339.479 4.241 0 3 EIAF C[C@@H](NC(=O)c1cccs1)c1cc2c(cc1Cl)OCCCO2 2127282 LAWZDTNTPZGBCR-SNVBAGLBSA-N 337.828 4.054 0 1 EIAF Nc1c2ccccc2nc(=S)n1-c1ccc(Br)cc1 3851480 ZJWUAVXJYSZJFQ-UHFFFAOYSA-N 332.226 4.100 0 1 EIAF biogenic O=C(O)CCC[C@H](O)CCc1ccc(CCCc2ccccc2)s1 13726589 RLSZDHZPOWKHTN-KRWDZBQOSA-N 346.492 4.472 0 1 EIAF COc1cc(NC(=O)c2c[nH]c3ccccc23)ccc1-c1cnco1 13818673 SUJBVLRRRJSUJQ-UHFFFAOYSA-N 333.347 4.084 0 1 EIAF CC(C)c1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28768600 ODWZNBOTFNAHQY-HVRVZBDQSA-N 345.389 4.322 0 1 EIAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(C4CC4)nc32)cc1 28877832 LUONNBXWFNBCTL-UHFFFAOYSA-N 346.390 4.021 0 1 EIAF CSc1ccc(C2=C(c3ccncc3)C(=O)N3CCC[C@H]3C2)cc1 40940565 YXSIPMYIWVGNRN-INIZCTEOSA-N 336.460 4.109 0 1 EIAF COc1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1OC 72176876 MQIDSKWRKZYQBU-UHFFFAOYSA-N 333.391 4.345 0 1 EIAF COc1ccc2cc(CC3CCCC3)cc(CCNC(C)=O)c2c1 82150449 GUVAMYCGDCCUSF-UHFFFAOYSA-N 325.452 4.260 0 1 EIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 95593782 VGSSLDYPUXVRJF-UHFFFAOYSA-N 349.474 4.260 0 1 EIAF COc1cccc(COc2cccnc2Nc2nc(C)cs2)c1 96284843 GAXUJRATSBGESP-UHFFFAOYSA-N 327.409 4.178 0 1 EIAF N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 148891221 HNKLJSLPSPDIEF-RTWAWAEBSA-N 328.415 4.421 0 1 EIAF CCCCCc1cc2cccnc2n1S(=O)(=O)c1ccccc1 169321970 MVHLYVKKIDSCIH-UHFFFAOYSA-N 328.437 4.006 0 1 EIAF C[C@@H](Sc1ncccn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586963041 XKQWYBIGKPCEDX-SSDOTTSWSA-N 342.321 4.364 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586963570 OICMDEVXZFYMTM-SNVBAGLBSA-N 330.384 4.395 0 1 EIAF CC(C)(C)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2n1 587015837 CPQPBXXRLGMXSM-GFCCVEGCSA-N 328.441 4.230 0 1 EIAF Cc1cncc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587047895 BURDHMUKQACZFK-UHFFFAOYSA-N 328.803 4.181 0 1 EIAF Clc1ccc(-c2nc3nccc(Br)c3[nH]2)nc1Cl 587084187 IWQHCGQNVUSWKD-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF CCN1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587096768 KOAIIQDCQRVVDH-UHFFFAOYSA-N 328.415 4.133 0 1 EIAF COc1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2n1 587242277 PGGGOYHVVIAJTB-UHFFFAOYSA-N 338.411 4.008 0 1 EIAF CC(C)COc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br 587259100 QDBVLPYEDMEURH-AWEZNQCLSA-N 340.265 4.016 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1F)CC2=O 587467961 VGANPFGFODHSIE-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(C)(C)C)(C(=O)OCC)CC2=O 587480467 KBCRWJHZCKVCGO-HXUWFJFHSA-N 348.439 4.048 0 1 EIAF O=C1C[C@H](c2cccc(-c3ncon3)c2)Oc2c1ccc1c2CCCC1 587521062 ABYAIBAGOVDVGX-LJQANCHMSA-N 346.386 4.322 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587785764 ONFZKWJVXRPLBM-ZWKOTPCHSA-N 346.430 4.385 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCCCO 587860210 OEPAQLWAMGIGQU-UHFFFAOYSA-N 329.227 4.028 0 1 EIAF COc1cc(Cl)ccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873376 AFNDVBXRHMZULN-UHFFFAOYSA-N 344.729 4.145 0 1 EIAF COc1ccc(/C=C\Cc2nc3ccc(C(C)=O)cc3[nH]2)c(OC)c1 587929701 OWTXBJJBPMGCEN-PLNGDYQASA-N 336.391 4.039 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3c(Cl)ccnc3[nH]2)CC1 587970633 LXWGUZHHOBJUTJ-UHFFFAOYSA-N 325.799 4.041 0 1 EIAF Cc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(N)c1 962723561 ZQAUYRLTUUIVFM-VBKZILBWSA-N 342.483 4.169 0 1 EIAF COc1ccc(C(=O)Nc2ccc(Oc3cccc(O)c3)cc2)cc1 1857748234 MTKNJGPWZGSNCR-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF CC(=CCC[C@H](C)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)CO 2356753900 NXCRMGUYKIJISM-SQWLQELKSA-N 332.440 4.426 0 1 EIAF CN(Cc1ccco1)c1cc(-c2ccccc2C(F)(F)F)ncn1 4239290 RTHGVNYOWXHPOT-UHFFFAOYSA-N 333.313 4.392 0 1 EIAF CCOc1ccccc1-c1cc(Cl)cc2c1N1CCNCC[C@@H]1C2 13535441 MWDZHASMPATZME-MRXNPFEDSA-N 342.870 4.130 0 1 EIAF O[C@@H](CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1 13611973 PZKBHWSXUXCHCR-SFHVURJKSA-N 337.423 4.358 0 1 EIAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1CC=C(C)C 14652514 NFNFQMVDSPQKGD-UHFFFAOYSA-N 340.419 4.431 0 1 EIAF biogenic COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3[C@H](O)C[C@H]12 32257352 HWUVPJJFVCOYPE-YXYSEUPNSA-N 330.468 4.484 0 1 EIAF Clc1ccc(COc2cccc3c2cnc2ncnn23)c(Cl)c1 103212719 RYAONPGBWSOICR-UHFFFAOYSA-N 345.189 4.163 0 1 EIAF O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccc(Cl)cc1 136709137 SAKYJIJUAIYXKQ-UHFFFAOYSA-N 330.174 4.174 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3Cc4cc(OC(F)(F)F)ccc4N2O3)o1 169551289 BLDGECVQFJVCNM-OCCSQVGLSA-N 325.286 4.294 0 1 EIAF CC1(C)C(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)[C@@H]1N=O 169721646 LOAOKYZQMWJQRV-SFHVURJKSA-N 341.432 4.176 0 1 EIAF CN(C(=O)c1cc(Cl)ccc1O)c1ccc(C(F)(F)F)cc1 473093049 SSOFRQAQZZUGNQ-UHFFFAOYSA-N 329.705 4.341 0 1 EIAF Brc1cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586886191 ONQVCVMMUJNCKB-GUYCJALGSA-N 340.224 4.092 0 1 EIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(Cl)cc2[nH]1 586997329 PWBIAJQDBAJRNT-CYBMUJFWSA-N 337.604 4.061 0 1 EIAF COC(=O)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cn1 587053892 JFJWWXHUEIWUPU-WAYWQWQTSA-N 348.189 4.222 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2c(Cl)nc(Cl)cc2[nH]1 587060202 FPMQXHZNMWOYAA-UHFFFAOYSA-N 341.585 4.170 0 1 EIAF FC(F)(F)c1ncc2nc(-c3c(Cl)[nH]c4ccccc34)nc-2[nH]1 587088293 WIWPFQSFFGOMSW-UHFFFAOYSA-N 337.692 4.125 0 1 EIAF CCOc1cc(/C=C\c2nc3cncc(C)c3[nH]2)ccc1OC(F)F 587129018 AOIMMMJNQYTGCX-ALCCZGGFSA-N 345.349 4.437 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587196066 PYKJNVVIMSMNAM-JTQLQIEISA-N 345.349 4.102 0 1 EIAF COc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2n1 587242530 OYBNZLGGKMCWPG-UHFFFAOYSA-N 332.363 4.083 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C)cc(C)c3nc1O)O2 587393866 AYSMCDXVWFSDBR-GOSISDBHSA-N 348.402 4.154 0 1 EIAF CCOc1c(C)cc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398625 FSLLMIMYTLDQIF-GOSISDBHSA-N 325.408 4.299 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N(C)C)c1)CC2=O 587469279 MSWHZFLPFFJROV-NRFANRHFSA-N 339.435 4.291 0 1 EIAF CC(=O)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508042 XVNMDTLMZPAPNE-OAQYLSRUSA-N 338.378 4.154 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2Cl)N1 587701803 XUDOCTGKAWYNIG-FUXBKTLASA-N 343.627 4.193 0 1 EIAF COCC[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797589 WGMAUPJSANJTIT-ZBEGNZNMSA-N 344.268 4.010 0 1 EIAF CCCC[C@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815129 YRAFGOCTSLQKKB-MGPLVRAMSA-N 342.252 4.097 0 1 EIAF CCCn1ncc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1C 963098720 JAWHXGHAISFKBP-XLIONFOSSA-N 327.447 4.025 0 1 EIAF COc1ccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)c1 1857744539 ATCSTBKTLBKJCJ-UHFFFAOYSA-N 346.390 4.386 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@H](O)[C@@H]2C1 2356597606 NXNOPTGUMNFXAY-NGKDOIFZSA-N 332.440 4.108 0 1 EIAF COC(=O)CCCCCCCCCC[C@]1(OC)OC(=O)C(C)=C1C 13462763 ZRVVSWLHFQJMER-IBGZPJMESA-N 340.460 4.296 0 1 EIAF biogenic CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 13611470 BSOLCASXROXPRZ-MUKKUYKPSA-N 329.440 4.466 0 1 EIAF CCCC(=O)NCC[C@@H]1CCc2c(OC)ccc3ccc(OC)c1c23 13834446 GBQSWEMPGGYIKG-HNNXBMFYSA-N 341.451 4.193 0 1 EIAF CC(=O)N1CCC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26952382 WPMYIIBVFOXKEL-PBBQUWACSA-N 347.543 4.381 0 1 EIAF Cc1cc(CCCCCOc2ccc(C3=NCCO3)c(Cl)c2)on1 27304410 GSFJDINVJBIXFN-UHFFFAOYSA-N 348.830 4.205 0 1 EIAF CC(C)[C@@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 28525215 KKTODIFGCZVQAE-LBPRGKRZSA-N 345.493 4.296 0 1 EIAF CC[C@H](C)N1CCC(COc2nc3ccsc3n3cccc23)CC1 40891607 CGQIHTJBNZVMIH-AWEZNQCLSA-N 343.496 4.438 0 1 EIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1coc2ccccc2c1=O 72112381 ICZSVZVJXCLBRZ-UHFFFAOYSA-N 333.265 4.064 0 1 EIAF O=C(OCN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 72178805 NOLKFMFGKDMAAQ-UHFFFAOYSA-N 331.371 4.148 0 1 EIAF CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CCCC=C12 253703353 OVURERDJMLXMHG-HLFHVMKESA-N 330.468 4.450 0 1 EIAF c1ccc(C2SCCS2)c(OCc2nc3cccnc3[nH]2)c1 587044199 RQHMQTPZFLWYEN-UHFFFAOYSA-N 329.450 4.016 0 1 EIAF CC(=O)NC1(c2nc3ccc(C(C)(C)C)cc3[nH]2)CCC(C)CC1 587234362 KIGWJTUNHAHQPN-UHFFFAOYSA-N 327.472 4.402 0 1 EIAF CCc1ccccc1NC(=O)c1nc2ncc(Cl)c(Cl)c2[nH]1 587241303 SRQKMQAPOLJOLX-UHFFFAOYSA-N 335.194 4.079 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(C)C)cc1)[C@@H](C2)C3=O 587439771 CXADPQROUGQWLT-LAUBAEHRSA-N 338.403 4.219 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587448149 ZKLYRZGJGILSOX-AVRDEDQJSA-N 334.415 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(CCC)c1C)CC2=O 587477058 TVIRDBYGWRQCQU-HXUWFJFHSA-N 342.439 4.140 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3nsnc3c1)CC2=O 587493380 FLNFQOKQWSJPMW-KRWDZBQOSA-N 340.404 4.056 0 1 EIAF Cn1ncc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587517998 YNVOIJFBFWEBKG-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)co1 587550396 ADYVCPUTRJJPRK-QAPCUYQASA-N 342.734 4.342 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1F 587571087 ZEGIHNYYPFFVHW-XLIONFOSSA-N 336.318 4.234 0 1 EIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)cnc2[nH]1 587782975 UTCJRGDJTLXWPE-UHFFFAOYSA-N 335.338 4.049 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCSC2)N1 587858290 PVDKMCCRZZBTBH-FCHSOHFDSA-N 344.293 4.307 0 1 EIAF COc1ccc(/C=C/Cc2nc3cc(C)c(F)cc3[nH]2)c(OC)c1 587928591 FFAPCPDYJJNJRB-SNAWJCMRSA-N 326.371 4.284 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)cnc3[nH]2)cc1 587937930 RGOKGPGRZAQJEN-GOSISDBHSA-N 333.366 4.286 0 1 EIAF CC(C)CC[C@H](C)N[C@H]1C=C(c2ccc3ncsc3c2)N=CN1C 653686241 KSWVWHLHTUQESH-IFXJQAMLSA-N 342.512 4.351 0 1 EIAF Oc1ccc2c(c1)C1=NN[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)O2 653865386 ZHOSBMNCIFOAEH-VWPQPMDRSA-N 342.398 4.191 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCOCC[C@@H]1C(F)(F)F 963104061 GYDMAMNBROSGHU-BHYGNILZSA-N 343.364 4.030 0 1 EIAF O=S1(=O)c2ccccc2CN1c1ccc(Oc2ccccc2)cc1 1772617906 PXWXFDMNAQDJHK-UHFFFAOYSA-N 337.400 4.188 0 1 EIAF O=C1COc2ccc(-c3ccc(O)cc3)cc2N1c1ccc(F)cc1 1857592528 XVULYBPMMOTGJX-UHFFFAOYSA-N 335.334 4.255 0 1 EIAF CCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccc3)cn12 28233744 ATAQGXABHTXTDL-UHFFFAOYSA-N 330.387 4.290 0 1 EIAF O=C(Nc1cccc(C(=O)c2nc3ccccc3o2)c1)NC1CCCC1 28710809 ALOLOCMXMWUEFB-UHFFFAOYSA-N 349.390 4.123 0 1 EIAF CN1CCC(CNC(=O)c2ccccc2-c2cccc(Cl)c2)CC1 49036269 PICKXKILPZYWHV-UHFFFAOYSA-N 342.870 4.079 0 1 EIAF Cc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12 66074451 RNSNOEBDSVXMIU-UHFFFAOYSA-N 342.362 4.213 0 1 EIAF c1ccc(-c2cccc(-c3cc(NC[C@@H]4CCCO4)ncn3)c2)cc1 82167829 OWBTUSLNJDUZBE-IBGZPJMESA-N 331.419 4.402 0 1 EIAF C[C@]1(c2cc(Cl)cc(CC(=O)c3ccco3)c2)CCSC(N)=N1 96174341 ZTSNGZILTQFURF-QGZVFWFLSA-N 348.855 4.025 0 1 EIAF Cc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC1CCCCC1 115791794 SPCGWSLJNUVKFH-MHWRWJLKSA-N 331.437 4.278 0 1 EIAF CO[C@H]1O[C@H]2OC(=O)[C@H](C)C3=C([C@@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32 137177632 WUMDTWIDBHUJRI-KIEVKPGRSA-N 348.483 4.437 0 1 EIAF COc1ccc(-n2c(C)nc3c(-c4ccccc4)csc3c2=O)cc1 221202162 QWJZAXKOFFQJEB-UHFFFAOYSA-N 348.427 4.431 0 1 EIAF CC1=CC(=O)O[C@H]1C[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]21 238762556 AEPFBSNEBUKEMX-TZPXMIBGSA-N 332.440 4.112 0 1 EIAF CCNC[C@H]1C[C@H]2CC[C@H]1N(c1ccnc3cc(Cl)ccc13)C2 253665774 MESUMNNLNBOPTM-HBUWYVDXSA-N 329.875 4.103 0 1 EIAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3C=C12 503984570 OCWMOVOEHOFLTA-PGRYMQIGSA-N 345.527 4.423 0 1 EIAF biogenic Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)nccc3[nH]2)cc1 586879321 HFGJEPZZFBSWQQ-UHFFFAOYSA-N 345.358 4.004 0 1 EIAF Fc1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1-n1cccn1 586886659 GLSXTFZXTFKFJU-BTYIYWSLSA-N 344.393 4.259 0 1 EIAF Cc1nc(Br)sc1-c1nc2ccc3ncccc3c2[nH]1 587010521 CAXKXBZVJZQPCY-UHFFFAOYSA-N 345.225 4.306 0 1 EIAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cnnc(O)c2[nH]1 587074162 RQOGKINQNZENAT-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF N[C@@H]1CC[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C1 587247339 PPGUMTMILPYMKV-WCQYABFASA-N 334.448 4.434 0 1 EIAF COc1cc(OC)c2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2c1 587250961 UUTQZOBPHFZRLU-UHFFFAOYSA-N 345.402 4.496 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(F)c(Cl)c1F)O2 587382364 QENAQGUJUZOLGX-GFCCVEGCSA-N 341.716 4.354 0 1 EIAF COc1ccc(-c2[nH]c3cccc(F)c3c2CC(=O)O)c(Cl)c1 587632712 IXOBGWKFDMIFIV-UHFFFAOYSA-N 333.746 4.263 0 1 EIAF CC(=O)[C@H](C)[C@]1(c2ccccc2)c2ccc(F)cc2C[C@H]2CCCN21 963102642 RTNPSEXOEHUUOJ-GNSUPJDDSA-N 337.438 4.315 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CC(=O)C(F)(F)Cl 963242831 QIFQLBWUZQUZEY-WBMJQRKESA-N 329.818 4.349 0 1 EIAF O=C(O)C[C@@H](C=CCCCCCCCC[C@H]1C=C(CO)CC1)CO 2356366490 KFPSXIUIQQIXCJ-QZTJIDSGSA-N 338.488 4.075 0 1 EIAF CC=C(C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@H](C)CC=C2 2356457459 QCIYZQPUFWEBMV-GFCCVEGCSA-N 344.407 4.133 0 1 EIAF C[C@H]1[C@@H](N(C)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713491 SCAQGDQOHKWZCT-IWLVTHKOSA-N 340.511 4.078 0 3 EIAF O[C@@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21 13491121 ADCPRYKGPAHETD-NRFANRHFSA-N 348.833 4.153 0 1 EIAF COc1ccc([C@H](OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 13737813 AFWLTZMAQCSANY-SQUIKTEWSA-N 337.463 4.426 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCC1=CCOC1=O 14446649 WUUOACSBQPHDQM-UNGRWJMUSA-N 332.440 4.113 0 1 EIAF biogenic Cc1cc(C)c2ccc(Cl)cc2c1CC[C@H]1C[C@@H](O)CC(=O)O1 27869469 FUQMTWMTRYCUOK-CABCVRRESA-N 332.827 4.109 0 1 EIAF O=C1Cc2c(oc3ccc(Br)cc23)-c2ccccc2N1 29053317 JIOLMXHWCLOSJU-UHFFFAOYSA-N 328.165 4.357 0 1 EIAF CC(C)=CCc1c(O)ccc(-c2cc3ccc(O)cc3oc2=O)c1O 38784482 HUJUXFMQVHJSOY-UHFFFAOYSA-N 338.359 4.086 0 1 EIAF biogenic CC(C)c1csc(-c2nnc3sc(-c4ccccc4)nn23)n1 49112303 PMNTXYALZGFGBE-UHFFFAOYSA-N 327.438 4.100 0 1 EIAF CN(C)CCCc1c[nH]c2ccc(CC(=N)c3cccs3)cc12 96177576 QMCARXWJCXVONK-UHFFFAOYSA-N 325.481 4.334 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@@H]1N2C 169346038 LFJPCUHETVUFNZ-MJQMVNBJSA-N 341.476 4.154 0 1 EIAF Cc1nn(Cc2cccc3ccccc23)c2cc(CC(=O)O)ccc12 205665997 MKVPAQJWGDFDNS-UHFFFAOYSA-N 330.387 4.173 0 1 EIAF COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@@H]1CC[C@H]2C(C)C 263639046 YRWFATJGYPJDRM-LLGWXDCBSA-N 334.500 4.345 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 587011037 ACJGDSMIAFVLPK-UHFFFAOYSA-N 329.322 4.385 0 1 EIAF Fc1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1-n1cccn1 587044016 XBQGJRXPIQUZHX-KRWDZBQOSA-N 336.395 4.277 0 1 EIAF Cc1c(-c2cncn2C)nc2cccc3c2c1-c1ccccc1C3=O 587105266 VVAPYGFETFAISS-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF O=C(c1cc(Cl)nnc1Cl)c1coc2ccc(Cl)cc12 587278398 LPFFUCNDFZYYLJ-UHFFFAOYSA-N 327.554 4.414 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)cc1O)CC2=O 587482524 UFJGECGPYHGYAI-LJQANCHMSA-N 342.391 4.156 0 1 EIAF CCC[C@]1(C2CCNCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521583 CNZDWFRVZXINNL-OAQYLSRUSA-N 327.468 4.069 0 1 EIAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587766815 HLCRJJQCCVPFPN-BMLIUANNSA-N 349.247 4.224 0 1 EIAF COc1ccc(OC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946465 UWCLLSULMDYMDE-MRXNPFEDSA-N 329.371 4.460 0 1 EIAF COc1cccc2c3c(cnc12)CCNC31C2CC3CC(C2)CC1C3 963062498 DQRWRLRGXABVDE-UHFFFAOYSA-N 334.463 4.041 0 1 EIAF CCCn1ncc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1C 963098713 JAWHXGHAISFKBP-FXAWDEMLSA-N 327.447 4.025 0 1 EIAF Cc1cccc(CNc2ccc(-c3nc4ncccc4o3)cc2F)n1 1772585198 IYFWGTMQURZHBS-UHFFFAOYSA-N 334.354 4.344 0 1 EIAF Cc1ccc(-[n+]2cc(-c3ccccc3)n(Cc3ccccc3)n2)cc1 1857538303 XTHRXBIKWJYDKK-UHFFFAOYSA-N 326.423 4.184 0 1 EIAF OCc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)nc3cn2)c1 1857548850 LJYROHYETAFOSM-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF CCCCCC[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 1857765587 PDNWENBZEKZTOH-INIZCTEOSA-N 342.270 4.443 0 1 EIAF CCNC(=O)[C@@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 61904837 KGDPRJFLSDOTOR-QFIPXVFZSA-N 336.479 4.092 0 3 EIAF O=C1CCC[C@H]2C[C@H](NCc3cccc(Cl)c3)CC[C@]23CCCN13 205705680 INQIERNWNFWGIH-ILZDJORESA-N 346.902 4.143 0 3 EIAF C[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nnn[nH]1 13672531 JOZCMMCCPQJFBU-SECBINFHSA-N 336.292 4.176 0 1 EIAF Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1 13743204 ACYITABPULQXIP-UHFFFAOYSA-N 330.366 4.443 0 1 EIAF CCCc1cc(O)cc(OC(=O)c2c(O)cc(OC)cc2CCC)c1 15115367 GRRCMANLWQNHJK-UHFFFAOYSA-N 344.407 4.231 0 1 EIAF biogenic Cn1c([C@@H]2COc3ccccc3O2)nc2cc(-c3ccncc3)ccc21 49070852 YUZJRALYLDHKLP-FQEVSTJZSA-N 343.386 4.148 0 1 EIAF Cn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21 64451017 NSQYNEMRLNGHTF-UHFFFAOYSA-N 344.374 4.013 0 1 EIAF COc1ccccc1Oc1cc(NCc2cc(F)ccc2F)ncn1 82067505 FUVHYXKFRRXDBP-UHFFFAOYSA-N 343.333 4.168 0 1 EIAF CCCCc1ncc(CCCC(=O)O)n1Cc1ccccc1Cl 96178627 ALYFRKAKUGBZHH-UHFFFAOYSA-N 334.847 4.335 0 1 EIAF CC1CCN(C(=O)c2csc(Nc3ccccc3Cl)n2)CC1 96283054 SZHIEAIGXTYYJS-UHFFFAOYSA-N 335.860 4.412 0 1 EIAF Cn1s/c(=N/c2ccc(Cl)cc2)nc1C(Cl)(Cl)Cl 103181268 BKDMYFKGFTVBMP-OQLLNIDSSA-N 343.066 4.194 0 1 EIAF CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)s1 103521276 PFSKASNHPGYUNF-QGZVFWFLSA-N 331.437 4.292 0 1 EIAF C[C@@H](c1ccc2ccccc2c1)N1CCC2(CCC(O)CC2)OC1=O 146301141 PWBBXNGZOQJRAB-ULUNDTCASA-N 339.435 4.417 0 1 EIAF N[C@H]1CC[C@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CC1 261103308 GYBGYCCEXGKGND-CZIWCDLHSA-N 342.870 4.254 0 1 EIAF CCCCC[C@@H](C[C@H](O)CCc1ccc(O)c(OC)c1)SC 299853896 RQILNTUMDLZRIQ-CVEARBPZSA-N 326.502 4.396 0 1 EIAF Fc1c(F)c(F)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1F 587016087 GFFFGTFWUQIXPW-ZCFIWIBFSA-N 343.305 4.094 0 1 EIAF CCc1cc(OCc2nc3ccc(C(=O)OC)cc3[nH]2)ccc1Cl 587052876 QZIAPNYQSYIQMI-UHFFFAOYSA-N 344.798 4.144 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](COCc1ccccc1)(C(C)C)O2 587398560 FMNMIQRABNGRFX-NRFANRHFSA-N 339.435 4.154 0 1 EIAF CSc1ccc2c(c1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587410790 PKHADTHAOJJYEV-FQEVSTJZSA-N 339.460 4.496 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O 587429084 SCYARGASICSNGV-UGSOOPFHSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2OC[C@H]1C 587486468 LCOBQGAMIZACGA-LRTDBIEQSA-N 338.403 4.234 0 1 EIAF C=C1C=C(C)n2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2N1 587522392 FDGNVTPVEQNJNR-LJQANCHMSA-N 347.418 4.268 0 1 EIAF CS[C@H](C)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587838287 BIVBZTSXQHEJRG-NUPCCRGMSA-N 332.282 4.305 0 1 EIAF COc1c(C)cc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946444 TVXWAEMCGQEPEF-MRXNPFEDSA-N 329.371 4.465 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 587952422 QMMKXUXUHFPHLH-WLYUNCDWSA-N 345.487 4.333 0 1 EIAF CC1=C(Cl)[C@H](c2ccc(F)cc2Cl)NC(c2ccccn2)=N1 1772633147 FNCIGPDXTUHJJV-HNNXBMFYSA-N 336.197 4.436 0 1 EIAF Cc1ccc(OC2CCN(c3ccnc4ccc(F)cc34)CC2)cn1 1772635572 GKAPJXSNQVCLGF-UHFFFAOYSA-N 337.398 4.125 0 1 EIAF CC1=C2[C@H](/C=C(\C)C(=O)NCCc3ccccn3)CC[C@@H](C)[C@H]2CC1 1772640887 GGLYYGLRTMUIDR-YMIIJLGTSA-N 338.495 4.459 0 1 EIAF C[C@@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccccc1 1857635545 YJXOISPYJORRTP-HUUCEWRRSA-N 335.451 4.193 0 1 EIAF COC(=O)[C@@H]1CCC[C@]23[C@H](C)O[C@@H]4c5occc5[C@H](C)[C@H](CC[C@H]12)[C@H]43 2356770672 DSLVSUCNEVMWIG-PUXIUGPHSA-N 344.451 4.458 0 1 EIAF CC1=Nc2ccccc2/C1=C1\CSC(Nc2ccc(F)cc2)=NN1 103917776 WHKSWAYBDFXPAB-WUKNDPDISA-N 338.411 4.362 0 3 EIAF CN1CCC[C@H]1CCSc1ncccc1-c1nc2ccccc2[nH]1 203475517 QCHWRHJJAQZHRS-AWEZNQCLSA-N 338.480 4.201 0 3 EIAF O=c1c(-c2ccccc2)c(O)cc(-c2ccncc2)n1-c1ccccc1 5428545 KLYREBIUPHKBKJ-UHFFFAOYSA-N 340.382 4.272 0 1 EIAF O=C1Nc2ccc(C(=O)c3cccs3)cc2/C1=C/c1ccccc1 13538896 JLQAHOQUHARADH-WJDWOHSUSA-N 331.396 4.472 0 1 EIAF C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(O)C(F)(F)F 29554412 QDKAVLCMWMWTJI-MHORFTMASA-N 338.369 4.262 0 1 EIAF CCc1ccc(-c2cc(NCCc3ccccc3OC)ncn2)cc1 82161308 WTSVLMUQFLPVEP-UHFFFAOYSA-N 333.435 4.369 0 1 EIAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 82181512 XDNZNSKHSSTMRQ-LBPRGKRZSA-N 341.484 4.423 0 1 EIAF O=c1ccoc2cccc(OCc3ccc(Br)cc3)c12 84709405 DCTUFQYGQXNTDR-UHFFFAOYSA-N 331.165 4.135 0 1 EIAF CCN(CC)Cc1cnc(CNc2ccnc3cc(Cl)ccc23)[nH]1 95561251 UEULFPOAFDPPLX-UHFFFAOYSA-N 343.862 4.065 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1C(=O)N[C@H]1CCCC[C@H]1C 114426728 TXKPZTXKDZJITP-SKDRFNHKSA-N 346.254 4.319 0 1 EIAF O=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1 115094025 XTKQMUCOLYVCST-UHFFFAOYSA-N 342.870 4.296 0 1 EIAF COc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1 169343826 XRIDEZVVCZKPPS-UHFFFAOYSA-N 339.420 4.083 0 1 EIAF c1ccc(OC[C@H]2[C@H]3CN(Cc4nc5ccccc5s4)C[C@@H]23)cc1 261180966 WBVLWNTYBPPISB-BJWYYQGGSA-N 336.460 4.053 0 1 EIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccoc3C3CC3)nc1-2 586901366 KIYJTQPSHRFZLA-UHFFFAOYSA-N 328.681 4.114 0 1 EIAF CCOC(=O)Cc1cccc(Cc2cnc3cccc4c3c2CC4)c1 587211299 DBEZSRCDHVYHBS-UHFFFAOYSA-N 331.415 4.030 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(C)C)c1)[C@@H](C2)C3=O 587441892 UONHWKIQZJLSBI-UWJYYQICSA-N 338.403 4.145 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4sc5ccccc5c41)[C@@H](C2)C3=O 587452932 OHQSVNCMILTIQT-QKKBWIMNSA-N 348.423 4.499 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(Cl)c1)CC2=O 587460360 FNCHIJJIMYYWGT-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603466 OTTWDRKSAZUFNP-WIYYLYMNSA-N 332.355 4.404 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 587932346 OBGIKHASDJUTPT-UHFFFAOYSA-N 343.386 4.004 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)cnc2[nH]1 587935727 USDJMUHWZJKDBO-UHFFFAOYSA-N 325.799 4.192 0 1 EIAF CC(C)CCOc1ccccc1[C@H]1NCCc2c(C(=O)O)cccc21 963130618 LEEVYSIZTNKZCD-FQEVSTJZSA-N 339.435 4.045 0 1 EIAF O=C(Nc1cc(Nc2ccc(Cl)cc2)ncn1)c1ccc(F)cc1 1857765218 IBORCYYLTJHDOD-UHFFFAOYSA-N 342.761 4.265 0 1 EIAF O=C(O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1 1856548 QFASKOSTLPPVIV-UHFFFAOYSA-N 334.162 4.378 0 1 EIAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 13488795 YLOWXWHAWCOZBC-IBGZPJMESA-N 342.870 4.466 0 1 EIAF CN(C)CCSc1nc(-c2ccco2)cc(-c2cccs2)n1 13649260 KPETYGZZCQYUHT-UHFFFAOYSA-N 331.466 4.119 0 1 EIAF C[C@@]12Cc3c[nH]nc3C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O 17302145 OIIHTRLQCQVVQC-SCXSLKHRSA-N 326.484 4.343 0 1 EIAF CCOP(=O)(Cc1ccc(C(=O)Nc2ccccn2)cc1)OCC 26388530 BYRQCAUYKQIUKN-UHFFFAOYSA-N 348.339 4.100 0 1 EIAF CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1 28223470 FUSKIBWHJAWEFI-UHFFFAOYSA-N 349.431 4.188 0 1 EIAF CCNC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 28900209 BAXIFQMQEGUGGQ-UHFFFAOYSA-N 331.419 4.177 0 1 EIAF in-vivo O[C@]1(c2ccccc2)C2=NCC3(CCCCC3)CN2c2ccccc21 34249464 AZOFEEBDCBWTBM-QFIPXVFZSA-N 332.447 4.105 0 1 EIAF CC[C@@H](COc1cccc(Cl)c1)OC(=O)NCc1ccccc1 34620625 VXYOTZUIGVHQPQ-INIZCTEOSA-N 333.815 4.424 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 36271120 YWDPQXQHYYMNDR-PSWRPDDJSA-N 349.474 4.475 0 1 EIAF Cc1cccc(SCc2c(Cl)c(=O)oc3cc(O)ccc23)n1 45337403 LGVQVMQXMHWBKN-UHFFFAOYSA-N 333.796 4.148 0 1 EIAF C1=C/COCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)COC/1 84704462 RADMAAOUVWABJD-OWOJBTEDSA-N 349.390 4.083 0 1 EIAF CC(=O)Nc1nc2ccc(-c3cccc(-c4ccccc4)c3)cn2n1 84726300 QHOHULMEBURLQL-UHFFFAOYSA-N 328.375 4.022 0 1 EIAF Cc1cccc(NC(=O)c2nn(C)c(-c3cccc(Cl)c3)c2C)n1 95604939 VXQCREDNVDGOFN-UHFFFAOYSA-N 340.814 4.005 0 1 EIAF Clc1ccc(N2CCN(Cc3cccs3)CC2)cc1Cl 96283201 JKFIWLJVMRKLFE-UHFFFAOYSA-N 327.280 4.377 0 1 EIAF Fc1cccc(F)c1C1=N[C@@H](c2ccc(OC(F)(F)F)cc2)CO1 98082147 RUWJQZCCJDFTJT-CYBMUJFWSA-N 343.251 4.382 0 1 EIAF CC(C)[C@@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl 103272414 NGVISUPEKJPCPN-GFCCVEGCSA-N 340.703 4.280 0 1 EIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2cccc(Cl)c2)cc1 299833491 OWFVGFOBIKSUON-UHFFFAOYSA-O 347.825 4.169 0 1 EIAF OCc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980656 ZZGCCTZQJGSEQE-UHFFFAOYSA-N 337.604 4.138 0 1 EIAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CC 587399853 MQEDROLJHUFFLG-IBGZPJMESA-N 325.408 4.245 0 1 EIAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cc(F)ccc12 587633692 IXMLVJKJIJISFX-UHFFFAOYSA-N 333.265 4.204 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)C(=O)OC)c2c1 587644562 ZVLUHCGGOQAOGG-LBPRGKRZSA-N 336.391 4.099 0 1 EIAF CCOc1cc(-c2nc3cncc(Br)c3[nH]2)ccc1C 587778523 OSVDWXWKCXKETQ-UHFFFAOYSA-N 332.201 4.095 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1C 587862422 ADORVMDIODOWDU-UHFFFAOYSA-N 333.313 4.270 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cncc(Br)c3[nH]2)c1 587930993 LNHZZCYCCSZOKK-SNVBAGLBSA-N 346.228 4.075 0 1 EIAF CC[C@@]1(c2cccc(Cl)c2F)NCCc2c1c(C(C)C)nn2C 962911036 OAYNADXFHXCTNP-SFHVURJKSA-N 335.854 4.135 0 1 EIAF Nc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772580760 BNDUHNRAHUXRNG-UHFFFAOYSA-N 330.313 4.488 0 1 EIAF c1cc(NC2CCCC2)c2cnc(Nc3ccc4c(c3)OCO4)nc2c1 1772598551 NCYPMQRKHVVLHT-UHFFFAOYSA-N 348.406 4.457 0 1 EIAF C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C[C@@H]3CN3)CC[C@@H]12 1857538804 MFWABCGQFDBVQU-ZPGOKSTBSA-N 327.512 4.496 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H](O)O[C@@H]3O2 2356490381 GJHSJLKEFAMHFY-CGBFIWBNSA-N 332.440 4.037 0 1 EIAF CCCCC[C@H](O)C=CC=CC[C@@H](O)C=CC=CCCCC(=O)O 2356689010 VBQUXWAGWFCNLJ-OALUTQOASA-N 336.472 4.158 0 1 EIAF CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 2482370 ZVBPGLHJTOMCTQ-UHFFFAOYSA-N 328.343 4.271 0 1 EIAF CC(C)=CCN1CCn2c(=O)[nH]c3cc(Cl)cc(c32)[C@H]1CC(C)C 5962806 CYWGDPFEADYKBO-QGZVFWFLSA-N 347.890 4.352 0 1 EIAF CC1=CCC[C@H]2[C@@]1(C(=O)O)[C@@H](O)C[C@@H](C)[C@]2(C)CCc1ccoc1 6031387 QVNWBXBUWGPGRM-WGLCMCTQSA-N 332.440 4.047 0 1 EIAF O=S1(=O)c2ccccc2N(Cc2ccc(F)cc2)c2ccccc21 6915244 KRHZKSGETPAMBL-UHFFFAOYSA-N 339.391 4.310 0 1 EIAF aggregator O=c1c(-c2ccccc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436582 CMEOQHOBYZAUEU-QFIPXVFZSA-N 344.458 4.201 0 1 EIAF Cc1ccc2c(c1)[C@H](N1CCNC(C)(C)C1)C[C@H]2c1ccc(F)cc1 22938051 YGBDHZJMOPGGDK-PZJWPPBQSA-N 338.470 4.395 0 1 EIAF CCOC(=O)c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 26838475 ODWOKCOGJOMDNY-UHFFFAOYSA-N 335.190 4.485 0 1 EIAF CCCCNC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 28217993 OBEHYNMYCUIOPW-GOSISDBHSA-N 337.467 4.186 0 1 EIAF COc1ccc2ccc(=O)oc2c1C(COC(=O)C=C(C)C)=C(C)C 35458562 OJCJQHKLWLEHAL-UHFFFAOYSA-N 342.391 4.104 0 1 EIAF biogenic O=C1O[C@@H](COc2ccccc2C(F)(F)F)CN1c1ccccc1 49783811 SAASZOVUMKTLAZ-CYBMUJFWSA-N 337.297 4.110 0 1 EIAF CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC 73166957 BNILZSJXXDACBM-UHFFFAOYSA-N 341.194 4.048 0 1 EIAF CCc1ccc(CN2CCC3(CC2)OCCc2sccc23)s1 84740970 USMFHPOYQFHGLC-UHFFFAOYSA-N 333.522 4.436 0 1 EIAF C[C@@H]1CCC2=C(CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O 138408918 CNPSEJMTSGFDJT-RXDRHKEWSA-N 330.424 4.161 0 1 EIAF CC(C)c1ccc2cccnc2c1NS(=O)(=O)c1ccccc1 205632571 IWQYZDQZAUZCSI-UHFFFAOYSA-N 326.421 4.159 0 1 EIAF CC1=C[C@@H](Nc2ccccc2)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O 299820446 BLEFHFKQPDHEAA-ZUXGAPRESA-N 341.451 4.162 0 1 EIAF Nc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1 473144192 AALHZGMCQSLBNY-UHFFFAOYSA-N 331.343 4.212 0 1 EIAF COc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Cl 586882128 KMYYBXHQBOOXTE-SREVYHEPSA-N 328.755 4.094 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3ccc(Cl)nc3[nH]2)ccn1 587092553 WAGHRASAJSTTQV-UHFFFAOYSA-N 344.749 4.328 0 1 EIAF O=C1c2ccccc2-c2cc(C[C@@H]3CCCCN3)nc3cccc1c23 587105592 AJPQXUQGWCQSTH-AWEZNQCLSA-N 328.415 4.131 0 1 EIAF Oc1nccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129365 XBTFJCTULGGPPR-UHFFFAOYSA-N 344.346 4.392 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(F)cn1)O2 587386651 KZDNRWLFCPGHBT-NRFANRHFSA-N 348.377 4.020 0 1 EIAF CCC[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587404392 XMEXCCHPNPFLBZ-FQEVSTJZSA-N 325.408 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4C[C@H]1C)[C@@H](C2)C3=O 587419480 FJBJNCKULWHURY-YZSZRTLCSA-N 340.806 4.184 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc4ccc(C)cc4o1)[C@@H](C2)C3=O 587456462 VOKJJIKZGVZLLF-YCRPNKLZSA-N 334.371 4.413 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(C(F)F)c1)CC2=O 587465570 IJEMXNUKSGIMNP-INIZCTEOSA-N 333.334 4.384 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1cccn1)CC2=O 587474238 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1 EIAF CCCC(=O)OC/C=C/c1ccc(OC(=O)CC(C)C)c(OC)c1 473101580 JYMDRHXHPVGZKP-SOFGYWHQSA-N 334.412 4.003 0 1 EIAF C=Cc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 586880415 GCTIEFSYNNUFFQ-UHFFFAOYSA-N 346.171 4.478 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1 586881619 XWIYDNPGEUIEBK-VMPITWQZSA-N 348.280 4.330 0 1 EIAF Brc1cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586882782 BWVCGOUITBLSCB-LGXCGXJNSA-N 332.245 4.188 0 1 EIAF Cc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1C 587075556 DYWBSPZQUVFQLG-MRXNPFEDSA-N 325.799 4.450 0 1 EIAF CC[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206464 DKQGFZMJWQDAKC-GFCCVEGCSA-N 327.383 4.455 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cn1 587246542 BWOZFJKRSULEEH-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF Nc1ccc2oc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2c1 587252296 VURGTKHCMQPJOW-UHFFFAOYSA-N 333.269 4.457 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](O)C3)c1 587367280 VCGZUDJPKCUARK-ZDUSSCGKSA-N 331.371 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)nc(C)c1)CC2=O 587489929 WZFLKSZBQVMWFD-HXUWFJFHSA-N 325.408 4.237 0 1 EIAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516392 SAXPADJQMRXXKT-LJQANCHMSA-N 332.403 4.159 0 1 EIAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529861 QQCSEJGNERMXEU-ZPMCFJSWSA-N 338.447 4.295 0 1 EIAF Oc1nc(O)c2ccc(-c3cc4c(ccc5ccccc54)o3)nc2n1 587560281 DXMHSFRXNLFFIM-UHFFFAOYSA-N 329.315 4.002 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2F)N1 587738475 ORMHDKBHKQEHML-NKZPBKNFSA-N 330.216 4.230 0 1 EIAF O=C(CCCc1ccccc1)O[C@H](Cn1ccnc1)c1ccccc1 1772614486 DNQUQOXPMDDJIS-HXUWFJFHSA-N 334.419 4.191 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(C=C(O)C(=CC(=O)O)CC3)CC[C@H]12 2356511225 CISIZTZWNFTWTO-DBVUQKKJSA-N 346.423 4.221 0 1 EIAF CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 3814242 PVDWMIZKHNFLPF-UHFFFAOYSA-N 336.479 4.342 0 1 EIAF CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 6424591 VUOSBBZWOPIIAE-MNJDHSKXSA-N 343.320 4.297 0 1 EIAF Fc1cccc(Cl)c1Cc1nn2c(-c3ccccc3)nnc2s1 6476066 OSSNCHIWQZLYRD-UHFFFAOYSA-N 344.802 4.236 0 1 EIAF Cc1cc(C)c(NC(=O)c2cnc(Nc3ccccn3)s2)c(C)c1 14952152 DEFYQIKWJNOXOB-UHFFFAOYSA-N 338.436 4.459 0 1 EIAF CCCn1ccc2c(NCCc3ccc(OC)cc3)cccc2c1=O 43127972 OPUWYJQKOKACKJ-UHFFFAOYSA-N 336.435 4.075 0 1 EIAF CC(C)(Cc1cccc2ccccc12)NC[C@H](O)COc1ccccc1 45496731 PJHBLXHDNLLBTE-FQEVSTJZSA-N 349.474 4.190 0 1 EIAF Cc1cccc(-c2[nH]nc(C3CCN(C)CC3)c2-c2ccncc2)c1 49072977 YHIXTLKAKCYDJE-UHFFFAOYSA-N 332.451 4.256 0 1 EIAF CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)c1ccccc1 82150045 SSUHYWIBJGELSN-UHFFFAOYSA-N 345.855 4.209 0 1 EIAF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1F 82152906 MVFPSRKBYRRAIP-CHWSQXEVSA-N 344.434 4.021 0 1 EIAF CO[C@@H]1C[C@@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@H]1N2C 95540025 ODOVOZRQRRUTGF-UWHLTILDSA-N 337.463 4.043 0 1 EIAF Cc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1 96908905 CGLAAXXKQBXPQP-UHFFFAOYSA-N 338.461 4.296 0 1 EIAF COc1cc2ncnc(Nc3cccc(Cl)c3)c2c(OC)c1OC 96916411 LEAXHROUYBPKSW-UHFFFAOYSA-N 345.786 4.053 0 1 EIAF O=C(Nc1ccccc1)C1=C(O)CCn2c1nc1cc(Cl)ccc12 100018509 YJVXEMUJZMYDPE-UHFFFAOYSA-N 339.782 4.001 0 1 EIAF Nc1ncnc2c1oc1cc(-c3ccc(Cl)cc3Cl)cnc12 103244343 DXMSZKBTTLFUPL-UHFFFAOYSA-N 331.162 4.327 0 1 EIAF Oc1ccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)cc1 148314362 DYSJOJXNIGWNHT-UHFFFAOYSA-N 331.331 4.297 0 1 EIAF C[C@H]1C(=O)S[C@@](C)(Cc2cccc(Oc3ccccc3)c2)C1=O 169717825 NVAFOHJQQOQWCN-YJYMSZOUSA-N 326.417 4.259 0 1 EIAF COc1cc2nc(C)c(-c3ccccc3CO)c(O)c2cc1Cl 299821397 JYNSSVCYLUYCFE-UHFFFAOYSA-N 329.783 4.070 0 1 EIAF Fc1cccc2c(-c3nc4c(OC(F)(F)F)cccc4[nH]3)n[nH]c12 587175768 AYNNXNPOJATLQZ-UHFFFAOYSA-N 336.248 4.144 0 1 EIAF Cc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1Br 587252100 WAVOHALDWSYFSG-DAXSKMNVSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccc1)O2 587392400 ZECPDGLIGIWGNF-FQEVSTJZSA-N 332.403 4.134 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4c(C)cccc14)[C@@H](C2)C3=O 587437672 JANPVMKQMONWPP-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O 587444180 SOKOPWQPHFVPGM-HTAPYJJXSA-N 346.382 4.346 0 1 EIAF C[C@@]1([C@@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499095 RUOCPXJVJRDREL-HOCLYGCPSA-N 325.235 4.483 0 1 EIAF CC(C)=CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515599 VOOFKKYGYBKCHM-UHFFFAOYSA-N 339.479 4.331 0 1 EIAF O=C1C[C@]2(C[C@@H]3NCCc4cccc2c43)Oc2c1ccc1c2CCCC1 587523756 PKWBLJDGNKDQIL-CVDCTZTESA-N 345.442 4.017 0 1 EIAF Cc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607309 HUWLTRCLFABZAV-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF Cc1sccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611664 HJXSMPUXAAMELJ-QFBILLFUSA-N 338.384 4.465 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@@H]1CCCO1 587865920 PGBRSRDTFQIIOY-AWEZNQCLSA-N 340.345 4.147 0 1 EIAF O=C(O)/C=C/C=C/c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587969953 XEVIDXDTLZGQNF-FCXRPNKRSA-N 347.399 4.494 0 1 EIAF Cn1cc(C(=O)C(=O)N2CCCCC2)c2cc(-c3ccccc3)ccc21 1772638455 PFGKCFKNLBOTTM-UHFFFAOYSA-N 346.430 4.041 0 1 EIAF CN(CCOc1ccccc1)c1nc(-c2ccoc2)nc2ccccc12 1857593575 OEDJYSNEHYQMML-UHFFFAOYSA-N 345.402 4.405 0 1 EIAF CCCCCC=CC[C@H](O)[C@@H](O)CC=CCC=CCCCC(=O)O 2356621018 LRPPQRCHCPFBPE-OALUTQOASA-N 338.488 4.382 0 1 EIAF CCCCNC(=O)[C@]1(C)CCCCCN1Cc1cc2ccccc2o1 61926376 QBDFHLKBVOXOMV-NRFANRHFSA-N 342.483 4.484 0 3 EIAF Cc1ccc2c(C[C@@H](C)NC[C@@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488813 WOWWREMXHNACHB-JLTOFOAXSA-N 342.870 4.384 0 1 EIAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccsc1 64415653 LNROKOGUORZBBV-QZTJIDSGSA-N 329.465 4.059 0 1 EIAF in-vivo Cc1oc(-c2ccccc2O)cc1C(=O)Nc1nc2c(s1)CCC2 72178884 CMXHNYDPLQVLDY-UHFFFAOYSA-N 340.404 4.158 0 1 EIAF COC[C@@]12CN(C(C)C)CC[C@]1(c1ccc(Cl)c(Cl)c1)C2 96900984 UOWSMEUBNCLAHO-IAGOWNOFSA-N 328.283 4.382 0 1 EIAF C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC/C(C)=C/CC1 101059542 FAEJVRZJKQNLJF-XNWBBMLMSA-N 331.500 4.343 0 1 EIAF O=C(Nc1ccccc1Cl)c1cn2cc(-c3ccccn3)ccc2n1 146534065 JGKSBOHYOMRIQH-UHFFFAOYSA-N 348.793 4.302 0 1 EIAF Cc1ccc(-c2cc(C(=O)Nc3cc[nH]n3)c3ccccc3n2)cc1C 169303928 YCMVSVGNAJNDNE-UHFFFAOYSA-N 342.402 4.494 0 1 EIAF CCCNC(=O)c1ccc(-n2c(C)nc3cc(Cl)ccc32)s1 169701597 QKJUOIFNNDLGQI-UHFFFAOYSA-N 333.844 4.189 0 1 EIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cc2N1 169704854 FXEKRZUWDWVCFU-DLBZAZTESA-N 349.434 4.029 0 1 EIAF Cc1nc(O)c2nc(Nc3ccc(Cl)c(Cl)c3)sc2n1 299855037 AWGZEXWPQSXDIO-UHFFFAOYSA-N 327.196 4.151 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)c(F)cc2[nH]1 586916364 LQWCUQPWPMCGNM-XOBRGWDASA-N 338.382 4.227 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(C)c2[nH]1 586963840 QLDCBPWYJXPRSU-ZDUSSCGKSA-N 328.441 4.227 0 1 EIAF Clc1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006098 HDWBTFRSEGOXKA-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cnc4ccccc4c3[nH]2)c1 587050844 RHSVVMCTZDDFHK-UHFFFAOYSA-N 336.782 4.390 0 1 EIAF O=C(O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061653 WXVBJAXJVOJBNU-UHFFFAOYSA-N 339.738 4.237 0 1 EIAF Cn1nc(C(F)(F)F)c(-c2cc3c4c(cccc4n2)CC3)c1Cl 587210226 KLCSFGRYULRMLM-UHFFFAOYSA-N 337.732 4.406 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccnc(Cl)c3c1)O2 587380906 XVXCLWLBUSIJHE-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF COc1ccc2c(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)oc2c1 587414604 WKYLRXGZZJNDPI-GOSISDBHSA-N 337.375 4.347 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccc1)[C@@H](C2)C3=O 587429317 BBCGPYIVEGMIEQ-JTSKRJEESA-N 345.398 4.034 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1)CC2=O 587479173 LDPGURMMKZJXMT-LJQANCHMSA-N 326.392 4.450 0 1 EIAF Nc1cc(F)cc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504495 JCPROIYBSQWFCS-QGZVFWFLSA-N 329.346 4.132 0 1 EIAF CCOCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534055 VIHAHCQBTYVKFF-IBGZPJMESA-N 326.392 4.401 0 1 EIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CCO[C@H]1C21CCCC1 587535561 LERLJDDVZVHBIK-UCNVEGJOSA-N 338.447 4.249 0 1 EIAF Cc1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587589044 NBVMSFULVUFDLP-GHTZIAJQSA-N 349.386 4.348 0 1 EIAF C[C@@H]1C[C@@H]1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955206 KCWLNHCRXCTELU-WQGACYEGSA-N 325.374 4.054 0 1 EIAF CC(=O)OC(C)(C)CC[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963115986 BMQIKZMGZHFUNK-HNNXBMFYSA-N 330.255 4.302 0 1 EIAF CC1CCN(CCn2c3ccccc3c3nc4c(nc32)CCCC4)CC1 1772629140 ZSWDEBWFASHIOO-UHFFFAOYSA-N 348.494 4.195 0 1 EIAF CC(C)CN=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12 1857767791 STCWJTWNLYWKBK-UHFFFAOYSA-N 344.821 4.078 0 1 EIAF CCCCC[C@H](O)[C@@H](O)C=CC=CC=CCC=CCCCC(=O)O 2356388100 RFCYXKNVYQOCTM-OALUTQOASA-N 336.472 4.158 0 1 EIAF CCCCCC=CCC=CC[C@@H](O)[C@H](O)CC=CCCCC(=O)O 2356594553 DCJBINATHQHPKO-RTBURBONSA-N 338.488 4.382 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@H]1OC(=O)C(C)C 2356658137 HVFJSBZJDKFFKY-QILLFSRXSA-N 334.456 4.056 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CCC(=O)O[C@@]4(C)CC[C@H]32)C1 263592252 KCXUMZXWLRGXME-DSWAIOAZSA-N 348.483 4.256 0 3 EIAF Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 6900691 BOFAVAZLOMIJLY-KSSFIOAISA-N 348.450 4.037 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26391327 NNSRXNWUJQJDLG-MXFZCALKSA-N 347.543 4.094 0 1 EIAF COC(=O)[C@@H]1[C@H](c2cccc(-c3ccccc3)c2)C[C@@H]2CC[C@H]1N2C 36270907 GDTWDHOANPFJQI-UWHLTILDSA-N 335.447 4.093 0 1 EIAF CC[C@@]12CCCN(CCc3c(n(COC)c4ccccc34)CC1)C2 43074602 BTMSPIIXHRUNDY-OAQYLSRUSA-N 326.484 4.226 0 1 EIAF biogenic CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccc(Cl)c1 45484514 SBJUUKQEPULACO-SJORKVTESA-N 343.810 4.115 0 1 EIAF COc1ccc2c(c1OC)CN(C)c1c-2ccc2cc3c(cc12)CCO3 70451191 CGMPPNRJRHWGSB-UHFFFAOYSA-N 347.414 4.409 0 1 EIAF biogenic,in-vitro COc1ccc(-c2ccc3nnc(-c4ccccc4C)n3c2)cc1OC 74387397 PJPNAVRBOFHPIT-UHFFFAOYSA-N 345.402 4.389 0 1 EIAF COc1ccc(CNc2cncc(Oc3cccc(F)c3)n2)cc1 82068856 FBSHRMKFSMGKOQ-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF c1cc2cc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)ccc2o1 114334098 PLAYNEJTZXFWOI-LJQANCHMSA-N 346.434 4.386 0 1 EIAF CO[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2CC/C(C)=C\CC[C@]1(C)O 169315758 UPAIMEGFTSSJTL-UECOLBCMSA-N 348.483 4.241 0 1 EIAF CCC1=C(C)/C(=C/c2ccc(C(=O)NC(N)=O)cc2)CCC1(C)C 169339859 UPLPODLSOFJAMY-FOWTUZBSSA-N 326.440 4.425 0 1 EIAF C[C@H]1C[C@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 195451756 UIVXVKDVVGELNW-VFCRVFHLSA-N 339.410 4.403 0 1 EIAF Cc1[nH]c(-c2ccccc2NC2C3CC4CC(C3)CC2C4)cc1C(N)=O 221398221 YKOVCVLNIAAKKI-UHFFFAOYSA-N 349.478 4.326 0 1 EIAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C(C)(C)C)cc1 225933105 MDRIPRQWTFFXTF-UHFFFAOYSA-N 335.407 4.145 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(N)ccnc2[nH]1 587011147 DHLCGTNCWPDFIN-UHFFFAOYSA-N 341.827 4.292 0 1 EIAF CCc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587039513 FYPAOJYNELSCTF-AWEZNQCLSA-N 333.457 4.108 0 1 EIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C)cc2[nH]1)C(F)(F)F 587091924 IZQUQONTYKTXOO-QGZVFWFLSA-N 349.356 4.035 0 1 EIAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n(C)n1 587098083 NBZFRSIYCYYQMA-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF FC(F)(F)c1cccnc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587108407 MAHFKQTVXOXFFW-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF Oc1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587160304 AMNYLKJISFDDED-WDEREUQCSA-N 347.187 4.441 0 1 EIAF Cc1cc(C)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 587167720 BPWYKCZKNZZIFG-UHFFFAOYSA-N 347.397 4.444 0 1 EIAF O=C(/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccccc1 587244610 QFSPGLHYUHPADC-SREVYHEPSA-N 333.725 4.146 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(C(C)C)[C@@H](C2)C3=O 587440242 BMWUXHLGIMLBOX-PGRDOPGGSA-N 336.431 4.389 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1F)CC2=O 587472626 SFSRGRFDCVSTMI-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(C)cn13)CC2=O 587487420 FPMUGTWKBJDLIR-GOSISDBHSA-N 336.391 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCO[C@H](C(C)C)C1)CC2=O 587494293 YBAUCVSKLWFGFB-VMDGZTHMSA-N 332.440 4.130 0 1 EIAF Cc1nccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587527688 VJZMRDUSHUBVDD-LJQANCHMSA-N 332.403 4.457 0 1 EIAF O=C1C[C@]2(CCCC23CCOCC3)Oc2c1ccc1c2CCCC1 587536537 VFBIUFWOKPOBDF-NRFANRHFSA-N 326.436 4.250 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 587588701 RMOIRNLFKINUIL-GHTZIAJQSA-N 347.370 4.107 0 1 EIAF COC(=O)c1ccnc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc12 587962176 UQLYXEICQNIHBV-UHFFFAOYSA-N 343.386 4.002 0 1 EIAF CCOc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O 653829425 AVNJXMDNLVPHGQ-QVDQZQSHSA-N 348.439 4.065 0 1 EIAF CN(c1ccc(Cl)nc1)c1n[nH]c2cc(C(F)(F)F)ccc12 1772593429 KLWKVKHHECFXTR-UHFFFAOYSA-N 326.709 4.398 0 1 EIAF COc1ccccc1COc1ccccc1-c1nc2cccnc2o1 1772639582 PBRVQORSQXPWPY-UHFFFAOYSA-N 332.359 4.477 0 1 EIAF C[n+]1c(-c2ccccc2)cc2/c(=C/c3ccccc3)c3ccccc3n21 5850827 PEODWEZQVBCRQA-LTGZKZEYSA-N 335.430 4.132 0 1 EIAF CCOC(=O)N[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 6404011 HQBZCHGQOFKTGF-AGRFSFNASA-N 343.467 4.363 0 1 EIAF Cc1ccccc1CN(C[C@H](O)C(F)(F)F)c1cccc(F)c1 13490881 KSXYSMZIGGNOHL-INIZCTEOSA-N 327.321 4.064 0 1 EIAF CCCCC[C@H](O)C1=C[C@H]2c3c(ccc(O)c3C=O)C[C@H]2C(C)(C)O1 14857006 JGWMXJGHFYUWFO-KYJSFNMBSA-N 344.451 4.095 0 1 EIAF biogenic Brc1ccc2[nH]c(/C=C/c3ccc4c(c3)OCO4)nc2c1 45286745 IRFKXKZQQRONDX-QHHAFSJGSA-N 343.180 4.225 0 1 EIAF CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1 66112480 JFRNXVVABUJBFV-UHFFFAOYSA-N 339.345 4.437 0 1 EIAF COc1cc(O)c2cc(-c3cc(OC)c(C)c(OC)c3C)oc2c1 72176196 YGZZMWPIMILKPS-UHFFFAOYSA-N 328.364 4.448 0 1 EIAF Cc1nn2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(C)nc2s1 84668876 JHCVNCUWPLFZSO-OQLLNIDSSA-N 346.415 4.054 0 1 EIAF O=C1C=C(COc2cc(Cl)cc(Cl)c2)CN1Cc1ccccc1 95554325 XMOLZBJSAKMLFW-UHFFFAOYSA-N 348.229 4.341 0 1 EIAF O=C(CCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc(F)cc1 102922790 QLRPFKUVPXCTDC-UHFFFAOYSA-N 347.773 4.040 0 1 EIAF CCOc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2F)[nH]1 103263243 GKDOMBUWSZHQDB-UHFFFAOYSA-N 347.777 4.379 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(C)cc1 103523745 AZUWFBLOJBUFHR-BDBAMQCISA-N 343.423 4.196 0 1 EIAF O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCCCC3)nc2c1 116232345 CRNBFDSASPQSIZ-UHFFFAOYSA-N 347.418 4.375 0 1 EIAF Cc1cc2c(cc1C)N=C(N1CCN(C)CC1)CC(c1ccccc1)=N2 139031609 XQRHQEXNVQZHJT-UHFFFAOYSA-N 346.478 4.105 0 1 EIAF COc1ccc([C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)cc1 169317801 ZFULOATWXYGOIU-IIBYNOLFSA-N 330.431 4.214 0 1 EIAF O[C@H]1C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 586905234 ZWQODFFJXRJNFB-MFKMUULPSA-N 347.187 4.034 0 1 EIAF N[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587156432 NKKICUDRCAJQIP-ZBEGNZNMSA-N 335.304 4.062 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CC[C@H]3C(=O)C1 587207023 HGZRRJSTRVGIIN-RISCZKNCSA-N 325.367 4.380 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c32)n1 587245349 WFQHREMOSAPYQA-VAWYXSNFSA-N 328.375 4.071 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCCc4ccc(F)cc41)[C@@H](C2)C3=O 587428950 RFNREDHUBGJMMD-LAUBAEHRSA-N 338.378 4.204 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3c(F)cccc31)CC2=O 587472881 WILQFYASIRIZBK-HXUWFJFHSA-N 341.382 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)o1)CC2=O 587474511 HQRFTCQBFXMLFE-SFHVURJKSA-N 341.407 4.244 0 1 EIAF Cc1cnc(Cl)nc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500542 PVERBQCBUQJXQS-LJQANCHMSA-N 342.826 4.198 0 1 EIAF COc1ccccc1CNC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587627314 SDYMWONUNXGRNQ-UHFFFAOYSA-N 342.826 4.377 0 1 EIAF CC(C)CC[C@@H](C)N[C@@H]1C=C(c2ccc3ncsc3c2)N=CN1C 653686242 KSWVWHLHTUQESH-KUHUBIRLSA-N 342.512 4.351 0 1 EIAF c1ccc(CC2CCN(C[C@@H]3COC4(CCCCC4)O3)CC2)cc1 653710292 OYNYCRXJGVFMSF-HXUWFJFHSA-N 329.484 4.017 0 1 EIAF C=C1NC(=O)C2=C1[C@]1(C)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]1CC2 1772574576 YWEXXDIDIWGZDE-OSYWVQGVSA-N 343.467 4.034 0 1 EIAF CCCOc1cc(NC(C)=O)nc(S[C@@H](C)c2ccccc2)n1 1857770810 LBBZLRSTZZXWIO-LBPRGKRZSA-N 331.441 4.077 0 1 EIAF CCCNC(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)cc2)c1C 1911583033 RTSILOMELSWSJC-UHFFFAOYSA-N 338.373 4.381 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@@H]1C 2356675167 JMPCBBCNNVGUKM-NIJZUDBWSA-N 330.424 4.028 0 1 EIAF COCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356708701 ZGUWBFQPMRYQET-CHVLWZAPSA-N 348.527 4.222 0 1 EIAF CCN(c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1)C1CCCCC1 2500202 MKTZCCIKNCKFPX-UHFFFAOYSA-N 348.450 4.144 0 1 EIAF CCCN(CCC)c1nc(Cl)nc(N[C@@H](C)c2ccccc2)n1 5833224 NHGKFNBFJGDLNM-ZDUSSCGKSA-N 333.867 4.325 0 1 EIAF CC(C)(C)c1cc(C(=O)Nc2nccs2)cc2c1OCC2(C)C 27100516 MWZHZIXRFUYDEH-UHFFFAOYSA-N 330.453 4.363 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 27899650 NNSRXNWUJQJDLG-GWGFEFTLSA-N 347.543 4.094 0 1 EIAF CC(C)(CCCCCC(=O)CCCCC(C)(C)C(=O)O)C(=O)O 28464661 NMIUGMLFTOGQAT-UHFFFAOYSA-N 328.449 4.288 0 1 EIAF CN1CCC[C@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@@]21C 31829856 AYIZBBPMNRJANA-HDRHIQQSSA-N 329.488 4.026 0 1 EIAF O=C(O)[C@H]1CCCN(CC[C@H](Cc2ccccc2)c2ccccc2)C1 34094076 ZMLFETNLPXOENJ-RTWAWAEBSA-N 337.463 4.200 0 1 EIAF CC(C)N1C(S)=N[C@H](c2ccccc2)c2cc3c(cc21)OCO3 39290304 FKWVWOPYMNGCCN-QGZVFWFLSA-N 326.421 4.019 0 1 EIAF CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1 40392303 DUXCVYIPXRRATG-UHFFFAOYSA-N 342.420 4.244 0 1 EIAF in-vitro CC(=O)c1ccc(-c2ccc(N)c(NC(=O)c3ccccc3)c2)cc1 49785489 NWHQDZJUELCUHQ-UHFFFAOYSA-N 330.387 4.391 0 1 EIAF in-vivo COc1cc2ncnc(N(C)c3ccc(F)c(Cl)c3)c2cc1OC 64453657 SWVFSGKKNRTKGM-UHFFFAOYSA-N 347.777 4.207 0 1 EIAF Fc1cccc(CN[C@H]2CCCC[C@H]2NCc2cccc(F)c2)c1 66100621 FMMFCVLGNDDXKS-BGYRXZFFSA-N 330.422 4.155 0 1 EIAF COc1cc(CCc2cc(O)cc(OC)c2CC=C(C)C)ccc1O 96910242 WKZNVUIMMVELQA-UHFFFAOYSA-N 342.435 4.409 0 1 EIAF OC1=C2C(=Nc3ccnn3[C@@H]2c2cccc(Br)c2)CCC1 100790287 BGERXPZPGRPROH-MRXNPFEDSA-N 344.212 4.317 0 1 EIAF CN(CCc1ccccc1)CC[C@H]1CC[C@H](Nc2ncccn2)CC1 100803052 OMLKVBCFEFXJLV-BGYRXZFFSA-N 338.499 4.012 0 1 EIAF CC1(C)C(Cl)(Cl)[C@]1(C)C(=O)NCCc1csc(Cl)c1 103272409 WTEFQIHPKLSIOX-GFCCVEGCSA-N 340.703 4.280 0 1 EIAF Cc1onc(-c2ccccc2)c1COc1ccc(Br)cn1 143265435 PIRCSLOVSHDWOO-UHFFFAOYSA-N 345.196 4.387 0 1 EIAF CC1=NC(=O)N[C@H](c2cccc3ccccc23)[C@@H]1C(=O)OC(C)(C)C 169693317 YMSLXGUMJSQSLR-IAGOWNOFSA-N 338.407 4.023 0 1 EIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(F)c2[nH]1 587042748 LSOTUNHZLAKYKY-CYBMUJFWSA-N 347.802 4.011 0 1 EIAF O[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl 587060027 YPHRSMUOCVYIME-CYBMUJFWSA-N 329.133 4.230 0 1 EIAF CC1(C)COC2(C[C@@H]3c4c(nc5cccc6c5c4CC6)C[C@@H]3C2)OC1 587215377 GUTOVXZWQVBXHX-ZBFHGGJFSA-N 335.447 4.152 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O 587424044 WTNVFLILDQMSAV-WLRWDXFRSA-N 339.778 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)ccc4ncccc14)[C@@H](C2)C3=O 587436858 UXHFXJFLSFVBCL-YCRPNKLZSA-N 331.371 4.041 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cc1N)CC2=O 587461069 JQUUZJIXZNUBFX-IBGZPJMESA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C)CC(=O)C[C@@]2(C)C1 587478685 HDMPJTYGCGLHMD-AERCQKQUSA-N 342.435 4.218 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)C)nc1)CC2=O 587486784 LLHGMVZTCKHRHI-SFHVURJKSA-N 341.407 4.233 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc[nH]c32)N1 587801086 DIMSKKAJLZQCBF-QGHHPUGFSA-N 349.247 4.030 0 1 EIAF C[C@H](CN1CCCCCC1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875896 OSGIVVSEDKERHX-CYBMUJFWSA-N 343.402 3.947 0 1 EIAF CC(C)n1nccc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962692315 AYZWTJWPQVTQNT-IFXJQAMLSA-N 345.487 4.056 0 1 EIAF Clc1cccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)c1 1857609073 DYVCWFHLMCIFHW-UHFFFAOYSA-N 347.809 4.104 0 1 EIAF Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2)cc1 312488 UHUVVVQQHDKWFL-UHFFFAOYSA-N 332.367 4.117 0 1 EIAF Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F 14960299 BQWUBCRDJPIJAT-UHFFFAOYSA-N 338.342 4.110 0 1 EIAF CCO[C@@H](c1ccc(OC)cc1)c1ccc(C(C)C)cc(=O)c1O 28220281 JIAACAFWDFFLTP-FQEVSTJZSA-N 328.408 4.010 0 1 EIAF CCCCOCCOc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1 40897866 JXQRCYPIISFGII-UHFFFAOYSA-N 332.371 4.386 0 1 EIAF Cc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C 66073719 YETLEIOGLMOZOZ-UHFFFAOYSA-N 345.468 4.387 0 1 EIAF CCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 66123124 QEHJBVYJXUYUBW-UHFFFAOYSA-N 344.374 4.100 0 1 EIAF Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@@H]2CCCC[C@@H]2C3)cc1 101742728 WPKQJUXBHISZDT-CVEARBPZSA-N 340.492 4.125 0 1 EIAF CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C[C@H]1c1ccccc1 103082319 CFRBKWVGXJXQNV-FQEVSTJZSA-N 349.430 4.255 0 1 EIAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)N1CCCC1 103259411 YQZZBARBIAMPGB-UHFFFAOYSA-N 342.786 4.171 0 1 EIAF O=C(Nc1ccc(CC[C@H]2CCCN2)cc1)c1ccc(Cl)cc1 117720390 UUSZBTNSQDCNAK-QGZVFWFLSA-N 328.843 4.277 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 253898124 QLZOSNWYWZNEJT-ORPNCOOFSA-N 330.468 4.452 0 1 EIAF Cc1cc(N[C@@H](C)c2c(C)cccc2C)c2cccc(C(N)=O)c2n1 473096587 ZKNDHOVZPCUZKT-HNNXBMFYSA-N 333.435 4.432 0 1 EIAF Brc1nccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882709 AGIOOGNAAAVWFJ-YPIXOSSWSA-N 332.245 4.188 0 1 EIAF O=C(O)c1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1F 586898695 LEUMEQPKBDANDK-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF Cc1c(-c2nc3cc(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905634 XEPUDMJMWBPMNB-GFCCVEGCSA-N 347.212 4.264 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 586962063 NZLRPFMSWFTUIZ-GFCCVEGCSA-N 326.421 4.329 0 1 EIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C)cc3[nH]2)cc1 586970608 MTUVSMPTDKNLOV-UHFFFAOYSA-N 339.464 4.094 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 587059029 LORPKCVLUJIARX-VIFPVBQESA-N 341.629 4.161 0 1 EIAF Clc1nc(-c2nc3ncnc(Cl)c3[nH]2)ccc1-c1ccccc1 587084335 YWGQASZZRPLRNS-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF O=C(/C=C/c1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccccc1 587243561 GDNVTSNZGIWTTG-MDZDMXLPSA-N 347.296 4.113 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c(F)cccc14)[C@@H](C2)C3=O 587429945 XVCHTZRMFDBDPU-KKSFZXQISA-N 334.346 4.476 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N=O)CC2=O 587469888 PRSIIRCBZUDEJB-XCLFUZPHSA-N 339.391 4.360 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)(C(C)C)CC2=O 587482585 CHRVNLXNDOKPEQ-FQEVSTJZSA-N 325.408 4.256 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(CC)noc1C)CC2=O 587484549 PNNIWNHLNLPRPM-IBGZPJMESA-N 329.396 4.084 0 1 EIAF O=C1C[C@@H](c2cc(Cl)ncc2O)Oc2c1ccc1c2CCCC1 587497730 GGTUKUURYBPADP-INIZCTEOSA-N 329.783 4.026 0 1 EIAF C[C@]1([C@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499080 RUOCPXJVJRDREL-GDBMZVCRSA-N 325.235 4.483 0 1 EIAF C(=C/c1nc2ncc[nH]c-2n1)\c1ccc(OCc2ccccc2)cc1 587784173 OEIZMWHOOPOGDK-DHZHZOJOSA-N 328.375 4.054 0 1 EIAF CSCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587843509 IPQFEUZWHWZGAH-OTYXRUKQSA-N 332.282 4.307 0 1 EIAF C[C@H]1CCCC[C@@H]1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876278 NEFZZHPGAHFUPW-GWCFXTLKSA-N 331.416 4.096 0 1 EIAF COCCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 618009387 BXVFKOZAVSMADJ-UHFFFAOYSA-N 349.478 4.040 0 1 EIAF CCCCCn1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN32)n1 963094617 CJGDQBPPSXACMP-UZLBHIALSA-N 327.447 4.322 0 1 EIAF COc1cccc([C@H](O)c2nc(-c3cccc4cccnc34)cs2)c1 61925507 CQSUOINIDGQDEY-IBGZPJMESA-N 348.427 4.449 0 3 EIAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccccc1 26571660 HNPUHUYRWKEFCY-MRXNPFEDSA-N 334.394 4.487 0 1 EIAF CC[C@H](C(=O)Nc1ccc(CCCC(=O)O)cc1)c1ccccc1 26575791 JYJJZEZHHUDUQH-SFHVURJKSA-N 325.408 4.226 0 1 EIAF OCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 28563954 XZNBYPWHHNKCLM-UHFFFAOYSA-N 327.387 4.298 0 1 EIAF COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)cc1O 35949724 XFEICBDAXKWVBZ-KBPBESRZSA-N 330.424 4.172 0 1 EIAF biogenic COc1ccc(C[N+]2=C3c4ccccc4-c4ccccc4N3CC2)cc1 38153010 UNBAAJSABNDCMT-UHFFFAOYSA-N 341.434 4.155 0 1 EIAF NNc1ncnc2c1cc(-c1ccc(Cl)cc1)n2-c1ccccc1 64436262 NPNJBJYZQRSAAD-UHFFFAOYSA-N 335.798 4.027 0 1 EIAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCN(C)C 72123249 WJRKINJUFPNAKE-IBGZPJMESA-N 327.859 4.357 0 1 EIAF COc1ccc(Nc2cc3c(cn2)ncn3Cc2ccco2)c(C)c1 74388623 SQUFBUFNMKYEQR-UHFFFAOYSA-N 334.379 4.133 0 1 EIAF CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82164843 IRJIRPPAOSQVCH-LLVKDONJSA-N 326.375 4.457 0 1 EIAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccco2)s1 82165627 TVMHIZSGVOBORS-UHFFFAOYSA-N 326.425 4.023 0 1 EIAF CCCCCC[C@H]1CC(=O)[C@H]2CCCC[C@@]23CC[C@H](COC(C)=O)N13 140621777 WENCIPPGJFUDAM-QEUVDIPISA-N 349.515 4.255 0 1 EIAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(Oc3ccccc3)cc2)C1=O 169720229 ZRNQPLQZPDKUGI-ORAYPTAESA-N 326.417 4.259 0 1 EIAF CC(C)(C)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2n1 587020477 AGNOINVJHGTJOL-UHFFFAOYSA-N 349.463 4.458 0 1 EIAF Cc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587032505 XHVZTYYFDWVEIZ-UHFFFAOYSA-N 349.253 4.435 0 1 EIAF CC(C)Oc1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587042876 IBCAEPKNNTYZMH-UHFFFAOYSA-N 339.420 4.061 0 1 EIAF FC1(F)Oc2cc3nc(CNc4ccccc4Cl)[nH]c3cc2O1 587061158 BONBYMZTXSJULQ-UHFFFAOYSA-N 337.713 4.150 0 1 EIAF CC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587081707 UOKBCDJIMQGIOI-UHFFFAOYSA-N 341.798 4.020 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1Cl)CC2=O 587462846 RGVSZPZKZGMUFC-SFHVURJKSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC(C)C)CC2=O 587476910 BNJAQHRBJDMAKA-FQEVSTJZSA-N 348.439 4.048 0 1 EIAF C[C@H]1CCCN(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515575 VFEMENZETAEUOC-YCRPNKLZSA-N 327.468 4.021 0 1 EIAF Cc1ccc2nc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 587516045 UECCGNFZAJVXMI-JOCHJYFZSA-N 346.430 4.402 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 587783776 ACJSIEIODDCISR-UONOGXRCSA-N 326.783 4.160 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587829329 QHMFRWCDKPBBRF-BCTVWOGZSA-N 338.220 4.422 0 1 EIAF COc1ccc(CCCc2nc3ccc(F)c(C)c3[nH]2)cc1OC 587925418 ORYNCPADQQSJMB-UHFFFAOYSA-N 328.387 4.203 0 1 EIAF COc1cccc(CCc2nc3ccc(Br)c(F)c3[nH]2)c1 587931239 NDSXDAUEXNLPFB-UHFFFAOYSA-N 349.203 4.258 0 1 EIAF c1coc(CN2CCc3sccc3[C@H]2c2c[nH]c3ncccc23)c1 962715417 WOKMDJFUJZBCKT-SFHVURJKSA-N 335.432 4.365 0 1 EIAF CN(CCOc1ccccc1)c1nc(-c2ccco2)nc2ccccc12 1857560863 PVPHPHLCHCQZBF-UHFFFAOYSA-N 345.402 4.405 0 1 EIAF Fc1ccc([C@H](Cn2cncn2)OCc2cccc(Cl)c2)c(F)c1 1857766417 ZFKQUMXLWVXEMJ-KRWDZBQOSA-N 349.768 4.168 0 1 EIAF CO[C@@H](C=C(C)C)CC(C)=CCOc1ccc2ccc(=O)oc2c1 2356349242 ZKUVESFSLKJZMT-SFHVURJKSA-N 328.408 4.489 0 1 EIAF COc1cc(O)ccc1C=CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2356592579 CPJMZTUMYSQEGK-WIBUTAKZSA-N 330.424 4.172 0 1 EIAF COc1ccc([C@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 61929993 RQGAZZNLHIEIQR-SFHVURJKSA-N 347.386 4.353 0 3 EIAF O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=Nc3ccccc3CN21 6002627 VETUKMSKEWYIOQ-NRFANRHFSA-N 346.817 4.441 0 1 EIAF COc1cc2c(cc1C(C)C)C(=O)O[C@@]1(O)C(C)(C)CCC[C@]21C 13412447 MCRAIDDVIKPKMP-UXHICEINSA-N 332.440 4.145 0 1 EIAF biogenic CCn1ncc2c(OCCC(C)C)c(C(=O)c3ccccc3)cnc21 13488406 YPZGBORGXOFHCQ-UHFFFAOYSA-N 337.423 4.107 0 1 EIAF CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(Cl)cc2)n1 13642375 RYPLGTSJJHETNP-UHFFFAOYSA-N 326.783 4.369 0 1 EIAF Cc1ccc(O)cc1CCC1=C2CC[C@@H]3[C@H](C)N(C)C[C@@]23CCC1=O 14968071 GIOKUXWVWCSZCW-VQPPSCEASA-N 339.479 4.023 0 1 EIAF biogenic CCCN(CCC)c1cc(C)nc2c(-c3ncccc3C)c(C)nn12 28359814 SFADZEOCSGZUHS-UHFFFAOYSA-N 337.471 4.343 0 1 EIAF Clc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccccc3)O2)cc1 28770220 GNKNXEUGOUKHKP-RTBURBONSA-N 340.810 4.178 0 1 EIAF Cc1ccc(Nc2ncc(C(=O)N3CCC[C@@H](C)C3)cc2Cl)cn1 45352929 WGPFQCFVRYXRSD-GFCCVEGCSA-N 344.846 4.054 0 1 EIAF Clc1ccc(-n2nnc(-c3cnc4ccccc4c3)n2)cc1Cl 64653764 GAPNXVMMOZVHTP-UHFFFAOYSA-N 342.189 4.184 0 1 EIAF CCN(C)c1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 82176201 HMJWBQFTPFPWHR-UHFFFAOYSA-N 326.375 4.011 0 1 EIAF CC(C)(C(=O)O)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 95560172 KKRDUARDBIREMO-SFHVURJKSA-N 335.407 4.327 0 1 EIAF CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccccc1F 103282027 LTFWQIRKSLNLNG-ZRNYENFQSA-N 328.383 4.160 0 1 EIAF O=N/C=C1/C=CN(C/C=C/CN2C=C/C(=C\N=O)C(F)=C2)C=C1F 141196649 CLTIDBHIBLBHQS-ZBDTXHCMSA-N 332.310 4.124 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 253994972 WYLVHBJTPIXZSO-UCGFNCKJSA-N 332.484 4.243 0 1 EIAF CC[C@H](C)C(=O)OC/C=C/c1ccc(OC(=O)[C@@H](C)CC)c(OC)c1 473105934 UONUZYXNRTZXOP-JJGIJDNGSA-N 348.439 4.249 0 1 EIAF O=C(NCCCCCCn1ccc2ccccc21)Oc1cccnc1 473127350 BJPDHIIFKCYDNC-UHFFFAOYSA-N 337.423 4.385 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 586915074 ACTUTARRTYFWPX-BLVKFPJESA-N 342.345 4.058 0 1 EIAF COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1C 587081222 KYIAZOCZDDUZHI-UHFFFAOYSA-N 343.814 4.134 0 1 EIAF Cc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1 587146555 QBCTVWHBCGBIRW-UHFFFAOYSA-N 330.672 4.091 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4cccc(Cl)c4[nH]3)c2)cc1 587165548 ZFTOPUKNAYGZIX-UHFFFAOYSA-N 326.762 4.267 0 1 EIAF Fc1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1Br 587177662 SINKOJYYBORFAI-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 587233372 NTGNBFYEURTHKM-UHFFFAOYSA-N 330.391 4.342 0 1 EIAF CC(C)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346635 JWZXARONVGJQFW-AZUAARDMSA-N 344.382 4.074 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccncc3)cc1F)O2 587385407 NXQHQARAJUUJNM-HXUWFJFHSA-N 348.377 4.485 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3nc(Cl)ccc31)CC2=O 587461461 MTCVPNBKIDLPOF-LJQANCHMSA-N 343.810 4.200 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(C)c1O)CC2=O 587466858 NRGDYJFTXNUVBE-KRWDZBQOSA-N 330.355 4.204 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3c[nH]nc13)CC2=O 587478163 AMCJJFXFGMQXEI-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCO[C@@H](C)n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517084 GPZBUQJHFPKDHG-DJJJIMSYSA-N 340.423 4.023 0 1 EIAF COC(=O)c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526129 RRFZXKSJGWIKEG-IBGZPJMESA-N 336.387 4.059 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1 587570925 MUCYDBAGIMUSJW-FXAWDEMLSA-N 336.318 4.234 0 1 EIAF CN1CCc2c(sc3ncnc(Nc4ccc(Cl)cc4)c23)C1 1857553294 GLGRJDXRCNLFND-UHFFFAOYSA-N 330.844 4.076 0 1 EIAF COc1ccccc1C(=O)CC(=O)c1ccc(OC(F)(F)F)cc1 1857569492 NRJDBXJHZOYFKR-UHFFFAOYSA-N 338.281 4.050 0 1 EIAF CCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6935821 HJXDUTUAVHDRAP-UHFFFAOYSA-N 345.874 4.412 0 1 EIAF O=c1c2cc3ccccc3cc2[nH]c(=S)n1CCc1ccccc1 7280700 WRRTTZMFPGTZKV-UHFFFAOYSA-N 332.428 4.455 0 1 EIAF c1ccc(CCCSc2nsnc2[C@H]2CN3CCC[C@H]2C3)cc1 26732462 FRQOAGFZQPVQIN-HOTGVXAUSA-N 345.537 4.072 0 1 EIAF O=c1c(Cl)c(CSC(=S)N2CCCC2)oc2ccccc12 42921282 ORJUBMGGPUAMEK-UHFFFAOYSA-N 339.869 4.060 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1 586878462 DTMFYSLBOWAZEB-WAYWQWQTSA-N 334.162 4.133 0 1 EIAF Cc1c(F)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006520 MGCUSXHYXXUDSP-UHFFFAOYSA-N 345.175 4.088 0 1 EIAF Cc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C 587114211 RCEQKVQSYIRAMW-AWEZNQCLSA-N 333.357 4.441 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1C 587125654 SIFCIESUUWSZFE-RNCFNFMXSA-N 349.360 4.351 0 1 EIAF c1cc2c3c(c4c(nc3c1)CC[C@@H](C1CCC3(CC1)OCCO3)C4)CC2 587215647 LACZMRQYULJDJE-QGZVFWFLSA-N 349.474 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@@H]3CCCO3)s1)O2 587409287 HMVPIGXEMGRSQP-LSDHHAIUSA-N 329.421 4.197 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1N)CC2=O 587462244 OCOYMXGAQWPUEF-LJQANCHMSA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccccc1)CC2=O 587484891 OJVQZCREJQOOOS-LJQANCHMSA-N 348.402 4.441 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587951940 KGWIZWTXNWODAZ-HCKVZZMMSA-N 334.391 4.447 0 1 EIAF CN[C@@H]1C=C[C@H]([C@@]23CC[C@H](C)[C@@]4(CCC(C)=C4C2)C3(C)C)[N@]2C[C@@H]12 2356369321 QMXHHGQOIZSXQQ-KCRHHUJWSA-N 326.528 4.140 0 1 EIAF O[C@@H](c1cc2ccccc2[nH]1)C1(c2cccnc2)SCCCS1 5939966 MTRFKEHYLUTZOG-KRWDZBQOSA-N 342.489 4.319 0 1 EIAF COC(=O)[C@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 13685712 HQTSGSQNNAWJPE-KRWDZBQOSA-N 338.403 4.263 0 1 EIAF CS[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26738701 QIDBPLLCKHZLMY-ZKTNYTPDSA-N 327.449 4.500 0 1 EIAF OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccncn1 27425993 OSWJWDLWDGFLRL-UHFFFAOYSA-N 331.202 4.068 0 1 EIAF CCc1nn(CCO)c(CC)c1Oc1ccc(Cl)cc1Cl 34028644 RAXLWUCSQWGNPP-UHFFFAOYSA-N 329.227 4.099 0 1 EIAF COc1cc(/C=C\C(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O 238782873 PKAIECBWQZFYRP-HFCKGRGMSA-N 330.424 4.172 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 586907544 BAMFLOFWSIUMNT-SDBXPKJASA-N 327.197 4.137 0 1 EIAF Cc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1C 587006542 FYXUKDHPXHVMPN-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1ccc2c3c(c4c(nc13)-c1c[nH]nc1CC4)-c1ccccc1C2=O 587097886 UBQDEEMMKZMGKS-UHFFFAOYSA-N 337.382 4.243 0 1 EIAF Cc1cc(C)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587120307 XHBMJAGCMQDPMZ-UHFFFAOYSA-N 348.372 4.322 0 1 EIAF Fc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc(N2CCCC2)n1 587177181 BMQQNWWLLKZBTK-UHFFFAOYSA-N 334.757 4.157 0 1 EIAF CCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 587274087 SIMOSDCWZLVDSZ-UHFFFAOYSA-N 340.217 4.236 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1C)O2 587375015 BCUNHHGLHFLMEW-INIZCTEOSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3c(F)ccc(F)c31)O2 587388025 ZEYDIXWIQMDCHC-SFHVURJKSA-N 347.386 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1c1ccccc1n3C)O2 587391673 TUWZSCMWBGMNMY-QFIPXVFZSA-N 346.430 4.266 0 1 EIAF CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Cl 587419433 DCOHYYLGLHRSFG-AUUYWEPGSA-N 328.795 4.400 0 1 EIAF C[C@@H](O)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529804 DSMWYSBDZRZOSP-SPLOXXLWSA-N 336.431 4.195 0 1 EIAF CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1Cl 587632926 NWUZFSASPNBIKO-UHFFFAOYSA-N 345.757 4.368 0 1 EIAF Cc1cnccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587772660 FOQSEIHQIXLEMM-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2)c1 587932085 LFPPSYWPTJLGKL-UHFFFAOYSA-N 332.359 4.317 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(O)cc4[nH]3)c2)c1 587932419 DZKXFVYMRNOTJM-UHFFFAOYSA-N 332.359 4.317 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C)nc3[nH]2)cc1 587937186 NZCVDLVYCHKYFZ-LJQANCHMSA-N 329.403 4.455 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587951939 KGWIZWTXNWODAZ-GMXABZIVSA-N 334.391 4.447 0 1 EIAF COc1cccc(-c2cc3c(N=c4cc[nH]c(C)c4)nccc3[nH]2)c1 618012532 NPYSXVLDIXEMFM-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCCc3oc(C)cc31)N(C(C)C)CC2 962093961 UOKBXLKWICGPFR-OAQYLSRUSA-N 325.452 4.443 0 1 EIAF CC/C(C)=C(/N)C[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962373401 LSXRCOVWVFYPLD-POLXVDLBSA-N 343.540 4.393 0 1 EIAF c1ccn2c(NC3CCCCC3)c(-c3ccc4nccn4c3)nc2c1 1857534955 OTVQPQOXTVSEPD-UHFFFAOYSA-N 331.423 4.394 0 1 EIAF Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccccn3)c2)cc1 1857602719 MPESFXLASPUIMW-UHFFFAOYSA-N 346.390 4.286 0 1 EIAF COc1ccc(OC)c2c(N3CCCCC3)cc(C(F)(F)F)nc12 92787 NVDZMDOZLPOTDY-UHFFFAOYSA-N 340.345 4.261 0 1 EIAF C[C@]12CC[C@H](CC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 3849770 DGNCIMCPMIGWCU-MVOJFTAWSA-N 334.500 4.481 0 1 EIAF biogenic CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(SC)c1 8300169 UICDRBFKZMYNMQ-OFQRWUPVSA-N 334.485 4.077 0 1 EIAF biogenic CC(C)=CCc1c(O)cc(O)c(C(=O)CCc2ccccc2)c1O 14652512 PFRVXBMLBGFRRU-UHFFFAOYSA-N 326.392 4.128 0 1 EIAF biogenic CO[C@@H]1OC2=CC3=CCC[C@H](C)[C@@]3(C)[C@@H](OC(=O)C(C)C)C2=C1C 15159828 HGVIISJALNTGLG-TVJWEXTRSA-N 332.440 4.134 0 1 EIAF biogenic O=C(O)[C@@H]1Cc2cc(Cc3cccs3)c(Cl)c(Cl)c2O1 27991108 UPSZYRSIIIRPCZ-JTQLQIEISA-N 329.204 4.034 0 1 EIAF COc1ccc(-c2c(-c3ccccc3)nc3n2CCS3)cc1OC 34079700 PZQUPRBQIGPICX-UHFFFAOYSA-N 338.432 4.340 0 1 EIAF Nc1nc2c(c(Nc3ccc(F)c(Cl)c3)n1)-c1ccccc1C2 59111543 GTLDVWXJAMGWRF-UHFFFAOYSA-N 326.762 4.166 0 1 EIAF Cc1ccnc(SC(F)(F)c2nc3cccc(Cl)c3o2)n1 73167392 NIEUCOHYANDMGW-UHFFFAOYSA-N 327.743 4.421 0 1 EIAF c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)ccn1 100093366 JAONVPPHLACSCW-NUNAXRQHSA-N 347.506 4.069 0 1 EIAF CC[C@@H]1SC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1 168429499 RXVUEOXZINRYSZ-HNNXBMFYSA-N 337.404 4.434 0 1 EIAF CC1(C)CCC[C@@]2(C)[C@H]1C[C@@H]1O[C@]1(C)[C@]21CC[C@@](C)(CC(=O)O)O1 238746838 CMOXPNCOCAKUIY-LMYCGTSZSA-N 336.472 4.163 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 586907542 BAMFLOFWSIUMNT-OQPBUACISA-N 327.197 4.137 0 1 EIAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1OC 587110245 XJXYEBQCMVFCEZ-UHFFFAOYSA-N 340.276 4.405 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cc(C)cc1-n1cccn1)O2 587390068 FTKLOAHMZAXDGU-IBGZPJMESA-N 347.418 4.086 0 1 EIAF O=C1C[C@H](c2nc(Cl)ccc2F)Oc2c1ccc1c2CCCC1 587507937 WGJNQVWGMXGTPS-OAHLLOKOSA-N 331.774 4.459 0 1 EIAF CC(C)(C)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587513631 DHVPYJUSFBBXRL-SFHVURJKSA-N 336.435 4.359 0 1 EIAF C[C@H]1CC(C)(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587524771 MTVIYWFXCAMINX-ZSEKCTLFSA-N 326.436 4.295 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(C)cc2[nH]1 587926515 HXMGEJMIUFTVSE-AWEZNQCLSA-N 340.423 4.439 0 1 EIAF COc1ccc2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 653762356 HJMXLPZCINEHEH-UHFFFAOYSA-N 335.335 4.324 0 1 EIAF C/C=C/CC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 653851003 RDVSMDUHDAFGOJ-BYPNVWOASA-N 346.423 4.189 0 1 EIAF O=C(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1)C(F)(F)F 1857633032 OZWFCXNZPBOPBV-OWOJBTEDSA-N 335.281 4.087 0 1 EIAF CC1=C[C@H](O)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1 2356426139 QLVPTADECVIDJG-JLEOBMEESA-N 330.424 4.017 0 1 EIAF CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@@H]1CC[C@H](C)CC(=O)O)[C@@H]23 2356636161 XJCVTENZYOPEPX-GKOMEGGTSA-N 334.456 4.192 0 1 EIAF Cc1nccc2c1[nH]c1cc(OCC(=O)OCc3ccccc3)ccc12 13587096 MHULKMWBCSTZRZ-UHFFFAOYSA-N 346.386 4.147 0 1 EIAF CCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C 13742255 TWQRIYJFYRLOJM-UHFFFAOYSA-N 336.391 4.077 0 1 EIAF O=C1Oc2ccc(C(=O)c3cccs3)cc2/C1=C/c1ccccc1 29403101 DUULZTKQNSDDHY-WJDWOHSUSA-N 332.380 4.439 0 1 EIAF CCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308654 IALGVABNIXIPEW-QEJZJMRPSA-N 332.465 4.448 0 1 EIAF CC(C)(C)c1cccc(OC[C@H]2CN(c3ccccc3)C(=O)O2)c1 49783956 MBUPZOYXYDXALG-GOSISDBHSA-N 325.408 4.388 0 1 EIAF COc1ccc(C(=O)N2c3ccccc3S(=O)c3ccccc32)cc1 72107093 OQSCMDFNSUESIV-UHFFFAOYSA-N 349.411 4.154 0 1 EIAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)cc32)cc1 72112121 QNWNGELPPXWVDV-UHFFFAOYSA-N 339.782 4.402 0 1 EIAF COc1cc(C(=O)c2ccc(-c3ccccc3)o2)cc(OC)c1OC 72118040 KHGPTPLQUIRUJC-UHFFFAOYSA-N 338.359 4.203 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(F)cc1 82141159 SAKXLHFPANWILX-QWHCGFSZSA-N 344.434 4.021 0 1 EIAF C=CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(OC)cc2)OC1 82157850 JMQHFHMXCNSENE-HXUWFJFHSA-N 335.403 4.196 0 1 EIAF O=C(O)Cn1c2ccccc2c2cc(C(=O)Nc3ccccc3)ccc21 96271110 NCXKHBBFXWXDRO-UHFFFAOYSA-N 344.370 4.131 0 1 EIAF COC(=O)c1cc2c(o1)c1ccccc1n2Cc1cccc(OC)c1 96917746 OYLZIKSWXRRZBJ-UHFFFAOYSA-N 335.359 4.231 0 1 EIAF COc1cc2c(cc1[C@H](C)NC(=O)c1ccccc1)C=CC(C)(C)O2 96932036 OPMQCHAYTKQVGD-AWEZNQCLSA-N 337.419 4.370 0 1 EIAF COc1ccc([C@@H](OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1 100738005 AFWLTZMAQCSANY-IPJJNNNSSA-N 337.463 4.426 0 1 EIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CCCC1 115791207 KSNIZNDDSPXXGX-NQIIRXRSSA-N 327.468 4.023 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)NC2 198406357 BCROKGFCTYMFLN-VIFPVBQESA-N 343.477 4.017 0 1 EIAF Cc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1 587044204 RSWHBDUCJQLDMQ-UHFFFAOYSA-N 343.477 4.324 0 1 EIAF Cc1cnc2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 587065488 QPODHUBWMOSJCV-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1F 587110049 QYVUNRSIODKAHS-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF Cc1cc(Cl)cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587157802 UBQJZVUMJZYOQH-SFHVURJKSA-N 343.789 4.455 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 587175896 JLNXNMFFQCOBCL-UHFFFAOYSA-N 329.684 4.360 0 1 EIAF CCOC(=O)CCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587211733 KIZMAZQSXLIVQV-UHFFFAOYSA-N 347.414 4.332 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(C)c4ncccc14)[C@@H](C2)C3=O 587436387 PRLHDOUUKNNASV-HRAATJIYSA-N 331.371 4.041 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)cc1Cl)CC2=O 587459964 FHHLAEWKCVCSSH-IBGZPJMESA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1C)CC2=O 587463285 VEVAUJVYQVESDL-QGZVFWFLSA-N 331.799 4.408 0 1 EIAF CCCC[C@]1(CC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587481542 NCXSXIASMZDQLO-HXUWFJFHSA-N 348.439 4.192 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1csc(C3CC3)n1)CC2=O 587498147 YYZJZGGBWAXLMC-MRXNPFEDSA-N 329.421 4.385 0 1 EIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1 587507108 ANEHBSZPWKEGMM-OAQYLSRUSA-N 337.419 4.037 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccn1 587623940 UFUHWQSWIIIAKB-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF CCSCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587841953 CRNNBGUPJNSCCQ-XPTSAGLGSA-N 332.282 4.307 0 1 EIAF COc1cc(N)c(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 587922210 MWGDVHBBPCBQET-UHFFFAOYSA-N 348.374 4.355 0 1 EIAF COc1ccc(C2(c3nc4ccnc(OC)c4[nH]3)CC3(CCC3)C2)cc1 587934569 DAUCFAYKZATJNM-UHFFFAOYSA-N 349.434 4.225 0 1 EIAF O=C(CCc1ccccc1)c1nc2c(F)c(Br)ccc2[nH]1 587953703 QVOLLXDSKOUNJI-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF Cn1cc(-c2cnc3cnc(-c4cc5ccccc5s4)cn23)cn1 653763873 POBRYQDAOWBEPS-UHFFFAOYSA-N 331.404 4.012 0 1 EIAF CCC(=O)N(C[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 653777894 PDBBHFKTVSXHEW-OAQYLSRUSA-N 336.479 4.484 0 1 EIAF COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C=O 1772658164 WUFHVPIYYSZCSV-UHFFFAOYSA-N 333.387 4.457 0 1 EIAF Brc1ccc(/C(=C\c2ccccc2)Cn2ccnn2)cc1 1857605515 CRLOPYMQZPJDRE-VBKFSLOCSA-N 340.224 4.281 0 1 EIAF COc1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cc1 61905458 KYLNPEZVLVRFOH-SFHVURJKSA-N 329.396 4.214 0 3 EIAF Clc1ccc(CCN2CCC[C@H]2CN2CCCC2)cc1Cl 22935736 KLIHGCYEZYMBSX-HNNXBMFYSA-N 327.299 4.096 0 1 EIAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1cccs1 64548948 ITFVYQQNOAXXPV-SFHVURJKSA-N 343.354 4.018 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060936 QVIXLSYROOSFHA-OWZKRDHZSA-N 342.433 4.269 0 1 EIAF c1ccc(Oc2cccc(NCc3nc(-c4ccncc4)n[nH]3)c2)cc1 219036157 RSCLSNKPENXWDW-UHFFFAOYSA-N 343.390 4.271 0 1 EIAF CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@@H](C(C)C)[C@H]1c1ccco1 299847943 TWQXBWZOUPOFDV-MJXNMMHHSA-N 329.396 4.139 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587043349 PTOFNVKLKGLYIS-MRXNPFEDSA-N 339.464 4.336 0 1 EIAF CCN1C(=O)C[C@@H](c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1Cl 587061018 HLRASFVDRSVQMZ-ACJLOTCBSA-N 339.826 4.293 0 1 EIAF Cc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587061790 YUPSMSKSOZZTIB-UHFFFAOYSA-N 335.798 4.061 0 1 EIAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ncc[nH]c-4n3)c2)c1 587072620 ZKXOQYHPGRTRKY-UHFFFAOYSA-N 342.189 4.340 0 1 EIAF Cc1ccc(/C=C/c2nc3cc(Br)ncc3[nH]2)cc1F 587146855 YNLXTGXSFDEBQK-SNAWJCMRSA-N 332.176 4.338 0 1 EIAF Cc1c(Cl)ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587161994 GHGKPAJYQUVBQD-UHFFFAOYSA-N 331.778 4.235 0 1 EIAF Cc1cc(Cl)cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587172852 NKOQUJUGJRWXMB-SFHVURJKSA-N 344.773 4.292 0 1 EIAF C[C@@]1(c2nc3cc(Cl)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174519 QFOJJMBEVJHUBR-KRWDZBQOSA-N 348.736 4.123 0 1 EIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1nc3cccc4c3c(c1C2)CC4 587213491 WHRNJCWYPWITOK-GUYCJALGSA-N 336.435 4.330 0 1 EIAF Cc1ccc(NC2(c3nc4nc(Cl)c[nH]c-4n3)CCCC2)cc1 587236548 ALSOSGBSPGYLMU-UHFFFAOYSA-N 327.819 4.148 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccnc3)c1)O2 587395920 WBQDIUPUXOWECR-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587431709 QMTBMTDLROTNCW-QVKFZJNVSA-N 333.387 4.159 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1C)CC2=O 587461286 LXDJEXSSZMAZBK-MRXNPFEDSA-N 331.799 4.408 0 1 EIAF C[C@]1(c2ncc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508021 XQAIKFHUHSWLOV-LJQANCHMSA-N 329.346 4.119 0 1 EIAF Cn1cc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 587518060 ZRSUXRREZYVPRV-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF CCCCC[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587525896 VYDXRABZHWIHPZ-OAQYLSRUSA-N 344.451 4.413 0 1 EIAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-n2cncn2)c(F)c1 587629408 ONWYNBSDXURTJS-UHFFFAOYSA-N 348.715 4.486 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C)C(F)(F)F)N1 587708260 AGWVPKIWTPOOJG-NQYJQULFSA-N 340.158 4.362 0 1 EIAF CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587769360 FXIKFPBZTCGPEA-BMLIUANNSA-N 349.247 4.169 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1cc(F)cc(F)c1 587870427 HVTINBXOMIWEAV-UHFFFAOYSA-N 345.324 4.240 0 1 EIAF COc1ccc(C(=O)CC(=O)c2ccc(OC(F)(F)F)cc2)cc1 1857558154 NSTAYRJSURZRIR-UHFFFAOYSA-N 338.281 4.050 0 1 EIAF Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc32)cn1 1857577789 HRQCIFQHCZNSOV-UHFFFAOYSA-N 338.773 4.334 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)C2=O 13302486 LSXXATUHWQXQII-LMNJBCLMSA-N 346.467 4.165 0 1 EIAF biogenic CCN1CCC(N2C(=O)Nc3ccccc3[C@@H]2c2ccccc2)CC1 13553573 OYFUCXROJCWGEW-FQEVSTJZSA-N 335.451 4.108 0 1 EIAF CN(C)C1(c2cccc(O)c2)CCC(O)(CCc2ccccc2)CC1 27093844 LKOBGPQQOAMVIM-UHFFFAOYSA-N 339.479 4.087 0 1 EIAF CN1CCC[C@H]1COc1cncc(-c2ccc(C(F)(F)F)cc2)c1 27718556 WXEDGBSZMMZYIH-INIZCTEOSA-N 336.357 4.240 0 1 EIAF CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 28526346 RBIGSFOWRDPPKF-UHFFFAOYSA-N 340.511 4.357 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 38159541 IAPLTZHXXFXFMM-APLWCEOHSA-N 328.452 4.479 0 1 EIAF Cc1cc(C(=O)c2ccc(F)cc2)ccc1OCCN1CCCCC1 45506531 YEBABGBPTLFFHA-UHFFFAOYSA-N 341.426 4.230 0 1 EIAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C)cc4c3)n2)c1 144180820 CZGSZYSZNVHYDQ-UHFFFAOYSA-N 331.379 4.081 0 1 EIAF C[C@H]1CCc2sc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2C1 587033128 DKUVXKBMXCAFNY-FVMDXXJSSA-N 326.425 4.140 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036860 OLKPMBZZLQLZJG-NSHDSACASA-N 341.383 4.417 0 1 EIAF Cc1c(Cl)ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587071050 VIAUBDSFDDGYPQ-LBPRGKRZSA-N 334.250 4.463 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4c(Cl)ccnc4[nH]3)cc2[nH]1 587120587 PSKJCVUMOVBANU-UHFFFAOYSA-N 337.692 4.173 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Cl)cc1Cl)O2 587377379 HDTHOXUJYIVXEI-INIZCTEOSA-N 337.206 4.160 0 1 EIAF COC(=O)CCCCCCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587399594 LYPMWMHAGGXZCI-HNNXBMFYSA-N 347.455 4.205 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1coc(-c4ccc(C)cc4)n1)[C@@H](C2)C3=O 587437012 VKYXPARTZBPYHW-MGPUTAFESA-N 347.370 4.147 0 1 EIAF O=C1C[C@]2(CCCN(C3CCCC3)C2)Oc2c1ccc1c2CCCC1 587512820 FVEASYHSUQLNGO-QFIPXVFZSA-N 339.479 4.308 0 1 EIAF CC[C@@]1(CSC)N[C@H](C)Cc2ccc(F)c(Br)c21 587845528 NDNJFXSYIQAYQI-OTYXRUKQSA-N 332.282 4.091 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4c(C)nccc4[nH]3)c2)c1 587931560 AQQUHKXZMJFZOI-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587932283 RVKDIVZXZCAXBQ-SNVBAGLBSA-N 335.329 4.332 0 1 EIAF Cc1cc2c(cc1F)[C@@](C)(c1sc(NC(C)C)nc1C)NCC2 962089067 FSYRBNWHFPSLQR-SFHVURJKSA-N 333.476 4.129 0 1 EIAF Oc1ccc2c(c1)CC[C@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963108390 NZAHGHRCSAOQQQ-GOSISDBHSA-N 334.246 4.229 0 1 EIAF Nc1nc(N)c2c3c(Sc4ccc(Cl)cc4)cccc3nc-2[nH]1 1772618525 JXOABOHWBCZGNI-UHFFFAOYSA-N 341.827 4.032 0 1 EIAF Cc1ccc(CNC(=O)c2ccccc2-n2cc3ccccc3n2)cc1 1772641665 GYEFMBQTDZJCST-UHFFFAOYSA-N 341.414 4.264 0 1 EIAF Nc1ccccc1NC(=O)c1ccc(COc2ccc(F)cc2)cc1 1772653844 COJZKPBXSMNSKG-UHFFFAOYSA-N 336.366 4.239 0 1 EIAF CCCCCC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 1857765588 PDNWENBZEKZTOH-MRXNPFEDSA-N 342.270 4.443 0 1 EIAF CN(C)Cc1ccccc1-c1cccc(OCCN2CCCCC2)c1 1857766295 QPYQOROYFGTEMI-UHFFFAOYSA-N 338.495 4.280 0 1 EIAF O=C1OC[C@H]2CCN(Cc3ccccc3Cl)Cc3ccccc3N12 2356416703 CAWPYNVENVSHBY-MRXNPFEDSA-N 342.826 4.071 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 2356437011 CVAKRAZZOFTNQL-IDLUEMFASA-N 330.424 4.257 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@@H](C)O)=CC[C@H]32)C1 2356446079 XGTRFWNUPBJUPH-MOGBJQQBSA-N 329.528 4.454 0 1 EIAF CC(C)C1=C(O)C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O 2356584559 IUGOAYHOVCGSAZ-YRYMLKIGSA-N 334.456 4.063 0 1 EIAF CC[C@H](COc1cccc(Cl)c1)OC(=O)NCc1ccccc1 34620626 VXYOTZUIGVHQPQ-MRXNPFEDSA-N 333.815 4.424 0 1 EIAF Cn1c([C@H]2COc3ccccc3O2)nc2cc(-c3ccncc3)ccc21 49070854 YUZJRALYLDHKLP-HXUWFJFHSA-N 343.386 4.148 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1cncnc1)c1ccc(Cl)cc1F 72141455 BARDOQOZPQZBAZ-QGZVFWFLSA-N 349.192 4.207 0 1 EIAF NC(=O)c1cccc(-n2ncc3cc(Nc4ccccc4F)ccc32)c1 96906423 LUZNKSCCMSULRH-UHFFFAOYSA-N 346.365 4.007 0 1 EIAF c1cc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)c2ccsc2c1 114824547 LOUMDQLKJNIXQB-OALUTQOASA-N 345.508 4.104 0 1 EIAF CCCN(CCC)C(=O)/C=C/c1cccc2cc3c(cc12)OCO3 169349637 MBFRELWSVPQGNC-CMDGGOBGSA-N 325.408 4.230 0 1 EIAF CCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2 210432385 RJSAZDFVYLKJQV-KRWDZBQOSA-N 343.492 4.460 0 1 EIAF C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@H]1C[C@H]2CC[C@H]1C2 261119751 JJDFSKYVEMOTAE-CZKCSJLSSA-N 329.532 4.137 0 1 EIAF Cc1c(O)c(=O)ccn1-c1ccc(-c2nc3ccccc3s2)cc1 473096464 ZEFNBJQJLBUTSK-UHFFFAOYSA-N 334.400 4.128 0 1 EIAF Fc1cc(F)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587002450 FYDUBASZQTXLRM-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(CCO)cc2[nH]1 587061206 CMTCPMDDVXXJBP-MRXNPFEDSA-N 330.815 4.281 0 1 EIAF FC(F)(F)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587118342 LWFBLNDHNYODBO-UHFFFAOYSA-N 348.250 4.040 0 1 EIAF C[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C 587191564 MJUXOFLICHWQSG-ZETCQYMHSA-N 339.283 4.093 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc32)[C@@H]1c1ccc(F)cc1 587350689 HZCCWQHNACWVEJ-IRLDBZIGSA-N 346.357 4.342 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3C=CC[C@@H]32)[C@@H]1c1ccc(F)cc1 587353369 OWPIZFGWNDGDTL-WVCOCCBZSA-N 336.362 4.225 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)n(C)c3ccccc13)O2 587379307 HUBFEEOUPUGWRS-MRXNPFEDSA-N 340.810 4.429 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(C)(C)c1ccc(F)cc1)O2 587385064 RBYUEUFTXBGDNE-FQEVSTJZSA-N 327.399 4.418 0 1 EIAF CCn1ccc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587430865 KXMGWSSQUQBXKS-IERDGZPVSA-N 333.387 4.159 0 1 EIAF COC[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793898 OEVPJPUUPMKYAD-BZNIZROVSA-N 344.268 4.010 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)cc2)N1 587820547 PXGFBSSUVIIKLE-BTDLBPIBSA-N 348.215 4.024 0 1 EIAF COc1cccc([C@H](C)Nc2cc(-c3ccnc(C)c3)nc(C)n2)c1 653763856 DOTMHLBWIWMGBW-AWEZNQCLSA-N 334.423 4.337 0 1 EIAF OCc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)cnc2cn1 1857577259 XJVIQFSGUBQBHO-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF O=C(O)c1cccc(/C=C/c2ccc3cc(O)c(C(=O)O)cc3c2)c1 1857581015 VAGJZEYJEXAKKE-SNAWJCMRSA-N 334.327 4.112 0 1 EIAF O=C(c1noc2c1CCc1ccccc1-2)N1CCCc2ccccc21 2465948 LGFUURIRYOCCRM-UHFFFAOYSA-N 330.387 4.033 0 3 EIAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccc(F)cc1 10081 PTSBLEVOZNXZRN-UHFFFAOYSA-N 349.390 4.047 0 1 EIAF CCOC(=O)c1cn(-c2ccccc2)c(=S)n2c1nc1ccccc12 1862318 DUGHEVHYXNELJE-UHFFFAOYSA-N 349.415 4.184 0 1 EIAF CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 3955323 VVCINSRJONWLMI-GJZGRUSLSA-N 348.450 4.000 0 1 EIAF Cc1cc(C)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]1 5891914 WLRKCGBECWLZJJ-UHFFFAOYSA-N 338.194 4.052 0 1 EIAF O=C(O)c1cc2c(cc1O)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC2 34893475 SXSWWKXSPAYACR-UHFFFAOYSA-N 347.292 4.356 0 1 EIAF Clc1ccc([C@]23CNC[C@H]2[C@@H]3COC2CCCC2)cc1Cl 45366513 ONSLZFSSJGOMSK-GRDNDAEWSA-N 326.267 4.040 0 1 EIAF O=C1O[C@H](COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1 49113369 BIZBKGBTDMATHV-HNNXBMFYSA-N 337.297 4.110 0 1 EIAF CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OC)c1 72283556 PBUPVJKGKCTUGD-UHFFFAOYSA-N 325.412 4.061 0 1 EIAF Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2C(C)C)cc1Cl 82191541 NPJKTSXCCHHWGK-UHFFFAOYSA-N 342.830 4.422 0 1 EIAF c1ccc2c(c1)CN(CCN1[C@@H]3CC[C@@H]1c1c([nH]c4ccccc14)C3)C2 100753570 CTQHCPZZSHQSPL-XMSQKQJNSA-N 343.474 4.245 0 1 EIAF COc1cc2cncc(Cc3cnc4ccccc4c3)c2cc1OC 145116540 JQYGIJFYZZVSDE-UHFFFAOYSA-N 330.387 4.391 0 1 EIAF COc1ccc(/C=C/C(=O)O)cc1C/C=C(\CO)CCC=C(C)C 238764421 SIABBCBJPCFCLL-SFORLKPPSA-N 330.424 4.001 0 1 EIAF C[C@@]12CC[C@@H]3[C@H](CC=C4CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C[C@@H]1CN1 253645683 MFWABCGQFDBVQU-XTSDFBPXSA-N 327.512 4.496 0 1 EIAF Cc1ccc(-c2[nH]c3nc(N)nc(O)c3c2-c2ccc(C)cc2)cc1 299829776 SDWVATZVOOZZHD-UHFFFAOYSA-N 330.391 4.197 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586897933 AGSOOZJSUVRCIE-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 586962064 NZLRPFMSWFTUIZ-LBPRGKRZSA-N 326.421 4.329 0 1 EIAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587086164 VFVXIEFOZQCHPH-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF Cc1ccc(CCc2nc3cc(C)c(Br)cc3[nH]2)cc1N 587250840 QINQVLJIGXHJDG-UHFFFAOYSA-N 344.256 4.310 0 1 EIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587372788 AOZDRRUGNKDRIB-SFHVURJKSA-N 331.799 4.120 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(Cl)cc3[nH]1)O2 587378921 FQKNTYYTBLCWEH-QGZVFWFLSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(F)(F)F)c1)O2 587381968 JJKVHNANCNQQIX-OAHLLOKOSA-N 337.297 4.182 0 1 EIAF COc1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C 587400358 RCPFGCDIBSWKJJ-GOSISDBHSA-N 325.408 4.218 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O 587436314 NONKXPPHBHVAKK-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCSc4ccc(C)cc41)[C@@H](C2)C3=O 587452345 MCFHMCYRRIKLQM-YWZLYKJASA-N 338.428 4.142 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)s1)CC2=O 587495153 PGLCCGOJBOQKFI-HNNXBMFYSA-N 331.437 4.179 0 1 EIAF CCCC(=O)O[C@@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587520516 DNNOURYDFZXTMN-RNODOKPDSA-N 330.424 4.021 0 1 EIAF COC(=O)[C@H]1CCC[C@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587522115 FADKIXBZGCDALJ-BTYIYWSLSA-N 342.435 4.023 0 1 EIAF COc1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587523498 JIFQINSWNPVWBO-QFIPXVFZSA-N 334.415 4.381 0 1 EIAF Cc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587535222 JOMKYGSKXVPBBQ-GOSISDBHSA-N 336.387 4.309 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587786555 RPJRTSQDKWRJGY-JKSUJKDBSA-N 343.386 4.055 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2ccccc2[nH]1 587872334 JZWHDBCDRQAEPR-UHFFFAOYSA-N 349.365 4.258 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3ccccc3F)n1)O2 587873685 GYXJBGCZBMIDDB-UHFFFAOYSA-N 329.331 4.179 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4ccnc(OC)c4[nH]3)ccc2c1 587934012 DZJSYOBKXMNIHB-GFCCVEGCSA-N 333.391 4.280 0 1 EIAF O=NC[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962705157 KGCSRCQOTQEIHN-IBGZPJMESA-N 338.432 4.409 0 1 EIAF CCc1ccc2c(c1)[C@@]1(CCO2)c2c(F)cccc2C[C@H]2CCCN21 963094214 BTPXWKTURKWOSD-VGSWGCGISA-N 337.438 4.435 0 1 EIAF Cc1cc(Cl)ccc1-n1c(CF)nc2cccc(Cl)c2c1=O 1849020 WXTYULHXNBOFOX-UHFFFAOYSA-N 337.181 4.470 0 1 EIAF Cc1ccc([C@@H](NC(c2ccccc2)c2ccccc2)C(=O)O)cc1 12998209 QGWNPKWHKJDFQP-OAQYLSRUSA-N 331.415 4.500 0 1 EIAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@H]1C(C)(C)CCC[C@]21C 13483222 QAIIXQJPXUSTBS-QKKBWIMNSA-N 344.451 4.144 0 1 EIAF biogenic Cc1coc2c1C[C@]1(C)[C@@H](C)CCC[C@]1(OC(=O)CC(C)C)C2=O 14453014 VQTCRCOTOAXTFE-KPOBHBOGSA-N 332.440 4.481 0 1 EIAF biogenic O=C(/C=C/c1ccc2ccccc2c1)Nc1ccc2c(c1)OCCO2 28863787 FRFDXIQVTXISLG-UXBLZVDNSA-N 331.371 4.263 0 1 EIAF C[C@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCCO1 34801178 OHOUPBLLXCZHSW-UTPYACJESA-N 331.500 4.057 0 1 EIAF CC[C@@H](c1nc(SC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F 72114836 OKMOPFLUSSYZEI-LLVKDONJSA-N 338.423 4.399 0 1 EIAF COc1ccccc1Oc1ncccc1C(=N)NC1CCCCC1 72184054 SBSHHWCZZDIOSL-UHFFFAOYSA-N 325.412 4.130 0 1 EIAF CN(CCc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2)s1 95582371 CFQHYXOACOQLLT-UHFFFAOYSA-N 337.444 4.435 0 1 EIAF C[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(F)c1 165391084 BZMYCBISXGQOME-LLVKDONJSA-N 342.399 4.227 0 1 EIAF C[C@H]1[C@H]2CC[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32CN1C 255200736 BPUXHYZWGGQDPC-ZXBCZPHBSA-N 331.544 4.320 0 1 EIAF COc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1OC 587106722 KYWVPALUSPMCJA-UHFFFAOYSA-N 336.313 4.190 0 1 EIAF Oc1nccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587123027 AUMQLWMWIDXZPG-UTCJRWHESA-N 337.326 4.446 0 1 EIAF CSc1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587156903 AZIROKGZDIRIKL-UHFFFAOYSA-N 338.205 4.248 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3cccnc13)O2 587379739 WNTZRNRUKDWCDO-INIZCTEOSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)[nH]c3cccc(Cl)c13)O2 587380977 ZCPLLWZELQFRJP-AWEZNQCLSA-N 342.782 4.124 0 1 EIAF C[C@@]1(c2c[nH]c3cccnc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526450 RMGKRRHMMBXKBO-NRFANRHFSA-N 332.403 4.322 0 1 EIAF C/C=C/CC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527622 YEZZVRFVXKSDIZ-YEFOHOTDSA-N 342.435 4.189 0 1 EIAF COc1cc2c(cc1OC)[C@]1(CCCc3sccc31)N(C)[C@H](C)C2 962632071 OMANKJNVCAWULQ-ZUOKHONESA-N 343.492 4.222 0 1 EIAF Oc1ccc2c(c1)[C@@]1(CCc3cc(Cl)cc(Cl)c3C1)NCC2 963329349 MKVOISSPPIBMRB-SFHVURJKSA-N 334.246 4.229 0 1 EIAF COc1cc2cc([C@H](O)c3ccc4ncccc4c3)oc2cc1OC 1772574418 HYEKSHMWFIUPRD-HXUWFJFHSA-N 335.359 4.080 0 1 EIAF COc1cccc(CN(C)C(=O)c2cc3cc(OC)ccc3s2)c1 1772577547 GODZRDHWODCUDT-UHFFFAOYSA-N 341.432 4.191 0 1 EIAF COc1ccccc1[C@H](C)NC[C@@H]1C[C@H]1c1cc(F)ccc1OC 1772583662 BONWNEKKSLDYSH-GRDNDAEWSA-N 329.415 4.297 0 1 EIAF Cc1nc(-c2ccccc2)c(NC(=O)Nc2cnc3ccccn23)s1 1857555283 VCNVRPWROCPTKB-UHFFFAOYSA-N 349.419 4.410 0 1 EIAF Nc1cccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c12 1857593265 QUPDXQYPJKTRQZ-UHFFFAOYSA-N 340.430 4.375 0 1 EIAF CCC(=O)c1cc(C)c2c(c1)C(=O)[C@](C)(C=C(C)[C@@H](O)[C@@H](C)CC)O2 2356676380 RTTRWDZCXCRSLT-OELQTJDKSA-N 344.451 4.275 0 1 EIAF CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@@H](C)C[C@H]21 4125126 ADNNEGQOWCOQPG-ZYTIYSBBSA-N 336.516 4.258 0 1 EIAF C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)CO)CCCC(C)(C)O 14655214 AKXRSPSASWQOHJ-FHMALFGCSA-N 328.537 4.451 0 1 EIAF CC(C)[C@@]1(C)SC(N[C@@H](C)c2cccc(C(F)(F)F)c2)=NC1=O 14953733 YZSCZYQSGGKTNN-ZUZCIYMTSA-N 344.402 4.400 0 1 EIAF CCOC(=O)/C(C)=C\c1ccc(Cc2cccnc2)n1CC(C)(C)C 28011216 HHTADEQQTAXOJV-VBKFSLOCSA-N 340.467 4.486 0 1 EIAF CC(C)OC(=O)CCCc1ccc2c(c1)C(=O)c1ccccc1CO2 39219681 UEJWJYWQVMNCJT-UHFFFAOYSA-N 338.403 4.084 0 1 EIAF COc1cc(O)ccc1/C=C/C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 95909851 CPJMZTUMYSQEGK-SZUIKGGKSA-N 330.424 4.172 0 1 EIAF biogenic,in-vitro CNc1ccc(-c2cc3cc([125I])ccc3[nH]2)cc1 102083600 IZBJTFYZCLADPY-RFLHHMENSA-N 346.188 4.481 0 1 EIAF CC(C)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 113650735 MLIAGIKRWNHSME-UHFFFAOYSA-N 347.827 4.384 0 1 EIAF O=C1OCC(c2ccccc2F)=C1c1ccc(Br)cc1 299835222 MBVAKSXIPSQAGT-UHFFFAOYSA-N 333.156 4.056 0 1 EIAF CN(CCCn1c(=O)sc2ccc(Cl)cc21)Cc1ccccc1 299858926 FESTUWDQOWHVQQ-UHFFFAOYSA-N 346.883 4.239 0 1 EIAF Brc1nccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882708 AGIOOGNAAAVWFJ-DJQAVVSRSA-N 332.245 4.188 0 1 EIAF CC(=O)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586991957 RYURSVGOFXOFOB-UHFFFAOYSA-N 331.371 4.478 0 1 EIAF COc1cc(Cl)ccc1-c1nc2ccc(Br)nc2[nH]1 587066898 VBWGWLVYTXJWQU-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Clc1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232689 ZRWNIAPNMREKEP-UHFFFAOYSA-N 338.798 4.161 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(C)c1)[C@@H](C2)C3=O 587432191 UVFBZOKQLZJUOH-JTSKRJEESA-N 345.398 4.283 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cnc1Cl)CC2=O 587470232 FQKKYRRKYNTYIR-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF Cc1c[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590187 RTSFREVDGCTRJM-NQIIRXRSSA-N 349.386 4.214 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)o2)N1 587706896 SKXSMUVDFVGOGA-JKYUHCHBSA-N 344.611 4.458 0 1 EIAF CCS(=O)(=O)c1ccc2nc(/C=C(\C)C3CCCCC3)[nH]c2c1 587969557 ZITDNYMSHJZIKH-ACCUITESSA-N 332.469 4.340 0 1 EIAF Oc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1F 962709150 NHUZUQDXUUYWJB-YJYMSZOUSA-N 347.430 4.123 0 1 EIAF Cc1ccc(C)c([C@@]2(CCC(=O)O)NCCc3c2sc(C)c3C)c1 963009241 KVHOOYKXJJJYDI-HXUWFJFHSA-N 343.492 4.236 0 1 EIAF O=C1C[C@@H](CNc2nc(-c3cccc(O)c3)cs2)c2ccccc21 1772629038 XGRUBYNCOYYLON-ZDUSSCGKSA-N 336.416 4.298 0 1 EIAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356681671 BPUXHYZWGGQDPC-MDKGJDARSA-N 331.544 4.320 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@@H]1C 2356748606 KLFDWNXGESKDJI-CPUXHMLJSA-N 344.451 4.418 0 1 EIAF COC[C@@H](C/C=C/c1ccc(O)cc1)[C@@H](OC)c1ccc(O)cc1 14761337 PYPQUQKGAGXEHZ-MMHSPLKYSA-N 328.408 4.151 0 1 EIAF biogenic,in-vitro COc1ccc(C[C@@H]2c3c(Cl)cccc3CCN2C)cc1OC 28469801 WPTGMASFGSAOEA-MRXNPFEDSA-N 331.843 4.129 0 1 EIAF CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 28562731 QZOASPWPMMTSJQ-UHFFFAOYSA-N 326.179 4.193 0 1 EIAF Cc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569412 NWQJJKSOJASBHZ-UHFFFAOYSA-N 339.235 4.271 0 1 EIAF C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@@]2(O)C(F)(F)F 29554415 QDKAVLCMWMWTJI-BDXSIMOUSA-N 338.369 4.262 0 1 EIAF COc1cc2c(cc1O)C[C@@H](C)[C@@H](C)[C@@H]2c1ccc(OC)c(OC)c1 43067670 PLNZSVOTOMAFQW-SQHYZVFZSA-N 342.435 4.378 0 1 EIAF CC(C)c1ccc(O[P@](=O)(O)[C@H](N)CCc2ccccc2)cc1 49068668 KZGQPNNWYUTSTQ-SFHVURJKSA-N 333.368 4.292 0 1 EIAF NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(Cl)ccc12 72122995 ZZLDWLCAHCKPNS-UHFFFAOYSA-N 342.830 4.213 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1ccncn1)c1ccccc1Cl 72186127 CFTMABGAAUAWHV-KRWDZBQOSA-N 331.202 4.068 0 1 EIAF CCCCc1ccc(-c2nc(CNCC[C@H]3CCCN3C)co2)cc1 72186399 JQYSHVUSVDJUIR-HXUWFJFHSA-N 341.499 4.258 0 1 EIAF CC(=O)N[C@H](C)C(=O)S[C@@H](C)Cc1ccc(-c2ccccc2)cc1 103183696 XOLFQHMHJUCOAL-LSDHHAIUSA-N 341.476 4.069 0 1 EIAF COc1cc2cncc(Cc3ccc4cccc(O)c4n3)c2cc1OC 145096476 QVAGNUXFNQSRJZ-UHFFFAOYSA-N 346.386 4.097 0 1 EIAF Fc1cc(F)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979620 RXSZVGUZQSIXGZ-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1c(Cl)ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587041775 GCUTZZAPXRNYDQ-GFCCVEGCSA-N 337.876 4.145 0 1 EIAF COc1cc(OC)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587079715 GCDGUXGUIDHVMJ-UHFFFAOYSA-N 341.798 4.237 0 1 EIAF FC(F)(F)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 587113006 NICHQTKZSWWEAU-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF Cc1c(Br)cc2nc(Cc3cc(N)ccc3F)[nH]c2c1C 587140886 HYDWTFHFEGWTGE-UHFFFAOYSA-N 348.219 4.254 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587163319 KIUGNVNHKNSOCV-ZDUSSCGKSA-N 339.201 4.055 0 1 EIAF C[C@@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 587206823 NNIUVLJBSKBWCE-RYUDHWBXSA-N 343.382 4.197 0 1 EIAF CCOC(=O)Cc1nc2cccc3c2c(c1Cc1ccccc1)CC3 587212181 PMVZYCASTFHVPE-UHFFFAOYSA-N 331.415 4.030 0 1 EIAF CCCOc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br 587257626 ICNJIKZAQBSLDI-CYBMUJFWSA-N 340.265 4.160 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(Cl)cc2C[C@@H]1C 587378287 BCIWDPNAJMDKFS-WLRWDXFRSA-N 327.811 4.284 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCC(C(F)(F)F)CC1)O2 587382265 LEMLJIIGLHXEJE-NWHVRFAMSA-N 327.346 4.280 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cccc(N)c21 587388524 DALUOJUAIHHTEW-JOCHJYFZSA-N 342.398 4.049 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(C)o1)(c1ccc(C)o1)O2 587403362 HJRUGEJUTQQDCZ-UHFFFAOYSA-N 337.375 4.289 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cscc1Br)O2 587411077 AUGRYYGFYFXTPI-CYBMUJFWSA-N 338.226 4.108 0 1 EIAF Cc1nc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587496370 BLJTZENBBCNGPY-MRXNPFEDSA-N 328.799 4.024 0 1 EIAF O=C1C[C@@]2(CCOc3cccc(F)c32)Oc2c1ccc1c2CCCC1 587501887 AOHMJVPXWXFQKR-OAQYLSRUSA-N 338.378 4.348 0 1 EIAF Cn1cc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 587517568 PTRAXRVNGCNLMC-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF CCC[C@@]1([C@@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520669 APWSISVWTHWMOO-UWJYYQICSA-N 344.451 4.269 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C=O)N1 587819443 MNWMTOKYSLHPNF-BTDLBPIBSA-N 348.215 4.024 0 1 EIAF COc1ccc(C[C@H](C)c2nc3ccc(F)c(C)c3[nH]2)cc1OC 587926216 LAJRYCALJTWPGN-NSHDSACASA-N 328.387 4.374 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587952312 OPYDASRTSZYXAX-MMPTUQATSA-N 334.391 4.447 0 1 EIAF COC(=O)c1cc2[nH]c(CC3CCC(C)(C)CC3)nc2cc1OC 587963650 PPRQLPHGDQQPIR-UHFFFAOYSA-N 330.428 4.117 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@@H](C)Cc1ccccc1 963046050 ICOJAWPOCTTZMS-YCRPNKLZSA-N 332.447 4.309 0 1 EIAF COc1cc2c(cc1O)CCc1cc(O)ccc1[C@@H]2c1ccc(O)cc1 2356709087 OFYIVOGLJJQHRO-QFIPXVFZSA-N 348.398 4.091 0 1 EIAF CCCCC[C@@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 2356728707 SOCRUGYUGDSRET-KXBFYZLASA-N 348.439 4.413 0 1 EIAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 767775 COOIPXQHCJBQEW-CTNGQTDRSA-N 344.414 4.020 0 1 EIAF CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@@H](C)C[C@@H]21 4125125 ADNNEGQOWCOQPG-NYVAYDKISA-N 336.516 4.258 0 1 EIAF CCCCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O 13586422 URESDUZRUOSGFQ-OAQYLSRUSA-N 336.435 4.214 0 1 EIAF c1csc(-c2cc(-c3cccs3)nc(OC[C@H]3CCCN3)n2)c1 28524751 URUXUYBPJOTPNU-GFCCVEGCSA-N 343.477 4.064 0 1 EIAF CC(=O)Oc1ccc2c(c1)C[C@H](C)n1c-2cc2cc(OC(C)=O)ccc21 29345739 NNXKAJLZJJAFPV-LBPRGKRZSA-N 349.386 4.276 0 1 EIAF COc1cccc2cc(/C=C3\OC(=O)c4c3cc(C)nc4S)oc12 40380250 OXMBUGUKIPZLBV-ZSOIEALJSA-N 339.372 4.102 0 1 EIAF CCn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N[C@@H]1CCCC[C@H]31 49759965 PKEIDYXLROUJLQ-QMTHXVAHSA-N 336.357 4.492 0 1 EIAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1-c1ccc(O)cc1 68245904 JSBOHMYHRMOLNZ-CZUORRHYSA-N 338.403 4.159 0 1 EIAF CCC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 100640881 OPDBPJWZYLLHKS-TZVQQGOTSA-N 344.451 4.141 0 1 EIAF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1 103197823 DRLNNVLXRQCTTO-SFHVURJKSA-N 338.457 4.302 0 1 EIAF Cc1nc(NCCc2cccnc2)cc(-c2ccc3ncsc3c2)n1 142199864 AJZDKCGTGRZMLG-UHFFFAOYSA-N 347.447 4.111 0 1 EIAF C1=C2CCCN(CC3CCCCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 299832759 VRWPUJQAOGQERR-DXBBTUNJSA-N 328.544 4.462 0 1 EIAF Clc1cccc(-c2cc(-c3nc4cnc(Cl)cc4[nH]3)n[nH]2)c1 587067995 FROWNMZKNSEJDQ-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF Cn1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587113736 YINUVSQGDGRPIF-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(N3CCCC3)c1)O2 587382744 UMJIKCJUHVDQTC-LJQANCHMSA-N 340.398 4.023 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)nc1C)O2 587383247 RTVBNYITZDUGTC-AWEZNQCLSA-N 336.313 4.006 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4cccc(Cl)c4C1)[C@@H](C2)C3=O 587420046 GQFLFNJFDFSCGT-MGPUTAFESA-N 340.806 4.024 0 1 EIAF CCn1ccc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cccc21 587430330 GTGXLFNLYVSHJI-IIBYNOLFSA-N 333.387 4.159 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N)c(Cl)c1)CC2=O 587463147 UYQGKHIKSSTPTE-KRWDZBQOSA-N 331.799 4.287 0 1 EIAF CCOc1ccccc1-c1cccc(-c2nc3ccnc(O)c3[nH]2)c1 587779673 CHLVNFUJAAACJS-UHFFFAOYSA-N 331.375 4.396 0 1 EIAF COC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587812884 SIGLPSMDBMDABL-BMIGLBTASA-N 342.252 4.123 0 1 EIAF CCOC(=O)Cc1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1 587956166 YOEGFQKILDDGJD-UHFFFAOYSA-N 336.435 4.303 0 1 EIAF CCCCC[C@@]1(CC2OCCO2)c2c(F)cccc2C[C@@H]2CCCN21 963096717 GELVCWZMVXLCJL-LAUBAEHRSA-N 347.474 4.385 0 1 EIAF O=S1(=O)C=Cc2ccc(Nc3cccc(OC(F)(F)F)c3)cc21 1176540762 MNGBGOWICJFZKW-UHFFFAOYSA-N 341.310 4.087 0 1 EIAF C[C@H](N=c1[nH]c2ccccc2n1Cc1ccccc1)c1nccs1 1857554407 HPICYMVZOYTQBD-AWEZNQCLSA-N 334.448 4.136 0 1 EIAF COc1ccc(-c2cnc3cnc(-c4cccc(C)c4C)cn23)cn1 1857621249 SZSOJKKOKWIKNQ-UHFFFAOYSA-N 330.391 4.084 0 1 EIAF CC(C)c1cc2c(cc1O)C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356541754 YNDIFOCLBVZRHQ-SXLOBPIMSA-N 330.424 4.251 0 1 EIAF CC[C@H](O)[C@@H](O)CC=CCC=CCC=CCC=CCCCC(=O)O 2356546053 XYDVGNAQQFWZEF-OALUTQOASA-N 336.472 4.158 0 1 EIAF COc1ccccc1-c1csc([C@@H](O)c2ccc(F)c(F)c2)n1 61930000 RPGISJQUVMRCNW-INIZCTEOSA-N 333.359 4.179 0 3 EIAF Nc1nnc(-c2ccccc2)c(Nc2ccc(Cl)cc2Cl)n1 3846910 PTUPCHOSUTZWLS-UHFFFAOYSA-N 332.194 4.171 0 1 EIAF biogenic FC(F)(F)c1ccc(Cn2nc(-c3ccccc3)nc2S)cc1 13536794 WGYBOVDXCUMDNH-UHFFFAOYSA-N 335.354 4.301 0 1 EIAF Fc1ccc([C@@H](NCc2ccco2)c2nnc(-c3ccccc3)o2)cc1 21538353 MVCACGJGSDXPGR-GOSISDBHSA-N 349.365 4.348 0 1 EIAF CCOc1cc2ccc(OCCn3ccc4ccccc43)cc2oc1=O 26574315 RPFPVGLIJVNOCS-UHFFFAOYSA-N 349.386 4.225 0 1 EIAF CCOC(=O)c1sc(Nc2cccc(C)c2)nc1-c1ccncc1 45245627 KPWMFVBCJXYGLN-UHFFFAOYSA-N 339.420 4.434 0 1 EIAF CCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1 58590466 CFQGMRIUTGHBCX-UHFFFAOYSA-N 328.408 4.445 0 1 EIAF COc1cccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)c1 82160969 BHSNERVBAKPHRX-UHFFFAOYSA-N 348.450 4.091 0 1 EIAF CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 82177953 YORRRTCRNFMICW-ZDUSSCGKSA-N 327.432 4.200 0 1 EIAF c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140100040 GNSXVNYZIFBAHH-UHFFFAOYSA-N 338.414 4.296 0 1 EIAF Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3CC2)ccc1Br 169718562 PTGNGWQICRHLGX-QWRGUYRKSA-N 346.224 4.490 0 1 EIAF COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1OC 216012326 NKWXFQYOHBYQEJ-UHFFFAOYSA-N 331.755 4.204 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586911919 MZEBNOJWXPAIAP-QFBILLFUSA-N 334.419 4.467 0 1 EIAF Cc1ncc2c(n1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105850 IPMXYZQVLFIZIL-UHFFFAOYSA-N 349.393 4.310 0 1 EIAF CCCCOC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106226 JNQYPPMADOHLAN-UHFFFAOYSA-N 331.371 4.403 0 1 EIAF Clc1ncnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587193061 RFDGPWJQCXXGPX-UHFFFAOYSA-N 349.825 4.213 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cccc(Cl)c3C1)O2 587379997 NNOPLYSIONRJGB-LJQANCHMSA-N 327.811 4.124 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(F)cc1Cl)O2 587381328 HCBCQYDLACXOLL-QGZVFWFLSA-N 337.753 4.389 0 1 EIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)C 587399260 HWWXQGLCEZYPSO-GOSISDBHSA-N 341.407 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(N)cc31)CC2=O 587472837 NEROOJBMBGFIPY-NRFANRHFSA-N 337.419 4.124 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826922 GULVVFLBAQONGZ-XXFAHNHDSA-N 338.220 4.422 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C 587827294 JJDVVFFNMRPCRS-XXFAHNHDSA-N 338.220 4.422 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2)N1 587854626 RGEMNVTURWYWIH-CLAHSXSESA-N 326.234 4.273 0 1 EIAF N=c1ccc(-c2cc(OCc3ccc(Cl)cc3Cl)ccn2)c[nH]1 1857655993 CKTUZGHOVKARGU-UHFFFAOYSA-N 346.217 4.442 0 1 EIAF O=C(NCCNC1CCCCC1)[C@@H](c1ccccc1)C1CCCCC1 26385974 SHMZNQBOXVJZOJ-NRFANRHFSA-N 342.527 4.389 0 1 EIAF CN1CCN([C@@H]2CC[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28013924 CCLCNKBKEJUGFP-GHTZIAJQSA-N 342.433 4.179 0 1 EIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)s2)c1 38223767 SJLQDZDKTVBBLP-CYBMUJFWSA-N 338.432 4.310 0 1 EIAF COc1ccc(-c2ccc3c(c2)CCC[C@]3(O)c2ccncc2)cc1F 40955055 LRECNGBVUUBJSA-QFIPXVFZSA-N 349.405 4.469 0 1 EIAF Cc1[nH]c(C)c(-c2ccc(C(F)(F)F)cc2)c(=O)c1Br 45189988 PXCJCLQETRHLSV-UHFFFAOYSA-N 346.146 4.440 0 1 EIAF CCC(=O)NCC[C@H]1C[C@H](c2ccccc2)Cc2ccc(OC)cc21 45506205 IWNXDLGQZHITSH-RBUKOAKNSA-N 337.463 4.425 0 1 EIAF COc1cc(CCC(=O)CCCCc2ccc(O)cc2)ccc1O 64539139 QUMBVGAYXWDALH-UHFFFAOYSA-N 328.408 4.021 0 1 EIAF biogenic,in-vitro CC1(C)C[C@](NC(=S)Nc2ccccc2)(c2ccccc2)CCO1 72110439 VMBPWLFEXKYGQX-FQEVSTJZSA-N 340.492 4.458 0 1 EIAF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CC(=O)O)cc1 84713470 TZMZAUXZZJBELT-HNNXBMFYSA-N 336.435 4.471 0 1 EIAF O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 95776982 LJRYXMIJFNSUBY-ZROIWOOFSA-N 333.174 4.091 0 1 EIAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 100728728 FGXZPRXFLNGHFB-WSWWRLHASA-N 349.474 4.475 0 1 EIAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 103522874 BHBOKWLDAWLBKQ-XIGQLOAZSA-N 349.814 4.151 0 1 EIAF OCc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3ccccc23)o1 143977521 RZYVNQLSJGXTCU-UHFFFAOYSA-N 338.794 4.490 0 1 EIAF c1ccc(Nc2ccc(Oc3nccnc3-c3cccnc3)cc2)nc1 148023092 HXFKUNCAQXNCPY-UHFFFAOYSA-N 341.374 4.470 0 1 EIAF CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 299849223 ZBTJTYWUOIBBHI-YAQOUWLDSA-N 331.463 4.064 0 1 EIAF O=C(c1cnc(Nc2ccc(O)cc2)s1)c1ccccc1Cl 473128629 DDRVDVPQNAATJT-UHFFFAOYSA-N 330.796 4.477 0 1 EIAF Brc1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587037876 ZUDMNGZZOWZTTA-GFCCVEGCSA-N 349.253 4.243 0 1 EIAF C[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F 587098742 UKWOJASNDUWMRT-VIFPVBQESA-N 334.297 4.432 0 1 EIAF Cn1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C(F)(F)F)c1 587112395 MGQNDUGNTGWOKY-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cncc(Cl)c2[nH]1 587115974 HROIIQLTEINYHE-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF CCc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587125312 RPUWENICTJSVSM-LKFCYVNXSA-N 349.360 4.296 0 1 EIAF N[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587154684 GEHMGFIHQJFIBO-BZNIZROVSA-N 335.304 4.062 0 1 EIAF Fc1ccc2c(c1)C[C@@H](c1nc3cccc(Br)c3[nH]1)O2 587173663 GGEBITLYISNGAK-ZDUSSCGKSA-N 333.160 4.141 0 1 EIAF Cc1cc2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2c(C)n1 587197736 LVLSBKLZGAJQKP-OAHLLOKOSA-N 332.448 4.139 0 1 EIAF CCc1ccccc1NC(=O)c1nc2c(ccc3nc(C)ccc32)[nH]1 587241199 QNIPAOIYMGJAJI-UHFFFAOYSA-N 330.391 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(OC)c1)CC2=O 587475584 AWIBKOARFVNRKR-LJQANCHMSA-N 326.392 4.368 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cc(C)nc(C)c1)CC2=O 587489809 WHFUHNJJXGBTHQ-INIZCTEOSA-N 339.435 4.323 0 1 EIAF O=C1C[C@@H](c2cc(F)ncc2Cl)Oc2c1ccc1c2CCCC1 587508795 QQZUPOMDZKXZJJ-INIZCTEOSA-N 331.774 4.459 0 1 EIAF Nc1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511745 RSKNWRBQYHMKOM-QFIPXVFZSA-N 333.431 4.345 0 1 EIAF C[C@@]1(c2c[nH]c3cnccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527673 VDVWTEXYYIIFBR-NRFANRHFSA-N 332.403 4.322 0 1 EIAF C[C@]12CC(=O)C[C@@]1(C)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587527854 WXUMXFDIDVAXIY-ZBYYUNFXSA-N 338.447 4.439 0 1 EIAF OCc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782226 JKXSBNNMISLLTE-UHFFFAOYSA-N 346.386 4.007 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cncc(Cl)c2[nH]1 587935746 VFIKMRYQJDNPDM-UHFFFAOYSA-N 325.799 4.192 0 1 EIAF CCCCCCSc1nc(O)cc(OCCCCCCCO)n1 653838774 IQUZOWCCGFQBEO-UHFFFAOYSA-N 342.505 4.176 0 1 EIAF C[C@@H]1C[C@@H]1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955201 KCWLNHCRXCTELU-BFQNTYOBSA-N 325.374 4.054 0 1 EIAF Cc1cc([C@]2(CCC(=O)O)NCCc3c2sc(C)c3C)c(C)s1 963034044 XBCPFGXIRPFOHA-SFHVURJKSA-N 349.521 4.297 0 1 EIAF COc1cc(N=c2cc[nH]c3ccc(Cl)cc23)cc(OC)c1OC 1173904011 FQUBTLMSWPIBBP-UHFFFAOYSA-N 344.798 4.080 0 1 EIAF C[C@@H]1C(=O)N(C)c2ccc(N[C@@H]3CCc4ccccc43)cc2N1C1CC1 1857630991 FYPQDBIFKNYTOD-AUUYWEPGSA-N 347.462 4.120 0 1 EIAF CCc1ccc2c(c1)NC(=O)[C@]2(C)Cc1ccc(C(F)(F)F)nc1 61926258 HBNZJERXJAXACC-QGZVFWFLSA-N 334.341 4.115 0 3 EIAF CC1=CC(C)(C)Nc2c1cc1c(C(F)(F)F)cc(=O)n(C)c1c2C 13778363 HDWOUMOXUDDGSY-UHFFFAOYSA-N 336.357 4.473 0 1 EIAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccccc2)n1CC1CC1 28954318 WDOOWFRBACDILW-ZZEZOPTASA-N 328.481 4.307 0 1 EIAF CCOc1cccc(OCC)c1-c1ccc([C@H](C)C(=O)O)cc1F 29041590 TZOMOHQHOGZCPT-LBPRGKRZSA-N 332.371 4.478 0 1 EIAF CCc1ccc(OC(C)=O)c(Cc2cc(CC)ccc2OC(C)=O)c1 64415643 CVBHNKZIOOMVCG-UHFFFAOYSA-N 340.419 4.253 0 1 EIAF O=C(OC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 66166945 ZVQCTZVWEBSXKK-WCRBZPEASA-N 335.447 4.082 0 1 EIAF in-vitro O=C1CCc2cc(-c3cncc(-c4ccccc4F)c3)cc3c2N1CC3 71277213 RKRZXVZDQQAISX-UHFFFAOYSA-N 344.389 4.390 0 1 EIAF COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1 95592111 WAXJONPSDKJXDR-UHFFFAOYSA-N 339.786 4.099 0 1 EIAF CCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103242508 KJOFGFZOQFYTIA-UHFFFAOYSA-N 330.767 4.424 0 1 EIAF Nc1nc2ccccc2n1CCCOc1ccc(Cl)cc1Cl 299822462 NXUXXYXSCRDZQE-UHFFFAOYSA-N 336.222 4.394 0 1 EIAF COc1cc(OC)cc(-c2c[nH]c3ncc(-c4cccc(N)c4)cc23)c1 299827466 JWCOVAQAOCRONX-UHFFFAOYSA-N 345.402 4.496 0 1 EIAF Oc1cccc([C@H](O)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586891699 OWWDYYKVBJVWMV-IBGZPJMESA-N 332.359 4.143 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005197 BPPFGSUTWBGPSO-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF CCOc1cc(/C=C/c2nc3ccc(C)nc3[nH]2)ccc1OC(F)F 587131226 XLJVPKCLLYUYQC-RMKNXTFCSA-N 345.349 4.437 0 1 EIAF N=c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c2ccccc2[nH]1 587254777 ZDQLVTZSGAQTEH-UHFFFAOYSA-N 328.297 4.209 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(C(C)(C)C)cc1N)O2 587410837 QEVAVCQOIWPBTG-LJQANCHMSA-N 344.480 4.399 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(C)c1)[C@@H](C2)C3=O 587418913 BNBLLKKGWUHIEM-SCLBCKFNSA-N 346.329 4.094 0 1 EIAF O=C(O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532387 QGCLJWMKOOSVKW-OAHLLOKOSA-N 328.389 4.032 0 1 EIAF COc1cc2ncnc(Nc3c(Cl)ccc(O)c3C)c2cc1OC 653720540 ROWBUVNWDDXPJB-UHFFFAOYSA-N 345.786 4.058 0 1 EIAF C[C@@H]1S[C@H](c2ccc(Cl)cc2)c2cc3c(cc2NC1=O)OCO3 1772606756 GZPDGZQJBIKHCW-XXFAHNHDSA-N 347.823 4.232 0 1 EIAF O=c1nc2c(c3ccn(Cc4ccccc4)cc1-3)CCc1ccccc1-2 1857538226 ZPSWJRYLKRUJMS-UHFFFAOYSA-N 338.410 4.162 0 1 EIAF FC(F)(F)Oc1ccc(N=c2[nH]c3ccccc3nc2Cl)cc1 1857607657 ZATIVSSZBTYHAQ-UHFFFAOYSA-N 339.704 4.347 0 1 EIAF COc1ccc([C@H](O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 61903489 MMCVUJYNZHMNOT-KRWDZBQOSA-N 345.395 4.048 0 3 EIAF CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C/C=C\CCCC(=O)O 5820880 RFCYXKNVYQOCTM-PEPUZGFWSA-N 336.472 4.158 0 1 EIAF O[C@H](CCCCCCc1ccccc1)c1ncc(-c2ncccn2)o1 13611978 YZXSMKJXMMFIBA-QGZVFWFLSA-N 337.423 4.358 0 1 EIAF CCc1ccc(-n2cnc3c(sc4cccc(N(C)C)c43)c2=O)cc1 13676163 PNYBDVUFMGSQSL-UHFFFAOYSA-N 349.459 4.229 0 1 EIAF Cc1cccc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 28713281 WALLGOIBLNJRNB-ZSWVUIPGSA-N 328.481 4.012 0 1 EIAF O[C@@]1(c2ccccc2)C2=NCC3(CCCCCC3)CN2c2ccccc21 34249469 FICJCEREFXQHKD-HSZRJFAPSA-N 346.474 4.495 0 1 EIAF COc1cc(/C=C/c2nc3ccccc3[nH]2)ccc1-n1cnc(C)c1 43197796 SYUREMUKNUXSPV-CSKARUKUSA-N 330.391 4.236 0 1 EIAF C/C=C/[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3[C@@H](OC)C[C@@]21C 58508592 JZGITRTURCNLBW-KZKSMMLXSA-N 342.479 4.180 0 1 EIAF Fc1cc(F)cc(CNc2cc(Oc3cccc(F)c3)ncn2)c1 82068289 UZGYQJJGNKWZEP-UHFFFAOYSA-N 331.297 4.298 0 1 EIAF CN(C)c1ccc(Nc2cc(=O)oc3c4c(ccc23)CCCC4)cc1 84633950 AIBGKFFRFDWHEM-UHFFFAOYSA-N 334.419 4.481 0 1 EIAF c1cc2sc(Oc3ccc(CN4CCCCC4)cc3)nc2cn1 95560299 DNRBWXQTMZJQIJ-UHFFFAOYSA-N 325.437 4.470 0 1 EIAF O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ncccc2c1 95595892 JFVBJAUNZGZXBK-UHFFFAOYSA-N 346.386 4.426 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccccc3CC[C@@H]21 100620689 KKVWUXHOSMQRCN-FPOVZHCZSA-N 330.431 4.280 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]21CCC(=O)O1 101248008 WJTQAIIEUXLAEB-WQBVUOOHSA-N 326.436 4.324 0 1 EIAF N[C@H]1CC[C@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CC1 101637382 GYBGYCCEXGKGND-KDYLLFBJSA-N 342.870 4.254 0 1 EIAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccsc1 102980954 BHEWIMCVPYNGOS-OAHLLOKOSA-N 331.437 4.365 0 1 EIAF CC(C)c1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 103261278 JQBDALKBSPRDSG-FQEVSTJZSA-N 333.435 4.413 0 1 EIAF Cc1cc(NCc2c(C)cccc2Cl)c2cccc(C(N)=O)c2n1 473086735 CNMKNEFBMQWAQL-UHFFFAOYSA-N 339.826 4.216 0 1 EIAF Oc1ccc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1 586898589 POXVNVWSWUHGPN-UHFFFAOYSA-N 326.359 4.479 0 1 EIAF Cc1nccc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 587135182 UYWPDIZSDDNYKU-IHWYPQMZSA-N 325.240 4.132 0 1 EIAF C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345413 IZHRIWPRTCSWDI-PZJWPPBQSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCCF)cc1)O2 587382287 LMNUIOKLLKEDHC-HXUWFJFHSA-N 343.398 4.196 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426525 DCCXIXPAVBRYLC-LLGFUMIMSA-N 338.378 4.288 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(O)cc13)CC2=O 587484449 PDNVHOYHASILEG-IBGZPJMESA-N 337.375 4.238 0 1 EIAF Cc1ccn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 587516565 YEGNAVUXALYBHR-LJQANCHMSA-N 332.403 4.228 0 1 EIAF COC(=O)c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526132 RRFZXKSJGWIKEG-LJQANCHMSA-N 336.387 4.059 0 1 EIAF O=C1C[C@@]2(CCCc3c(O)cccc32)Oc2c1ccc1c2CCCC1 587532212 JSMFYJBNGBNUGI-JOCHJYFZSA-N 334.415 4.468 0 1 EIAF C[C@@H]1COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536078 RFTBKWFWNKZDQB-JLCFBVMHSA-N 334.415 4.455 0 1 EIAF CCc1cc2c(-n3nc4cc3Oc3ccc(F)cc3-4)ncnc2s1 587877194 ZXIMCNJBQKVTPG-UHFFFAOYSA-N 338.367 4.351 0 1 EIAF CCCNc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccco2)o1 1772598027 MOPYJNBCJBWKNZ-UHFFFAOYSA-N 338.289 4.232 0 1 EIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccsc4)ccc32)cc1 1857774541 MEEQMCYGNSCCFZ-UHFFFAOYSA-N 349.411 4.153 0 1 EIAF COC(=O)[C@H](C)CCC[C@@H]1C(C)(C)[C@H]2C=C3C[C@@H](C)[C@@H](O)[C@]31CC2 2356439227 JGSCGGSHKGLIOT-CPIJZORTSA-N 334.500 4.345 0 1 EIAF O=C(Nc1ccccc1)Nc1nc2ncccn2c1-c1ccc(F)cc1 203466174 SJNWFFWCEHNZDS-UHFFFAOYSA-N 347.353 4.179 0 3 EIAF COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCC(C)C)cc3O[C@@H]21 5962712 JGUCMKGSUDQQQC-QRWLVFNGSA-N 342.391 4.045 0 1 EIAF CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12 6748670 INJRQMUCRHTXTQ-UHFFFAOYSA-N 335.432 4.274 0 1 EIAF Cc1c(CNc2ccc(Cl)c(Cl)c2)ccc2nc(N)nc(N)c12 13283587 QETXZTVFFCHAOB-UHFFFAOYSA-N 348.237 4.022 0 1 EIAF COc1cc(NC(=O)/C=C/c2ccccc2C)ccc1-c1cnco1 13818693 TUEWJFBEXQVISD-JXMROGBWSA-N 334.375 4.311 0 1 EIAF O=C(Cc1cccc2[nH]ccc12)NCc1ccc(C(F)(F)F)cc1 14973878 RTMQMNJLNCSOPC-UHFFFAOYSA-N 332.325 4.046 0 1 EIAF COc1cccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)c1 26570470 IUBJMZDJKIYGNR-PMACEKPBSA-N 348.446 4.248 0 1 EIAF CCCCCN1C(=O)[C@@]2(CCc3cc4c(cc32)OCO4)c2ccccc21 71341200 SKMITBUYSAXHIH-QFIPXVFZSA-N 349.430 4.184 0 1 EIAF CC(=O)c1cccc(-c2cc(NCCc3ccccc3F)ncn2)c1 82161600 ZHVQCUVOYYPFBL-UHFFFAOYSA-N 335.382 4.140 0 1 EIAF COc1cc(-c2cccc3c(O)c(OC)ccc23)cc(OC)c1OC 84616059 DJPOTXKIEZJVFX-UHFFFAOYSA-N 340.375 4.247 0 1 EIAF Nc1scc(-c2cccc(F)c2)c1C(=O)OCc1ccccc1 96929355 PJQDBVPORKVUQF-UHFFFAOYSA-N 327.380 4.493 0 1 EIAF Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4ccccc4)nc3)nc2c1 113983085 MLYJJISQOFFZCT-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 586915744 HKKLHGYEOJXBDQ-BFUOFWGJSA-N 342.345 4.058 0 1 EIAF COc1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126397 ACCNWGQNDQEBEL-UHFFFAOYSA-N 348.284 4.013 0 1 EIAF Cc1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c(C)n1 587135351 XLRVYMOTCXBJPD-ARJAWSKDSA-N 339.267 4.441 0 1 EIAF Nc1c(-c2nc3cc(Cl)c(F)cc3[nH]2)cnc2c(F)cccc12 587176289 JVXOIVKFCTUVJV-UHFFFAOYSA-N 330.725 4.292 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1[nH]c(-c3ccccc3)nc1C)O2 587396392 KEHGMESAPYEXAV-OAQYLSRUSA-N 347.418 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)c(F)cc31)CC2=O 587472874 WHWVMKKOZIHIFE-FQEVSTJZSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)cc1C)CC2=O 587473356 SKTQEUDAWAGLQI-HXUWFJFHSA-N 325.408 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC)nc1C(C)C)CC2=O 587474405 DICGJUKPQRQAOT-SFHVURJKSA-N 342.439 4.391 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1C1CCCC1)CC2=O 587474592 GGAGRYUUPNNAKO-LJQANCHMSA-N 340.423 4.363 0 1 EIAF COc1ccc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587502638 SEWWQXUALCOAFG-MRXNPFEDSA-N 343.810 4.329 0 1 EIAF CCN[C@H](C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511780 NMLNBRUFGSGTKP-MWTRTKDXSA-N 349.474 4.424 0 1 EIAF O=C1C[C@@H](c2ccc3c(n2)NCCC3)Oc2c1ccc1c2CCCC1 587524060 JODNOVGAMGPSDW-IBGZPJMESA-N 334.419 4.025 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CC2(C)C)N1 587816363 XCFDHWQCWPCTJL-ULMHFPJVSA-N 326.253 4.384 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)c1ccccc1 587872560 NLSJQCDHCDYPOP-UHFFFAOYSA-N 326.396 4.312 0 1 EIAF COc1ccc(/C=C/Cc2nc3c(C)cnc(Cl)c3[nH]2)c(OC)c1 587930192 QUNNEGOVOUGLMG-SNAWJCMRSA-N 343.814 4.193 0 1 EIAF Cc1cc(F)ccc1C1CCN(C[C@@H]2Cc3ccccc3CN2)CC1 653745054 YLRVVUNTBVYUEG-NRFANRHFSA-N 338.470 4.028 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc2cn(C)nc2c1 963221842 AWWAFJMOAJIAKK-KSFYIVLOSA-N 333.479 4.493 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(-n2cncn2)cc1 963226251 HEYRHYADGNDOOI-HTAPYJJXSA-N 346.478 4.187 0 1 EIAF NC(=O)Cc1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857540996 KEWDNFJZNQDTBB-UHFFFAOYSA-N 346.430 4.080 0 1 EIAF CCCc1nn(C)c2c(N3CCCC3)nc(/C=C/c3ccccc3)nc12 1857544408 PQPHCRFWGKJBJL-OUKQBFOZSA-N 347.466 4.086 0 1 EIAF CC[C@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1CC(C)C 1857768617 CHGPSNOYTYEEAF-ZDUSSCGKSA-N 327.346 4.251 0 1 EIAF COc1cccc2c1CO[C@@]21Oc2cc(C)cc3ccc(OC)c1c23 2356827651 INXIOQSIMHUQBH-OAQYLSRUSA-N 334.371 4.289 0 1 EIAF Cc1c(-c2ccc(Cl)c(Cl)c2)sc2nc(N)nc(N)c12 5891684 YJQGTWXFPZUEAF-UHFFFAOYSA-N 325.224 4.138 0 1 EIAF Cn1c(-c2ccccc2)nc2c(Sc3ccc(F)cc3)ncnc21 13608635 KECUZDGTNXXCBD-UHFFFAOYSA-N 336.395 4.321 0 1 EIAF Cc1ccc(-c2cc3ccccc3c(N3CCCN(C)CC3)n2)cc1 27517590 FNFDFTFPYSMWFS-UHFFFAOYSA-N 331.463 4.352 0 1 EIAF NCCCNc1nc(-c2cccc(C(F)(F)F)c2)cc2ncccc12 34322557 VZYNYQLCAKUWRO-UHFFFAOYSA-N 346.356 4.076 0 1 EIAF C[C@H](C(=O)OCCn1ccnc1)c1ccc(-c2ccccc2)c(F)c1 72179504 ORDBHILBCJYXSV-HNNXBMFYSA-N 338.382 4.036 0 1 EIAF COc1ccc(OC)c(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)c1 82161213 XOICVWTWNQHIEL-OAHLLOKOSA-N 349.434 4.376 0 1 EIAF CC1=N[C@@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)N=C1N 95575147 LQZWYEXWILDROH-NRFANRHFSA-N 332.451 4.313 0 1 EIAF COc1cc([C@@H](C)c2ccc3c(ccn3C)c2)cc(OC)c1OC 95585014 KSMCRSWQQZCSAS-ZDUSSCGKSA-N 325.408 4.356 0 1 EIAF Cc1nn(-c2ncc(C3CC3)cn2)c(OC(C)C)c1Cc1ccccc1 299861758 ISVCXZGMFACEQQ-UHFFFAOYSA-N 348.450 4.226 0 1 EIAF COc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 473150217 LJHGHYGSORULJP-MRXNPFEDSA-N 339.435 4.289 0 1 EIAF COc1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 586979816 WBXGZEIOXWKIMC-UHFFFAOYSA-N 332.201 4.013 0 1 EIAF O=C1c2ccccc2-c2cc(-c3cncs3)nc3ccc(O)c1c23 586994581 XOTPLOVWRDOMQE-UHFFFAOYSA-N 330.368 4.275 0 1 EIAF Clc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2nc1Cl 587016249 IKVAYMNOYAVBCZ-SECBINFHSA-N 341.223 4.240 0 1 EIAF COC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085390 VMAYEPWMCJQIGF-UHFFFAOYSA-N 337.766 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O)cc1)O2 587404159 OLEDTIYUAMLEAG-JOCHJYFZSA-N 345.398 4.192 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3)s1)O2 587413042 LOCRPKXBRZEAIX-INIZCTEOSA-N 336.416 4.407 0 1 EIAF CCCc1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441755 HMAPJWRAAPURSC-IERDGZPVSA-N 338.403 4.145 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC[C@@](C)(c4ccccc4)C1)[C@@H](C2)C3=O 587448154 ZOLBKJLXTFCOLO-MTNREXPMSA-N 334.415 4.323 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccccc4)s1)[C@@H](C2)C3=O 587449594 BSTXUYRIMJIOGU-LIRRHRJNSA-N 349.411 4.307 0 1 EIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CCO[C@H]1C21CCCC1 587535562 LERLJDDVZVHBIK-WEYGHZABSA-N 338.447 4.249 0 1 EIAF CC(C)COc1cccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)c1 587566051 RNDGUUCVCPYDHA-UHFFFAOYSA-N 336.395 4.053 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1occc12 587615230 FOUCIKJEMCKWFK-RXVVDRJESA-N 348.354 4.179 0 1 EIAF CCCOc1cccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587778990 SMTOSBTZILAXKH-UHFFFAOYSA-N 338.304 4.499 0 1 EIAF FC(F)(F)c1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1 587780901 LJKBDQJJBPENMU-QPJJXVBHSA-N 333.313 4.207 0 1 EIAF CC(C)[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823576 QFPOBWQDBMZQQR-RSAASHCRSA-N 326.253 4.384 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587938657 YGIYBHWJLKTTSD-PIGZYNQJSA-N 330.815 4.370 0 1 EIAF C[C@@H](c1ccccc1)n1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1 653900911 BOYFTCVHQXVDDZ-CABCVRRESA-N 346.434 4.302 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(F)cc(C(=O)O)c2)N1 962951940 JKUIIPMCTOLRCT-KDOFPFPSSA-N 338.382 4.019 0 1 EIAF O=C1CCC[C@@H]2CCC[C@]3(c4ccc(F)cc4C[C@H]4CCCN43)[C@@H]12 963092628 ACRWSOXFNGPTCP-NVGWVTIJSA-N 327.443 4.211 0 1 EIAF O=C(O)CCCC=CC[C@@H](O)C=CC=CCC=CCCCCCO 2356497109 AEHUQHOABRTKBQ-IBGZPJMESA-N 336.472 4.160 0 1 EIAF CC=CCC[C@@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@@H]1OC 2356800730 RDVSMDUHDAFGOJ-HNAYVOBHSA-N 346.423 4.189 0 1 EIAF CCc1cc(Cl)c(O)c(C(=O)c2c[nH]c(Cl)c2Cl)c1O 4322 WCKOLMXDUHZERK-UHFFFAOYSA-N 334.586 4.180 0 1 EIAF biogenic,investigational CCCCc1nc2ccc(F)cc2n1Cc1ccc(C(=O)O)cc1 13451154 ZMAUTJHJBNGPLI-UHFFFAOYSA-N 326.371 4.265 0 1 EIAF O[C@@H](CN[C@H]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 13488798 QLNZKSYBCDXUSK-YWZLYKJASA-N 340.854 4.002 0 1 EIAF c1ccc(-c2cc3ncnc(Nc4ccc5n[nH]nc5c4)c3s2)cc1 13588163 DMWLNBDXYXXOBU-UHFFFAOYSA-N 344.403 4.373 0 1 EIAF O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@@H](CCc3ccccc3)CN12 27522751 FUFUOVKHYWVUGP-AZUAARDMSA-N 341.838 4.147 0 1 EIAF Cc1noc(C)c1[C@H](OC1CCNCC1)c1ccc(C(C)C)cc1 28249048 JSDXDXJQVGXFCS-HXUWFJFHSA-N 328.456 4.273 0 1 EIAF Cc1csc2nc(OCC3CCN(C(C)C)CC3)c3cccn3c12 40379014 VTPNPBDVPFUPSP-UHFFFAOYSA-N 343.496 4.357 0 1 EIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(F)CC=CC[C@]4(C)[C@H]3CC[C@]12C 42888293 MPBJPAGNVVBPLL-CWFJNAJYSA-N 348.458 4.398 0 1 EIAF CCC[C@H](CNCc1ccccc1)CNc1cc(=O)c2ccccc2[nH]1 45168003 IYJXNMPDRPODMR-GOSISDBHSA-N 349.478 4.146 0 1 EIAF O=C(NCCc1ccc(O)cc1)n1c2ccccc2c2ccccc21 45202586 OWMMXNGJZGVTFZ-UHFFFAOYSA-N 330.387 4.301 0 1 EIAF Oc1ccc(-c2cc3c(NCc4ccc(F)cc4)ncnc3[nH]2)cc1 73196655 HXQMBTCDQFEKSL-UHFFFAOYSA-N 334.354 4.082 0 1 EIAF O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929565 VGXAKPBLUMROSA-PCCBWWKXSA-N 334.463 4.061 0 1 EIAF Oc1ccc(-c2cc3cc([125I])ccc3o2)cc1 103072169 CKHVLIPNLNMQRR-VLPIPSKASA-N 334.129 4.410 0 1 EIAF Cc1ccccc1OCCCn1c2c(c3cc(F)ccc31)CNCC2 169350524 LLWOPYLXDGPSJE-UHFFFAOYSA-N 338.426 4.204 0 1 EIAF OCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 586895627 QJADTZCXBNHZRN-UHFFFAOYSA-N 337.604 4.138 0 1 EIAF Cc1ccc(-n2ccnc2SCc2nc3cc(C)cnc3[nH]2)c(C)c1 586966735 QVUBFQBPLLKLFP-UHFFFAOYSA-N 349.463 4.361 0 1 EIAF COc1cncc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083553 AEWWRQXWBDVRRL-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF COc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1C 587161041 KTJAFBWMYDQUKW-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF Fc1ccc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)coc2c1 587173799 ALLUBUNZYWZFGA-UHFFFAOYSA-N 332.237 4.437 0 1 EIAF O=C(O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241882 CPCJCTKADSLQJO-UHFFFAOYSA-N 345.358 4.377 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3cc(F)c(F)cc31)O2 587384347 KLNLEQNWQCHZRL-SFHVURJKSA-N 347.386 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C=O)sc3s1)O2 587414339 LTCTWQAOCRLYJM-AWEZNQCLSA-N 343.429 4.372 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccnc4)c1)[C@@H](C2)C3=O 587435025 AVVWKHVUVWYNEP-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF CCCC[C@]1(CCCCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587447938 WWJMYGDYPYZPJA-FOIQADDNSA-N 346.423 4.017 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O 587448131 ZBWHJFDQZNLZJZ-NRJQMVOHSA-N 334.415 4.481 0 1 EIAF CCC[C@]1([C@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522797 HSZMPCLQMQGQQY-SPLOXXLWSA-N 344.451 4.269 0 1 EIAF C[C@]1(c2cc[nH]c3nccc2-3)CC(=O)c2ccc3c(c2O1)CCCC3 587523894 IQXWNYRPMVTLGZ-OAQYLSRUSA-N 332.403 4.274 0 1 EIAF COc1cccc(OCc2ccc(-c3nc4ncccc4[nH]3)cc2)c1 587781833 NSFRSZAJTVQCCY-UHFFFAOYSA-N 331.375 4.213 0 1 EIAF CC(=O)Nc1cc(-c2nc(-c3ccc(F)c(F)c3)cs2)ccn1 587922113 HHRJDZHIRZATBP-UHFFFAOYSA-N 331.347 4.109 0 1 EIAF COc1cc(OC)c2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc2c1 587929203 HHKBEVKMUNBKTM-JLTOFOAXSA-N 338.407 4.034 0 1 EIAF Oc1ccc2c(c1)[C@H](c1cc(Br)ccc1Cl)NCC2 963343399 VLUIZRWMTHTRPL-OAHLLOKOSA-N 338.632 4.043 0 1 EIAF C[C@@H](CCCC(=CCO)CO)CCC[C@@H](C)CCCC(C)(C)O 2356445404 AKXRSPSASWQOHJ-QZTJIDSGSA-N 328.537 4.451 0 1 EIAF CC(C)(O)c1cc2c3c(ccc2o1)C(=O)C[C@H](c1ccc(O)cc1)O3 2356740499 NNTNZSXIELRUQM-QGZVFWFLSA-N 338.359 4.072 0 1 EIAF O=C(c1ccccc1)c1ccc(Cn2cc(-c3ccccc3)nn2)cc1 15937287 GKHPFGWUHGKRRF-UHFFFAOYSA-N 339.398 4.224 0 3 EIAF Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)on1 8583714 CZJWPAZACJONQQ-UHFFFAOYSA-N 348.811 4.104 0 1 EIAF CN1C[C@@H]2C[C@@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@H]1C2 13446463 WOMCGBFNBSIIEA-IOMROCGXSA-N 349.474 4.019 0 1 EIAF CCCN1CCc2cc(F)cc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 26839205 QLNBXWPJNSJICB-MRXNPFEDSA-N 325.383 4.087 0 1 EIAF CN(C)C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 28826576 MVRFMYSPMZAEMT-UHFFFAOYSA-N 327.167 4.241 0 1 EIAF CNc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1 40425252 DBJYPFDFNHRDNQ-BQYQJAHWSA-N 333.420 4.065 0 1 EIAF c1ccc(Cn2cnc3c(-c4cc5ccccc5o4)ncnc32)cc1 45353025 HREOCZMFTWERMI-UHFFFAOYSA-N 326.359 4.288 0 1 EIAF CC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1 49113064 YAOWUNOWVQEGOW-GOSISDBHSA-N 337.511 4.498 0 1 EIAF O=C(NC1CCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66073988 WCBABDOVZCPOKE-UHFFFAOYSA-N 344.720 4.296 0 1 EIAF COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4ccc(C)cc4)nc23)cc1 74386647 WYYGTPSPURPVRQ-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccccc3)c(=O)oc12 84724727 YPQXELFOWHLYLX-UHFFFAOYSA-N 349.430 4.241 0 1 EIAF Nc1nccc(-c2cn(Cc3ccc(Cl)s3)c3ccccc23)n1 103297228 HNQYIGPXJTWSMA-UHFFFAOYSA-N 340.839 4.444 0 1 EIAF CC(C)(C)OC(=O)c1csc(-c2cnc(-c3ccccc3)nc2)n1 146704378 ZNWYFZLRJOJJAM-UHFFFAOYSA-N 339.420 4.222 0 1 EIAF O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(F)c(C(F)(F)F)c1 391629527 VRWQJELEWBURFD-UHFFFAOYSA-N 342.248 4.187 0 1 EIAF COc1ccc2c([C@@H](C)c3cccc(Cl)c3)ncnc2c1OC 474609346 PTKHJCOSJZFBNS-NSHDSACASA-N 328.799 4.452 0 1 EIAF OCCc1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899349 YSUGKYISUNSBNM-UHFFFAOYSA-N 330.387 4.137 0 1 EIAF Fc1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587022858 ATODYMLGWTXJFZ-UHFFFAOYSA-N 332.585 4.241 0 1 EIAF COc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1OC 587036855 OLBDZKOKQDLEHH-HNNXBMFYSA-N 332.450 4.020 0 1 EIAF Fc1cc2nc([C@H]3SCCc4sccc43)[nH]c2c(F)c1F 587037104 RWXHAVYMIXYBBC-ZDUSSCGKSA-N 326.368 4.420 0 1 EIAF Fc1cnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587075749 KAGGUYMKBHJLNE-HNNXBMFYSA-N 330.794 4.088 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2c1 587174994 VBZPIRKDSFERLE-AWEZNQCLSA-N 347.187 4.449 0 1 EIAF CCCCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398041 AEJHMGSFPDLCEH-IBGZPJMESA-N 325.408 4.463 0 1 EIAF CC[C@@]1(c2cc(C)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587401860 ZFWWICLSXSCLLO-FQEVSTJZSA-N 325.408 4.165 0 1 EIAF Cc1cc(C)nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587771975 MRILXMXOJJVMIR-DIFFPNOSSA-N 349.247 4.224 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCC(C)(C)O2)N1 587831624 IHXSNIFHOLXPID-NKZPBKNFSA-N 342.252 4.121 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCSC2)N1 587858293 PVDKMCCRZZBTBH-IQMDTDKHSA-N 344.293 4.307 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cnncc4[nH]3)c2C)c(OC)c1 587929049 KZWNHUWWHFKPFF-UHFFFAOYSA-N 346.390 4.013 0 1 EIAF O=C(CCc1ccccc1)c1nc2c(OC(F)(F)F)cccc2[nH]1 587953631 OABKLQXSJMUDME-UHFFFAOYSA-N 334.297 4.277 0 1 EIAF N[C@@H]1Cc2c(ccc3ccccc23)O[C@H]1c1cc(F)c(F)cc1F 1772576144 POGGQRUNRMLVFW-MJGOQNOKSA-N 329.321 4.261 0 1 EIAF Oc1c(F)cc(-c2cncc(-c3cc(F)c(O)c(F)c3)c2)cc1F 1857600135 PXWYRPNRZAAUQA-UHFFFAOYSA-N 335.256 4.383 0 1 EIAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3[nH]2)C[C@@H]1C(C)C 2356287016 WNQLIDNLDWFEJG-OKZBNKHCSA-N 339.483 4.096 0 1 EIAF N[C@@H](c1csc(Nc2nncc3ccccc23)n1)C1CCCCC1 61925783 KROJFHZANXLOFX-MRXNPFEDSA-N 339.468 4.410 0 3 EIAF CNCCC[C@H]1Cc2ccccc2N(c2cccc(Cl)c2)C1=O 13978118 SVXFDINGBNILGI-HNNXBMFYSA-N 328.843 4.177 0 1 EIAF Cc1ccccc1-c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)o1 28522400 CTLDCFURCCWYMH-AQTBWJFISA-N 347.370 4.111 0 1 EIAF Clc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1Cl 28524483 SDQSOZOAKFFRMT-UHFFFAOYSA-N 346.217 4.252 0 1 EIAF CN(c1ccc(/C=C/c2ccccc2)cc1)[P@]1(=O)NCCCO1 38142099 SFQWNRRXORXBRQ-YVSHKSEASA-N 328.352 4.411 0 1 EIAF O=C(Nc1nc2ccc(Cl)cc2s1)Nc1ccc(O)cc1O 40567236 YBBTWQWNNSKGQQ-UHFFFAOYSA-N 335.772 4.005 0 1 EIAF COc1ccccc1-c1cc2c(Nc3cccnc3)nccc2n1C 74386862 IRRWGJUBCXLORZ-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF O=C(c1ccc2ncsc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 96169420 WRUZYLJYDDVULR-AEFFLSMTSA-N 334.444 4.241 0 1 EIAF C[C@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1 117722766 FRQMBTAFOBCSRS-BBRMVZONSA-N 328.843 4.159 0 1 EIAF O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 143972558 CUTNGEIQLOZHNS-UHFFFAOYSA-N 347.340 4.424 0 1 EIAF CCOC(=O)C1=C(C)NC(c2ccccc2)=C[C@H]1c1ccc(OC)cc1 169348098 JYPNNRSXCADAMA-IBGZPJMESA-N 349.430 4.260 0 1 EIAF CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@H](C)[C@]21C 238760441 JIUYRYQJXGQPHK-BVDDYWJCSA-N 332.440 4.396 0 1 EIAF biogenic COc1c(O)cccc1[C@@H]1O[C@H](c2cccc3c2OCO3)[C@@H](C)[C@@H]1C 238782267 MMWHIYBZMMYTSK-UQLKUDODSA-N 342.391 4.214 0 1 EIAF C=Cc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 586882207 VUHBCQQVUCSGFI-UHFFFAOYSA-N 346.171 4.478 0 1 EIAF Cc1cc(F)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587080688 SLIHVQNRLDLKCJ-CQSZACIVSA-N 342.805 4.388 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587134928 WRDBQLKNUPQKAL-UHFFFAOYSA-N 330.212 4.112 0 1 EIAF CC(C)Oc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587162672 KNISQRVLVUTFKD-UHFFFAOYSA-N 341.386 4.061 0 1 EIAF CC(=O)NC1(c2nc3cccc(C(C)(C)C)c3[nH]2)CCC(C)CC1 587234491 NUSDZHKNLRKMTD-UHFFFAOYSA-N 327.472 4.402 0 1 EIAF O=C(/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccccc1 587245379 WVMGZNJQMZLURD-MDZDMXLPSA-N 331.297 4.234 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cccc3)cc1)O2 587391650 SWSXSJLEJYBQCO-NRFANRHFSA-N 332.403 4.249 0 1 EIAF CCn1ccc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587430867 KXMGWSSQUQBXKS-IIBYNOLFSA-N 333.387 4.159 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCCCC4)c1)[C@@H](C2)C3=O 587440998 CNAHQZIQNAHRDB-AVRDEDQJSA-N 349.430 4.174 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1C)OCO3)CC2=O 587493856 WNLUVJSUTYPQKN-KRWDZBQOSA-N 340.375 4.088 0 1 EIAF O=C1C[C@H](c2cc(O)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 587501599 CIHFPIQRGBPVKI-QGZVFWFLSA-N 330.330 4.256 0 1 EIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccncc3)c(-c3ccccc3)c2c1 587651420 SQCHPMMVBIJXSH-UHFFFAOYSA-N 348.427 4.300 0 1 EIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)c1 587657859 BWWVKZLKDUOLHR-UHFFFAOYSA-N 334.325 4.331 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587826592 FIEOCBDTAMQTOB-FVMDXXJSSA-N 338.220 4.287 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCSCC2)N1 587853571 AIPMXOJOJXJZQK-BJOHPYRUSA-N 344.293 4.307 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4cncc(OC)c4[nH]3)c2)c1 587933829 WDMGDCNPMALOSC-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF CC(C)Nc1nc(N[C@H]2CC[C@H](C)CC2)c2nn3ccccc3c2n1 653744965 IXOUCIMHUUDULN-HDJSIYSDSA-N 338.459 4.088 0 1 EIAF COc1ccc(-c2ccncc2[C@@H]2NCCc3cc(C)c(F)cc32)cc1 962148228 RPLQISBQNFIGSO-JOCHJYFZSA-N 348.421 4.440 0 1 EIAF Cc1nccn1-c1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963111036 QXDCBDXCUDVVJY-UNMCSNQZSA-N 347.437 4.430 0 1 EIAF COc1ccccc1NCc1ccc(CNc2ccccc2OC)nc1 1772613974 OJXIESYYQDCOEW-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 1857567078 QLZOSNWYWZNEJT-WRJHFWDFSA-N 330.468 4.452 0 1 EIAF O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 1857639201 ZJPXAVVKRGAFRV-UHFFFAOYSA-N 329.403 4.127 0 1 EIAF CCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857641252 MVMAKMXCWDZYAF-INIZCTEOSA-N 330.840 4.293 0 1 EIAF CC(C)c1c(O)ccc2c1C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356527088 WDDXJPVDQFRGNC-BEVDRBHNSA-N 330.424 4.251 0 1 EIAF CC=C(C)C(=O)OCC1=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2CC1 2356614174 KGWAJNHQUWKJGM-SFHVURJKSA-N 330.424 4.184 0 1 EIAF CN(C)Cc1ccc(COC(=O)C2c3ccccc3-c3ccccc32)o1 13602047 WVROUXVBZSZIMD-UHFFFAOYSA-N 347.414 4.197 0 1 EIAF CC(C)CO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27555743 UZGXVEGGVMJJLF-IBGZPJMESA-N 342.826 4.128 0 1 EIAF CS(=O)(=O)Nc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1 45284626 YAKBGFWYAHMGDP-UHFFFAOYSA-N 345.445 4.159 0 1 EIAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 71319187 XJNXEEASXBUDAQ-IBGZPJMESA-N 349.434 4.415 0 1 EIAF Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)no1 73141748 HIHMHPBFMUZGJN-CYBMUJFWSA-N 329.208 4.068 0 1 EIAF O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cccc(O)c12 73224918 IXDJGKAZIZKBGI-UHFFFAOYSA-N 348.446 4.011 0 1 EIAF CCOc1ccc(-c2cc(NC3Cc4ccccc4C3)ncn2)cc1 82161768 DWOWRKJUPJOSCB-UHFFFAOYSA-N 331.419 4.122 0 1 EIAF Cc1ccc([C@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 95613102 XZFSNXXZUYDNQE-LBPRGKRZSA-N 340.810 4.190 0 1 EIAF CC(C)[C@H]1[C@@H](C)OC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 142101324 ICZGSGXXNIPUME-VBQJREDUSA-N 340.427 4.019 0 1 EIAF CC(C)(C)C(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169342428 SHHWJFWQYLCSAZ-WYXSWZBYSA-N 345.508 4.204 0 1 EIAF CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2[C@]1(C)CC[C@H](C(C)(C)NC=O)O1 238788023 DODQPAWNEFWWQB-FKAKKMJLSA-N 331.500 4.387 0 1 EIAF O=C(/C=C/c1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccc(F)cc1 587166439 CROXVPJKBSICBP-VAWYXSNFSA-N 335.382 4.233 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c1 587242734 QKJUBUHPJMYCKQ-UHFFFAOYSA-N 333.313 4.131 0 1 EIAF CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587431710 QMTBMTDLROTNCW-VFNWGFHPSA-N 333.387 4.159 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O 587444184 SOKOPWQPHFVPGM-JTSKRJEESA-N 346.382 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cc(C)ccc3n1)CC2=O 587489660 MXJFIVLKEXPNAA-GOSISDBHSA-N 336.391 4.007 0 1 EIAF C[C@]1(c2c[nH]c3cnccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527675 VDVWTEXYYIIFBR-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2)N1 587819335 LTYQGTJDZCKRRP-IAQYHMDHSA-N 334.232 4.406 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587953014 YZBPTCVBRZIOEV-FOGDFJRCSA-N 342.365 4.370 0 1 EIAF FC(F)(F)Oc1ccc(-c2ccn3c(C(F)(F)F)nnc3c2)cc1 653831379 ISFOQZMECBLUGO-UHFFFAOYSA-N 347.218 4.314 0 1 EIAF CCc1ccc([C@]2(c3cccc(C)n3)NCCc3c(C)ccnc32)cc1 963077151 VLQNHBXWLUYKHO-HSZRJFAPSA-N 343.474 4.093 0 1 EIAF CC[C@]1(c2c(F)cccc2F)N[C@H](C)Cc2c(OC)ccc(OC)c21 963630157 BZFWVASABXVVLY-ODXCJYRJSA-N 347.405 4.170 0 1 EIAF O=C(Nc1ccccc1)c1csc(Nc2ccc3n[nH]cc3c2)n1 1857546590 TXLJJEFEYLPCHR-UHFFFAOYSA-N 335.392 4.015 0 1 EIAF COc1ccc(-c2cnc3cnc(-c4cccc(OC)c4F)cn23)cc1 1857587977 LZKNPZKTKTYIRY-UHFFFAOYSA-N 349.365 4.220 0 1 EIAF CN1C=Cc2c([nH]c3ccccc23)[C]1C[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356813651 VCJNOWZJMXUQMS-RXVVDRJESA-N 339.459 4.063 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CO[C@@H](C1)O2 13609190 MBYLQCWDOYEQRA-MJGOQNOKSA-N 325.364 4.002 0 1 EIAF C[C@@H]1CC=C2[C@H](CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O 15158478 WVRDZXWBGHINPN-QLKOVTILSA-N 330.424 4.017 0 1 EIAF COC[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26741828 ZZIPSMYMPYBWER-LSCADSNKSA-N 325.408 4.031 0 1 EIAF Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1 27617571 YZVVGGTZPQAPIC-UHFFFAOYSA-N 327.493 4.439 0 1 EIAF CCCC[C@]12CC[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821510 ADJOEVXWMGPLRU-QZTJIDSGSA-N 335.831 4.063 0 1 EIAF CN(CCCCn1c(=O)oc2ccccc21)Cc1ccc(Cl)cc1 43060542 KXKJGNBXQXAIDJ-UHFFFAOYSA-N 344.842 4.160 0 1 EIAF Cc1nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)ccc2[nH]1 96169293 OHDDDRULDPYJAE-NQIIRXRSSA-N 345.446 4.206 0 1 EIAF Fc1cccc(CNc2nc(N3CCCCC3)nc3ccccc23)c1 141183123 KJDBSFZUINJIOD-UHFFFAOYSA-N 336.414 4.371 0 1 EIAF COc1ccc(-c2cccc(-c3ccc(OC)c(O)c3)n2)c(OC)c1 169312289 MCFYBNCYMSZQFZ-UHFFFAOYSA-N 337.375 4.147 0 1 EIAF O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 169330020 SQZHKXHDHILXPL-UHFFFAOYSA-N 328.437 4.202 0 1 EIAF COc1ccc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc1O 205412796 XUIFLXBXMGEYCQ-AATRIKPKSA-N 326.392 4.491 0 1 EIAF O=C(CCS/C=C/c1ccccc1)NCCSCc1ccco1 219926154 JHWCQUVVQNLKEX-XYOKQWHBSA-N 347.505 4.423 0 1 EIAF Cc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 586988245 NZOKCXMXYUSFFP-UHFFFAOYSA-N 342.354 4.424 0 1 EIAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)on1 586990210 WIDUJJIJAWJJLE-UHFFFAOYSA-N 328.327 4.115 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(F)cc3[nH]2)s1 587014875 SDOPKHPBPUZNFL-VIFPVBQESA-N 335.404 4.240 0 1 EIAF Cc1cncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587075418 IYOYPIZBCUCSHW-MRXNPFEDSA-N 326.831 4.257 0 1 EIAF COC(=O)C[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587108320 ZOMLKEAUWWIVPZ-GFCCVEGCSA-N 343.382 4.039 0 1 EIAF OCc1ccc(F)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587141145 YCHLZJDWQJNFSJ-UHFFFAOYSA-N 328.240 4.019 0 1 EIAF C[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174520 QFOJJMBEVJHUBR-QGZVFWFLSA-N 348.736 4.123 0 1 EIAF Cc1cc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c(C)n1 587224137 FHAHLTDWPUQUFO-MRXNPFEDSA-N 344.459 4.331 0 1 EIAF C[C@@H]1SCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587371393 DGEJORNTJMHAAG-JVMOKEISSA-N 344.407 4.154 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1O)O2 587404136 OABKOEOBOZBQHH-JOCHJYFZSA-N 345.398 4.192 0 1 EIAF CC[C@@]1(c2cccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425944 IPGSSYWITIXELK-YJYMSZOUSA-N 330.330 4.026 0 1 EIAF O=C1C[C@](c2ccccn2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587516262 UXUHLSDTRMGZDL-UNMCSNQZSA-N 349.430 4.000 0 1 EIAF COc1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523389 IRFMMDQXBBMWSA-FQEVSTJZSA-N 338.403 4.289 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](C1CC1)C2 587601254 CJUDVAYCRXWZKI-YMTYPPQLSA-N 336.387 4.303 0 1 EIAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cccc(F)c12 587634350 VOFWSGSXZZSGKY-UHFFFAOYSA-N 338.260 4.174 0 1 EIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587932687 YIMUTWXARCRPQM-BTDLBPIBSA-N 331.778 4.204 0 1 EIAF CCOc1cccc(OCC)c1[C@@]1(C)NCCc2ccc(F)c(C)c21 962142911 HCZGMWVYTQNAAO-NRFANRHFSA-N 343.442 4.341 0 1 EIAF COCCC1([C@H]2c3ccsc3CCN2Cc2cccnc2)CCC1 963007008 JJCBLOKFSRSBND-LJQANCHMSA-N 342.508 4.449 0 1 EIAF COc1ccc(N2C(=O)COc3ccc(-c4ccc(O)cc4)cc32)cc1 1857589075 JOJPMWILWKDCNM-UHFFFAOYSA-N 347.370 4.125 0 1 EIAF CCc1nc2c(O)c(Br)cc(Br)c2cc1C 1857652936 SXLOXIUBIFTHCJ-UHFFFAOYSA-N 345.034 4.336 0 1 EIAF CCCC[C@H](O)CCCCCC[C@H](C=CC(=O)O)Nc1ccc[nH]1 2356773163 SDJJYRRYCKOQMA-SJORKVTESA-N 336.476 4.328 0 1 EIAF COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@@H]2c2ccccc2)cc1 199730142 PYPAEUWILHZGJR-FQEVSTJZSA-N 347.418 4.292 0 3 EIAF CC(C)Sc1nnc(COc2ccccc2)n1Cc1ccccc1 419611 WVNPWXDHLKNDGM-UHFFFAOYSA-N 339.464 4.406 0 1 EIAF CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 6755699 ACAVXDBUABGPBE-SFHVURJKSA-N 342.826 4.436 0 1 EIAF c1ccc(CN2CCC(CCc3ncnc4ccccc34)CC2)cc1 13745757 ZJCILDCILOKWCX-UHFFFAOYSA-N 331.463 4.475 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26483832 IAPLTZHXXFXFMM-QOGIMEQTSA-N 328.452 4.479 0 1 EIAF CCCN(CCc1ccc2ccccc2c1)C[C@@H](O)c1cccnc1 29063726 ZJWSJTMSZQNCIP-JOCHJYFZSA-N 334.463 4.223 0 1 EIAF O=C(O)[C@H]1CC[C@H]2CC(=C(c3ccccc3)c3ccccc3)CCN2C1 29328956 VAKLFDOSONDEFA-SFTDATJTSA-N 347.458 4.448 0 1 EIAF N=C1Sc2cc(-c3ccc4ncccc4c3)ccc2C2=NCCCN12 95574892 CUYCWDBWYOTRJR-UHFFFAOYSA-N 344.443 4.395 0 1 EIAF CCN1CC[C@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 100725793 DSOVZCSZPXGAMI-KSFYIVLOSA-N 332.447 4.200 0 1 EIAF COC(=O)C1=C(c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1O2 101501196 DHGOPWYNAIGSII-GDBMZVCRSA-N 326.417 4.293 0 1 EIAF CNC(=O)[C@H](OC)c1cccc(CSc2cc(C)ccc2C)c1 103184590 KHIITQNONTVXRV-GOSISDBHSA-N 329.465 4.029 0 1 EIAF Cc1cc(N)c2cc(NC(=O)NCc3ccccc3Cl)ccc2n1 103236359 GXMZJYQHWZXWNU-UHFFFAOYSA-N 340.814 4.101 0 1 EIAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21 143476745 LVUYIGJEXDEDQN-ZDUSSCGKSA-N 329.115 4.228 0 1 EIAF Nc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1 167873497 CIPGMACZOBXXKR-UHFFFAOYSA-N 328.375 4.064 0 1 EIAF CC(C)(O)c1cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2o1 238784950 QDJWCDLZZFJZOF-UHFFFAOYSA-N 336.343 4.139 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(F)c(Br)c3[nH]1)C2 586887539 UUWZSSNHHIKEKZ-LPEHRKFASA-N 349.203 4.103 0 1 EIAF c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 586893504 ZQUAXXKTFWBFOF-QVKFZJNVSA-N 332.403 4.096 0 1 EIAF CCc1ccc(-c2nc(-c3nc4ccc(C(N)=O)cc4[nH]3)cs2)cc1 587015709 IPKKHTQOILIRLQ-UHFFFAOYSA-N 348.431 4.015 0 1 EIAF Clc1nccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021131 FPICGEHABZSBHA-UHFFFAOYSA-N 326.812 4.326 0 1 EIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(F)cc2[nH]1)C1CCCC1 587226577 RIGYVIGLWFOQFR-OAHLLOKOSA-N 333.407 4.458 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C=CC[C@H]32)[C@@H]1c1ccc(F)cc1 587353366 OWPIZFGWNDGDTL-OHRXKNJKSA-N 336.362 4.225 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(F)F)cc1)O2 587381162 CJFRYTWMOBNYBH-SFHVURJKSA-N 333.334 4.059 0 1 EIAF CC[C@H](C)Oc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440761 QJNBZOKUMJSYAO-VVUGWJFESA-N 338.403 4.361 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3nc4cc(F)c(F)cc4[nH]3)n1)O2 587873260 FASQZEIWUKFQOA-UHFFFAOYSA-N 328.253 3.939 0 1 EIAF COc1ccc([C@H]2NCCc3ccc(F)c(C)c32)cc1OCC(C)C 962303824 WPWSUFZDOMKPOS-OAQYLSRUSA-N 343.442 4.413 0 1 EIAF CCCC[C@]1(CC(=O)OC)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962942621 FZACWDPTKDSMFC-VBKZILBWSA-N 328.456 4.041 0 1 EIAF COc1ccc(C=CC(=O)O)cc1CC=C(CO)CCC=C(C)C 2356385616 SIABBCBJPCFCLL-UHFFFAOYSA-N 330.424 4.001 0 1 EIAF COc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1 4258446 ICGJWWMYDHGVND-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF CCCCC/C=C\C[C@@H]1O[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O 12496400 SGTUOBURCVMACZ-AYUWUTFTSA-N 336.472 4.399 0 1 EIAF endogenous,in-man CC(C)(Oc1ccc(NC(=N)Nc2ccc(Cl)cc2)cc1)C(=O)O 26399220 NYVRMRYHZKNBKG-UHFFFAOYSA-N 347.802 4.041 0 1 EIAF c1ccc(CCNCCOc2ccc(OCc3ccccc3)cc2)cc1 26505330 YKBMAKCEYMJZBH-UHFFFAOYSA-N 347.458 4.477 0 1 EIAF CN(C)C[C@H](c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1 26733555 DIJHWDLCXYFXRM-MRXNPFEDSA-N 329.406 4.436 0 1 EIAF CCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(CC)CC1 53092925 BRQATYXTWJXGBJ-UHFFFAOYSA-N 340.496 4.083 0 1 EIAF N=C(NCCc1ccc(Cl)cc1)SCCCN1CCCCC1 96939833 IDLZTSAZKAKABD-UHFFFAOYSA-N 339.936 4.016 0 1 EIAF Cc1ccc(NC(=S)Nn2ccnc2-c2ccc(Cl)cc2)cc1 98085663 LTCKGJFJTXDMGG-UHFFFAOYSA-N 342.855 4.452 0 1 EIAF C[C@@H]1C(=O)S[C@@](C)(Cc2cccc(Oc3ccccc3)c2)C1=O 169717824 NVAFOHJQQOQWCN-DJJJIMSYSA-N 326.417 4.259 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C 238763587 KIMUQYZGWWHUDI-AYHUEBJRSA-N 330.424 4.268 0 1 EIAF O=C(O)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F 586895965 DHRCTUZPVMMIBY-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF Cc1c(Br)ccc2nc(CCc3cccc(O)c3)[nH]c12 586897306 ZNEJQATVUICGRU-UHFFFAOYSA-N 331.213 4.125 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586961611 KLQSCEYBNVCYEB-GFCCVEGCSA-N 337.448 4.442 0 1 EIAF O=Cc1cc(Br)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1 586983118 VVMREWRCFWOIQS-UHFFFAOYSA-N 337.123 4.083 0 1 EIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccccc3[nH]2)cs1 587019684 UIQVKDSXHYNIQG-UHFFFAOYSA-N 349.419 4.254 0 1 EIAF Cc1ccc2c(ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c32)n1 587034524 GZBUBJRBXJYRRY-MRXNPFEDSA-N 335.432 4.338 0 1 EIAF Oc1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587160301 AMNYLKJISFDDED-GHMZBOCLSA-N 347.187 4.441 0 1 EIAF COC(=O)c1cccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c12 587171523 NWWMTGLYWZKLAP-NSHDSACASA-N 344.411 4.384 0 1 EIAF CC(C)(C)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2n1 587176822 UEJLVFYGSWFLFB-UHFFFAOYSA-N 335.386 4.192 0 1 EIAF CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 587403803 RBSNDZSLMMMNJY-YLJYHZDGSA-N 329.440 4.041 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCO3)(C(C)C)O2 587406976 GMMJPVZMROUQJO-NRFANRHFSA-N 337.419 4.029 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccn1)CC2=O 587458749 BUMXLNYSEIDKBW-SFHVURJKSA-N 331.799 4.274 0 1 EIAF CCCCn1ccnc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587469816 GGLHORKVGSPYAV-QGZVFWFLSA-N 328.412 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C(C)C)c1C)CC2=O 587477020 SRETVOGETFMBQM-HXUWFJFHSA-N 342.439 4.311 0 1 EIAF COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1F 587629198 FXKIBEKJJAOAMZ-UHFFFAOYSA-N 335.737 4.482 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794171 TVBHKMBBNWHZMB-FVMDXXJSSA-N 337.236 4.102 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3nccc(C)c23)N1 962938929 APTFSRADFPBVFP-RNODOKPDSA-N 330.435 4.366 0 1 EIAF Cn1ccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1C(F)F 963110552 QORMGFKHRLSJNB-YJYMSZOUSA-N 334.385 4.386 0 1 EIAF COc1ccc(F)cc1[C@H]1C[C@@H]1CNCc1cccc2cccnc12 1772607265 BAARVIDDZAGAQJ-AEFFLSMTSA-N 336.410 4.276 0 1 EIAF CCCCC[C@@H](O)[C@@H](O)C=CC=CC=CCC=CCCCC(=O)O 2356388099 RFCYXKNVYQOCTM-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@H](C)[C@@H]2CC[C@@H]34)C1 2356475890 UBWOPONWVXRTKE-WISGCMSASA-N 342.571 4.467 0 1 EIAF COc1ccc2c(c1)O[C@H](c1cccnc1)[C@@H](c1ccccc1)C2=O 13220621 BCPRALJNRUBHRE-PZJWPPBQSA-N 331.371 4.190 0 1 EIAF CN(C)C[C@H]1C[C@@H]2c3cccc(Cl)c3Cc3ccccc3N2O1 13437265 YDCWINJIBUMKOY-AUUYWEPGSA-N 328.843 4.057 0 1 EIAF CCCCCOC(=O)CCCOC(=O)Nc1cccc(Cl)c1 13644447 KBZOLIHNFGIRTL-UHFFFAOYSA-N 327.808 4.402 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 15220430 QSXNOUPYXMWUKT-SZUATMKRSA-N 332.440 4.108 0 1 EIAF in-man Nc1nc2nc(C3CC3)ncc2cc1-c1c(Cl)cccc1Cl 27302566 KBEVKEBZSHXLOE-UHFFFAOYSA-N 331.206 4.458 0 1 EIAF COC(=O)c1c[nH]c(=S)n1[C@H](C)c1ccc(Cl)c(Cl)c1 28351043 XNHZFXUJCAGJII-SSDOTTSWSA-N 331.224 4.248 0 1 EIAF COc1ccc(-c2cc(NCCN(C)C)c3ccccc3n2)cc1F 28641436 PNCKIOYMUIWPGH-UHFFFAOYSA-N 339.414 4.023 0 1 EIAF CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c(C(=O)O)c1O 29042023 ZGFQJNBMOZVGKO-XYOKQWHBSA-N 348.395 4.070 0 1 EIAF Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[nH]1 45364151 ZZLFLBZLGVMNAM-UHFFFAOYSA-N 328.375 4.064 0 1 EIAF Cc1ccc(Cc2cnc(N3CCCCCC3)c(C)c2)c(C(=O)O)c1 96173343 OBOXHFUSOLBOPQ-UHFFFAOYSA-N 338.451 4.368 0 1 EIAF Nc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3)cc1OC2 103273336 SXOJJAOMYAWFNA-UHFFFAOYSA-N 334.350 4.275 0 1 EIAF Cc1coc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12 144265314 NUDOBSZFPOVNGV-UHFFFAOYSA-N 333.391 4.460 0 1 EIAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3Cl)oc2c1 168937782 AVOXCXYJRMKHIM-JTQLQIEISA-N 339.782 4.008 0 1 EIAF CC1(C)[C@H]2C[C@](C)(O)[C@@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)C[C@H]21 169546823 VTOLOYGWYKBTJJ-STIQRDMDSA-N 338.557 4.091 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C 257501578 OFNWUWHDGCNABD-WPAMHUCSSA-N 346.511 4.489 0 1 EIAF endogenous,in-man CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C)c(Cl)cc2[nH]1 586882476 VAPNOVUYZMRUNO-UHFFFAOYSA-N 340.810 4.453 0 1 EIAF COc1cc(/C=C\c2nc3c(C)ccnc3[nH]2)ccc1Br 586978252 YJGLBJYTJQTOOL-XQRVVYSFSA-N 344.212 4.208 0 1 EIAF Nc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N 587050005 NYHLGXMDLVFEIQ-HTQZYQBOSA-N 333.222 4.305 0 1 EIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587069285 HSNGMCOSJNVLNS-OAHLLOKOSA-N 339.870 4.380 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3)nc1)O2 587394301 TVJQTHIEYUTQIC-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)nc1C)CC2=O 587489675 VKLQQWYTSFTYTR-HXUWFJFHSA-N 325.408 4.237 0 1 EIAF Cc1ccoc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614584 CXGRMUQHRPNNKF-JXFKEZNVSA-N 336.343 4.171 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cc(C)cnc4[nH]3)c2)cc1O 587785552 BOAAODCVUCDQMM-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF Cc1ccc(C)n1-c1cc(Br)cnc1Br 587940781 PKHVQLCZQQVCCQ-UHFFFAOYSA-N 330.023 4.014 0 1 EIAF CN1Cc2c(-c3ccncc3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772651866 QOVCDHQALDDWQV-UHFFFAOYSA-N 330.366 4.381 0 1 EIAF COc1c(C)[nH]c2ccc3c(c2c1=O)[C@H]1CCC[C@@]3(c2ccccc2)O1 2356393670 PKYCMYNWURXMPV-VGSWGCGISA-N 347.414 4.344 0 1 EIAF CC[C@H](C(=O)NC1CCCC1)n1c(-c2ccncc2)nc2ccccc21 199235586 KWDLFVSTSXGMAY-GOSISDBHSA-N 348.450 4.108 0 3 EIAF O=C1C(Nc2ccccc2)=C[C@@H](c2cccnc2)N1c1ccccc1 211058189 ANEWOUNWFQEZHU-FQEVSTJZSA-N 327.387 4.166 0 3 EIAF Cc1cc(C)n2c(Nc3ccccc3C)c(-c3cccnc3)nc2n1 4903221 GQKKTYRFWGVSHQ-UHFFFAOYSA-N 329.407 4.460 0 1 EIAF c1ccc2c3c([nH]c2c1)[C@@H]1[C@@H]2CCCCN2[C@@H](c2ccncc2)N1CC3 19339309 OIROQHWNXZSXST-ILWGZMRPSA-N 344.462 4.029 0 1 EIAF O=C1Cc2ccccc2N1CCCCN1CCC(c2ccccc2)CC1 40951729 KHDJJPKYJGGNDX-UHFFFAOYSA-N 348.490 4.236 0 1 EIAF CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21C=CC(=O)O1 43206069 INHWHLPFIVXVHK-TVASPAASSA-N 340.463 4.370 0 1 EIAF CCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c1cccc(O)c1 45368620 GMIYRMGIWWCELH-OAQYLSRUSA-N 334.419 4.066 0 1 EIAF CCCc1nc(-c2ccccc2)sc1-c1cc(C(=O)OCC)[nH]n1 49050743 QWCGFORBMJHQOF-UHFFFAOYSA-N 341.436 4.329 0 1 EIAF Cn1c([C@@H]2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21 49070826 QOHYKYMEPUDPBV-FQEVSTJZSA-N 343.386 4.148 0 1 EIAF O=C(Nc1cccc(Br)c1)Oc1ccc2c(c1)CCCN2 64553920 RXGZWYKZEHXFRL-UHFFFAOYSA-N 347.212 4.418 0 1 EIAF CN1CCN(CC2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1 66066010 FSYUMFOIUHBSHI-UHFFFAOYSA-N 341.326 4.443 0 1 EIAF COc1cc(C(=O)c2cccc(-c3ccccc3)n2)cc(OC)c1OC 72118039 RWOAXYCFOQVYLQ-UHFFFAOYSA-N 349.386 4.005 0 1 EIAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccccc2)s1 82162736 GEBPHNKPWVDSSO-UHFFFAOYSA-N 336.464 4.430 0 1 EIAF CC1(C)[C@@H]2C[C@H](Sc3nnnn3-c3ccccc3)[C@](C)(Cl)C[C@H]21 105509882 OQEQNRBNOUUEML-VWPFQQQWSA-N 348.903 4.187 0 1 EIAF CC(C)(C)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 169352818 WTNDOSZGNAWZFK-UHFFFAOYSA-N 326.348 4.049 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(C)=O)[C@H]1c1ccc2ccccc2c1 169723405 AXZLHNLDQQCYLB-TZIWHRDSSA-N 349.430 4.440 0 1 EIAF COC(=O)[C@H]1[C@@H](c2cccc(-c3ccccc3)c2)C[C@H]2CC[C@H]1N2C 253691560 GDTWDHOANPFJQI-NCYKPQTJSA-N 335.447 4.093 0 1 EIAF Cc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C 587233689 TVDKOKHBUJCOHA-UONOGXRCSA-N 329.444 4.341 0 1 EIAF COC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587243040 BTYFANQHXKUEBA-UHFFFAOYSA-N 335.285 4.427 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c4ncccc4c1)[C@@H](C2)C3=O 587435099 BXFPIJXEWNQNEB-KKSFZXQISA-N 331.371 4.041 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)[nH]1 587588440 KPPIHPAIIPOBSC-PXNSSMCTSA-N 335.359 4.040 0 1 EIAF O=C(O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 587921817 ANCBOKQIRDMWQU-ZROIWOOFSA-N 341.363 4.280 0 1 EIAF C[C@@H]1CC=CC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587967713 REEPWDOTLWGVRI-HTQZYQBOSA-N 326.625 4.444 0 1 EIAF C[C@@H]1C[C@H]1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955207 KCWLNHCRXCTELU-XHBSWPGZSA-N 325.374 4.054 0 1 EIAF Oc1ccc2c(c1)[C@@]1(CCCOc3c1ccc1ccccc31)NCC2 963344163 ZTOXZVAKUWNRST-QFIPXVFZSA-N 331.415 4.107 0 1 EIAF CCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O 1857651428 DQWLINYOOKNKGU-UHFFFAOYSA-N 343.298 4.074 0 1 EIAF CCCCCC=CCC=CCC=CC[C@H](O)[C@H](O)CCCC(=O)O 2356432598 GFNYAPAJUNPMGH-RBUKOAKNSA-N 338.488 4.382 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@H]2CC[C@H]34)C1 2356599875 PHZBMHANCWAUSO-QQEKQYBASA-N 328.544 4.127 0 1 EIAF Cc1cccc(CNc2ncncc2-c2ccccc2CN(C)C)c1 4265243 MJUDQDHXCQONOA-UHFFFAOYSA-N 332.451 4.126 0 1 EIAF O=C1CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc2N1 13651908 ZWWZTFYQCITUTK-UHFFFAOYSA-N 339.609 4.436 0 1 EIAF CC1(C)C=Cc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O1 15119491 GPXYBBZISZKRAH-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF biogenic,in-vitro COc1cc2c(c3c1C(C)(C)[C@H](C)O3)C(=O)C[C@H](c1ccccc1)O2 49070404 OOMCQCKTKDWACK-SWLSCSKDSA-N 338.403 4.460 0 1 EIAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CC(=O)O)cc1 84713468 TZMZAUXZZJBELT-OAHLLOKOSA-N 336.435 4.471 0 1 EIAF Clc1ccccc1-c1nnc(/C=C/c2ccc3c(c2)OCO3)o1 96284416 JRECYCSKLKEGLF-SOFGYWHQSA-N 326.739 4.289 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100824313 QSXNOUPYXMWUKT-AHBXKFNQSA-N 332.440 4.108 0 1 EIAF endogenous,in-man CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 101680303 SGXKUDSIRVCXTR-UAPYVXQJSA-N 340.511 4.399 0 1 EIAF CC/C=C\C/C=C\C[C@H](O)[C@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC 169371082 QXHLHGKKWDCOOY-BWZNZZBUSA-N 348.483 4.263 0 1 EIAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 202972695 FGXZPRXFLNGHFB-ZHHKINOHSA-N 349.474 4.475 0 1 EIAF c1ccc(C[C@H]2N[C@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 587040621 IMOKPADNSZBLAH-ROUUACIJSA-N 346.459 4.057 0 1 EIAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc4ncccc4c3[nH]2)c1 587050024 LSAQSSYCKIZLCU-UHFFFAOYSA-N 336.782 4.390 0 1 EIAF CC(C)Oc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587125255 DCBZIXKGYGLGAL-UHFFFAOYSA-N 342.361 4.290 0 1 EIAF Oc1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587160303 AMNYLKJISFDDED-QWRGUYRKSA-N 347.187 4.441 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 587242306 RUQWKPTXGRLKJW-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H](C)CC)CC2=O 587480405 JNLKOJXKPIFFEV-RNODOKPDSA-N 348.439 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(COCC)s1)CC2=O 587492616 BBHAQMJAJWXHMF-HNNXBMFYSA-N 347.436 4.044 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3sccn13)CC2=O 587499339 MEEOHTBXLSCIFJ-HNNXBMFYSA-N 342.420 4.069 0 1 EIAF O=N[C@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587502931 GPDIICIJHXVOHU-FPOVZHCZSA-N 333.387 4.117 0 1 EIAF CCOC(=O)C[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520972 BZJKYLUUOJUOJL-BTYIYWSLSA-N 342.435 4.023 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccccc12 587602507 IHDVBLNRDQMCRK-DENIHFKCSA-N 344.366 4.196 0 1 EIAF CCOc1ccccc1OCc1nc2ccc(Br)cc2[nH]1 587780736 ZTKFIDIRKYTKHO-UHFFFAOYSA-N 347.212 4.303 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]ccc32)N1 587802355 LQIZLJKLYOXSGR-BMLIUANNSA-N 349.247 4.030 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3cc(OC)ncc3[nH]2)cc1 587938119 SQNMLUOPSWVHMN-FQEVSTJZSA-N 345.402 4.155 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@H]2CCOCc1ccccc1 963269878 LSUPTRYJTJBSGJ-QGZVFWFLSA-N 331.843 4.142 0 1 EIAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2cccc(F)c2)N1c1ccc2nc[nH]c2c1 1772605935 AXGOBNZDSAVKKO-HLIPFELVSA-N 345.377 4.148 0 1 EIAF CC(C)=CCC[C@H](CCCC(C)=CCCC(=CCO)CO)C(=O)O 2356533974 VMPCSQZZXPUVEG-LJQANCHMSA-N 338.488 4.241 0 1 EIAF CC(C)C1=C(O)C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@H]1O 2356584556 IUGOAYHOVCGSAZ-CHGCTZGBSA-N 334.456 4.063 0 1 EIAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@@]21C 2356747440 UINDYEKBRZRPSX-LPCQMJKOSA-N 332.484 4.469 0 1 EIAF C[C@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccccc3nn21 206061653 AWBQVCZWSVCOSY-VIFPVBQESA-N 345.233 4.337 0 3 EIAF CSc1ccc(NN2C(S)=N[C@@H](C)[C@H]2c2ccccc2)cc1 29332021 RGIDQVFRBZHVPG-LRDDRELGSA-N 329.494 4.467 0 1 EIAF O=C(Cc1ccc(Cc2cccs2)cc1)Nc1cc(C2CC2)[nH]n1 40951486 UDRMFMIAECLEDA-UHFFFAOYSA-N 337.448 4.121 0 1 EIAF Cc1ccccc1C(=O)NC(=O)NC1c2ccccc2-c2ccccc21 43065455 IHFCDRBAHLLQTD-UHFFFAOYSA-N 342.398 4.204 0 1 EIAF C[C@]1(c2ccccc2)CCCN(C(=O)Nc2noc3ccccc23)C1 49021069 RECUJGQMLDHPOK-FQEVSTJZSA-N 335.407 4.413 0 1 EIAF CC(=O)Nc1ccc(Oc2ccc(CN3CCCC3)cc2F)cc1 67935296 DRWNWJOGPJFHCN-UHFFFAOYSA-N 328.387 4.172 0 1 EIAF COC(=O)c1ccc(Sc2c(C(=O)O)[nH]c3cccc(C)c23)cc1 95580731 WEDROMYEGIOBHY-UHFFFAOYSA-N 341.388 4.112 0 1 EIAF Cc1cc(C)c2ccc(=O)n(CCN3C(C)(C)CCCC3(C)C)c2n1 169336348 RYIIUGUFAKFLGV-UHFFFAOYSA-N 341.499 4.056 0 1 EIAF C[C@]12CCC(=O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C[C@H]3CN3)CC[C@H]12 253645678 MFWABCGQFDBVQU-DZOPFTPRSA-N 327.512 4.496 0 1 EIAF OCc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586894659 AKEBDLAYIQXRBQ-UHFFFAOYSA-N 342.704 4.274 0 1 EIAF Cc1cc(Br)cc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586895510 KOLVPJFTEKSXTR-UHFFFAOYSA-N 349.272 4.218 0 1 EIAF CO[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992786 UKVHAODZPQOIOU-INIZCTEOSA-N 331.371 4.176 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 587059841 ZSYFXBXIKXSDOE-JTQLQIEISA-N 341.629 4.161 0 1 EIAF Cc1cc(F)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587080687 SLIHVQNRLDLKCJ-AWEZNQCLSA-N 342.805 4.388 0 1 EIAF Nc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1N 587144693 BZBNRASCWQOLJE-UHFFFAOYSA-N 336.345 4.340 0 1 EIAF O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O 587207518 MJERUOCEBJQSIP-BZNIZROVSA-N 325.367 4.065 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2cc(F)cc(F)c2[nH]1 587229567 YXSUXHFGKFJJNE-UHFFFAOYSA-N 331.366 4.203 0 1 EIAF Clc1nccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232661 YJWOQQQYQNOUEO-UHFFFAOYSA-N 338.798 4.161 0 1 EIAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(-c2ccccc2F)cc1 587368472 QLDOMBHAAAIUAP-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF CCOc1ccc(OCC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399127 IDOOXODAHCGFRD-LJQANCHMSA-N 341.407 4.081 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418538 JAGGKZYRSDBWBV-SJCJKPOMSA-N 335.186 4.491 0 1 EIAF O=C1C[C@H](c2cccc(-n3ccnc3)c2)Oc2c1ccc1c2CCCC1 587515630 MTHGUZRDTULLTJ-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF Cc1cc(Cl)cc2c(-n3cccnc3=O)c(-c3ccccc3)[nH]c12 587627204 PRFFRSPLUVGCKV-UHFFFAOYSA-N 335.794 4.343 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)o2)N1 587706898 SKXSMUVDFVGOGA-UOWDBTKRSA-N 344.611 4.458 0 1 EIAF Clc1ccc(Cn2cc(COc3ccc(Cl)cc3)nn2)cc1 653786030 XQGLRMYTNLZIEO-UHFFFAOYSA-N 334.206 4.212 0 1 EIAF CCN(CC)C(=O)c1cc2sccc2n1Cc1ccc(OC)cc1 653793981 VAOOLMZTFAYDOE-UHFFFAOYSA-N 342.464 4.242 0 1 EIAF O=C(COc1cc2ccccc2oc1=O)c1ccc2ccccc2c1 653811100 JQIWSJJHKSZFPG-UHFFFAOYSA-N 330.339 4.208 0 1 EIAF Cc1cc(C)c([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c(O)n1 963105103 HISUTHPTPPLFOH-KRWDZBQOSA-N 337.250 4.120 0 1 EIAF CN1CCc2c(Br)cccc2[C@]12CCC[C@@H]2CCF 963280093 MDVRLOHDCZDNKH-MLGOLLRUSA-N 326.253 4.292 0 1 EIAF O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccccn1 180009 FCEGGCGVXJLBJS-AWEZNQCLSA-N 325.220 4.167 0 3 EIAF O=C(O)CCC/C=C/C[C@H]1[C@H]2CO[C@H](C2)[C@@H]1COCc1ccccc1 26008364 NSSQPXZFZSRNSJ-HDDSPCROSA-N 344.451 4.056 0 1 EIAF CCCCCc1ccc([C@H](c2ccns2)N2CCN(C)CC2)cc1 28250025 VZYNRRAIIQXQBP-HXUWFJFHSA-N 343.540 4.213 0 1 EIAF CN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 34801217 ZTSSPWOMQLQKPF-PJOLERSMSA-N 329.484 4.134 0 1 EIAF COc1cccc2c1N[C@@H]1[C@@H](Cc3cccc4ccccc34)NCC[C@H]21 40460478 MDJXRHFEZCHQBQ-SJBKTWHCSA-N 344.458 4.331 0 1 EIAF COc1cc(-c2cccc3c(N)c(OC)ccc23)cc(OC)c1OC 84636003 WKIRXBKQRDAZJK-UHFFFAOYSA-N 339.391 4.123 0 1 EIAF CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 100958514 XLFWHXZCZSUEDV-VZAMPYOESA-N 342.266 4.123 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@@H]4CO 103110022 GEFQRLYWKLCBRW-MWCZKYKFSA-N 332.484 4.101 0 1 EIAF Nc1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1cccc(Cl)c1 103215256 XHMLEEIXVWPIOQ-UHFFFAOYSA-N 332.190 4.241 0 1 EIAF Cc1ccncc1N1CC(C)(C)N(c2ccc3ncsc3c2)C1=O 149430286 SHGNERDGXZEUBB-UHFFFAOYSA-N 338.436 4.225 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](C(=O)O)C3 299832498 HITLMPHPGUZLGI-QJNFORGASA-N 334.456 4.185 0 1 EIAF Fc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1Br 587090052 LEIHOAMDBZQQHJ-MRVPVSSYSA-N 349.484 4.388 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccncc3)cc1)O2 587394893 KZAQYZOZZFEOGX-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1OCC1CC1)O2 587398594 FTFPFMQVDPAQQQ-HXUWFJFHSA-N 337.419 4.381 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(C)C)c1)[C@@H](C2)C3=O 587440790 AZCSCCHHBBSQDM-KKSFZXQISA-N 338.403 4.316 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cnc1Cl)CC2=O 587470233 FQKKYRRKYNTYIR-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF CO[C@@H]1[C@@H](C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587524115 NIGXRYKYSOYHOL-DYHNYNMBSA-N 326.436 4.104 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587772602 OOJWNSAUBVTKPV-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3ccc(F)c(F)c3[nH]2)CC1 587970471 HYKFNPXRRZIOFG-UHFFFAOYSA-N 326.346 4.270 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1c[nH]c2ncccc12 962369349 CYUGJJSSKITTDG-IBGZPJMESA-N 348.475 4.111 0 1 EIAF Fc1ccc2nc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)[nH]c2c1 963124563 RMBHSVGILQYOAH-OAHLLOKOSA-N 336.197 4.244 0 1 EIAF C[C@]12CC[C@@](c3ccccc3)(O1)[C@H]1C=C[C@H](OC(=O)c3ccccc3)[C@H]12 1857600511 HMMLANINKRBPOP-JQZONJITSA-N 346.426 4.492 0 1 EIAF NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1 13862358 NXPULJKXDBZNKI-UHFFFAOYSA-N 334.853 4.341 0 1 EIAF Cc1nccn1-c1csc(Nc2cccc(Br)c2)n1 35049906 ANCULMPORQFVIW-UHFFFAOYSA-N 335.230 4.143 0 1 EIAF Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1 71295225 LPLSBZHUNYOLMU-UHFFFAOYSA-N 338.260 4.107 0 1 EIAF CSc1nn(-c2cccc(C)c2)c2cc(C3=CCNCC3)ccc12 72178275 NOQBAUMSUUEQPE-UHFFFAOYSA-N 335.476 4.433 0 1 EIAF CCOc1cccc(-c2nc(CNCc3cccc(OC)c3)co2)c1 72185438 JMWQMAHNRMSQPO-UHFFFAOYSA-N 338.407 4.039 0 1 EIAF Fc1ccc(-c2cc(NCCc3ccccc3F)ncn2)cc1F 82161601 OPWSJSHRYCBEEG-UHFFFAOYSA-N 329.325 4.216 0 1 EIAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccco2)oc1C 82165459 KHWACSCWOPJHAK-UHFFFAOYSA-N 326.400 4.101 0 1 EIAF COc1ccc(/C=C(/C(=O)O)c2cccc3ccccc23)cc1OC 95591469 DJWXBOBUQRISCA-LDADJPATSA-N 334.371 4.482 0 1 EIAF O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 101644900 ZVQCTZVWEBSXKK-WKCHPHFGSA-N 335.447 4.082 0 1 EIAF in-vitro C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372167 ZDXVLUHOOVYRHN-LMGDUAQNSA-N 342.479 4.410 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238766498 UBSPYRWVKFNYNH-FXOXCMJQSA-N 330.424 4.028 0 1 EIAF COc1cc(O)c2c(=O)[nH]c(-c3ccccc3)cc2c1CC=C(C)C 238788333 HWBXTTVDWFPLBR-UHFFFAOYSA-N 335.403 4.418 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586881354 WVRIBSDBUOTNLV-WAYWQWQTSA-N 334.162 4.030 0 1 EIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586884626 VMGANVHBDMFOJB-UHFFFAOYSA-N 340.448 4.291 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 586909522 FHMQJAHJTVMIGQ-GZMMTYOYSA-N 327.197 4.137 0 1 EIAF OCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033583 XTMDWTAPFAYMNV-UHFFFAOYSA-N 335.432 4.063 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587088791 RRTZAMXRPOAGMZ-ZCFIWIBFSA-N 333.169 4.014 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 587112887 IAMLAJDITHQSKY-MRVPVSSYSA-N 340.736 4.323 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Cl)ccc3n1C)O2 587380252 RSXZEZKYBKCZRN-SFHVURJKSA-N 340.810 4.429 0 1 EIAF COc1ccc2c(c1)CCCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587402794 HXDCPZLPTDDLPM-NRFANRHFSA-N 337.419 4.173 0 1 EIAF COc1ccc([C@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403639 PFYGBMDTDXRDOY-RBZFPXEDSA-N 325.408 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)nc1)CC2=O 587468489 XVXAUUGOVBQOET-HNNXBMFYSA-N 349.333 4.048 0 1 EIAF COC(=O)c1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533229 VKQBSQYKWNVEHT-MRXNPFEDSA-N 342.416 4.120 0 1 EIAF CCc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585779 GDPRULUMLKCTPW-RXVVDRJESA-N 347.370 4.053 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587785928 POYCZFNHHJRFNR-JKSUJKDBSA-N 343.386 4.055 0 1 EIAF CC(C)[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818505 DZAQKDMJKWTZRA-RSAASHCRSA-N 326.253 4.384 0 1 EIAF OCCc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956341 XMKHDILTXXZZTF-HXUWFJFHSA-N 342.442 4.472 0 1 EIAF COc1ccc2c(c1)[C@]1(CCc3cccc(F)c31)N(C(C)C)CC2 962095537 UYEMTUGNCOOFNI-NRFANRHFSA-N 325.427 4.291 0 1 EIAF COC(=O)C(C)(C)c1ccc(CCc2ncc(CC(C)(C)C)[nH]2)cc1 1857549208 OHEPOEYICKVGHD-UHFFFAOYSA-N 342.483 4.234 0 1 EIAF COc1cccc2c1N[C@H]1[C@@H](Cc3cccc4ccccc34)NCC[C@H]21 26662141 MDJXRHFEZCHQBQ-KCZVDYSFSA-N 344.458 4.331 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801407 YUEVEZWXYBGVTF-NNOYNIJSSA-N 345.527 4.301 0 1 EIAF CN(CCCCn1c(=O)oc2ccccc21)Cc1ccccc1Cl 43122235 IVLDOJSUMBBCAS-UHFFFAOYSA-N 344.842 4.160 0 1 EIAF CCN(CC)CCCCNCCNc1ccnc2cc(Cl)ccc12 45349638 YOMGMLFBPNZCCV-UHFFFAOYSA-N 348.922 4.012 0 1 EIAF CN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 55669664 ROZBXXFOBQMJQB-UHFFFAOYSA-N 346.386 4.394 0 1 EIAF CN1CCC2(CC1)C(=O)c1cc(Cl)ccc1Oc1ccccc12 60051775 OGVJZNVTKCFXEU-UHFFFAOYSA-N 327.811 4.292 0 1 EIAF Cc1ccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)cc1 72101460 FUMCGDZTNFEFCB-HXUWFJFHSA-N 347.462 4.014 0 1 EIAF Fc1cc(F)c(CSc2ccc(-c3ccccn3)nn2)c(F)c1 72124554 XMOGZZGLIDNXBB-UHFFFAOYSA-N 333.338 4.248 0 1 EIAF CSc1ccc([C@@H](O)c2nnc(Nc3ccccc3C)s2)cc1 82078306 VIJAVAPSQJMFFI-OAHLLOKOSA-N 343.477 4.394 0 1 EIAF OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(Cl)cc1 84729973 PXJQXEQFTLKFQP-UHFFFAOYSA-N 343.835 4.459 0 1 EIAF CCCOc1ccc(C(=O)Nc2cccc(N3CCCCC3)n2)cc1 96273381 LAGYHIIWMHWNJA-UHFFFAOYSA-N 339.439 4.113 0 1 EIAF CCN(CC)CCS[C@H](C(=O)OCC=C(C)C)c1ccccc1 96908934 AFRNYKHUZYGINS-SFHVURJKSA-N 335.513 4.312 0 1 EIAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](c2ccncc2)C1 96935106 DCFYEFKUQOMKBD-LBPRGKRZSA-N 336.222 4.410 0 1 EIAF O=C(O)CCCCCCCCCOc1cc(=O)[nH]c2ccccc12 238736213 MECLHJQVRDWMSJ-UHFFFAOYSA-N 331.412 4.112 0 1 EIAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC(=O)[C@@H]1O[C@@]12C)CC(=O)O 238752507 ZFGPKQGSVQZRJR-FIPLFRMOSA-N 336.472 4.066 0 1 EIAF COc1cc2c(c(OC)c1OC)[C@@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@]31C 299859327 XARRBGSEIVYBJW-LUNSWOAPSA-N 344.451 4.490 0 1 EIAF Cc1ccc(-c2cnc(C3(NCC4CCOCC4)CCCC3)[nH]2)cc1 473088660 JBKWSUCULYSHFH-UHFFFAOYSA-N 339.483 4.171 0 1 EIAF COc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Cl 587127291 VMQJGSKBJUFFGQ-UHFFFAOYSA-N 348.752 4.165 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)cc1N)CC2=O 587468157 BMPBMLGLQIZYKP-FQEVSTJZSA-N 325.408 4.116 0 1 EIAF Nc1ccc2c(c1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510612 MCYBPPSISIZESA-QFIPXVFZSA-N 333.431 4.345 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(Sc4ccccc4)cc3)nc2n1 587564104 ZGEOTCZDVHQWNW-UHFFFAOYSA-N 347.399 4.254 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1c(Cl)cc(F)cc1Cl 587651180 FEVYZIPDZGPWKS-UHFFFAOYSA-N 343.572 4.485 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]ccc32)N1 587802356 LQIZLJKLYOXSGR-BTDLBPIBSA-N 349.247 4.030 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831681 XWAWVPFMOFLJGA-JDNHERCYSA-N 338.220 4.287 0 1 EIAF CC/C(=C\c1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 587967971 QPIKSSHFDGDIHP-DHZHZOJOSA-N 343.228 4.326 0 1 EIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](C2CCCCCC2)N1 962981548 VEAOIVJSIGJDNI-CZUORRHYSA-N 343.801 4.229 0 1 EIAF Cc1ccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)cc1 1772592183 AWVMTWIVCOHCCI-UHFFFAOYSA-N 334.427 4.488 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 1857621851 LZCICCXBBYHFCF-LAYRKEKYSA-N 346.511 4.164 0 1 EIAF CCOc1ccc2nc(N[C@H]3OCCc4ccccc43)sc2c1 1857640719 QYVFGJGMXXNOQU-KRWDZBQOSA-N 326.421 4.378 0 1 EIAF CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1 1857643465 JSRJKSWBGDRGCG-UHFFFAOYSA-N 344.458 4.500 0 1 EIAF C[C@]12Cc3conc3C[C@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 13362205 NSYTUNFHWYMMHU-GXOPVLEYSA-N 329.484 4.383 0 1 EIAF Cc1cc([C@H](O)[C@H]2CCCCN2)c2cc(Cl)cc(Cl)c2n1 27523743 QIXTUMJGEJXBCI-ZBFHGGJFSA-N 325.239 4.026 0 1 EIAF Fc1ccc([C@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 45290584 ZFLAGWPSGMOXBW-HXUWFJFHSA-N 347.437 4.279 0 1 EIAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3Cl)C2)cc1 62213089 WBIYJTYWWQSTGB-GOSISDBHSA-N 328.799 4.046 0 1 EIAF COc1cccc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)c1 66099169 XCPQNWDCNUOCSA-GZTJUZNOSA-N 341.455 4.485 0 1 EIAF Cc1c(Cl)ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587034724 KDSILASGLWYGLD-UHFFFAOYSA-N 345.855 4.005 0 1 EIAF Clc1c[nH]c2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2n1 587050647 QIKCTEGNGWWCIJ-UHFFFAOYSA-N 330.178 4.069 0 1 EIAF Cc1c(F)ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077308 VKFRSNZYDIOQRI-HNNXBMFYSA-N 329.762 4.281 0 1 EIAF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)nn1-c1ccccc1F 587156838 SQUPIJVUIKHIGP-UHFFFAOYSA-N 342.761 4.217 0 1 EIAF CCOc1ccc(Cl)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587379098 SKJXJIBGJFXLAZ-QGZVFWFLSA-N 331.799 4.336 0 1 EIAF O=C1C[C@](c2cncc(F)c2)(C2CC2)Oc2c1ccc1c2CCCC1 587506332 JVZGYZHLGDPKDN-OAQYLSRUSA-N 337.394 4.370 0 1 EIAF O=C1C[C@]2(CCNc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587509605 SVHAPEDWMQSEOF-NRFANRHFSA-N 337.394 4.381 0 1 EIAF COc1cc(C2(c3nc4cc(C(F)(F)F)cnc4[nH]3)CC2)ccc1C 587926499 HYCYMWSQNAZMTG-UHFFFAOYSA-N 347.340 4.374 0 1 EIAF COc1c(Cl)cc(Cl)cc1CNc1ccc(C(=O)O)c(O)c1 653723932 QVDNVCROWSVALU-UHFFFAOYSA-N 342.178 4.018 0 1 EIAF Cc1cc2c(cc1F)[C@@]1(NCC2)c2ccccc2Oc2ncccc21 962296221 FPRIABFBPVAADI-OAQYLSRUSA-N 332.378 4.072 0 1 EIAF Cc1c(F)ccc2c1[C@@](C)(Cc1cc(Cl)cnc1Cl)NCC2 962376805 QREMGLMUUYGGSM-QGZVFWFLSA-N 339.241 4.440 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1c[nH]c2nccc(Cl)c12 963110165 QPPRZXUJOWRKFS-SCLBCKFNSA-N 341.817 4.465 0 1 EIAF Nc1nc2c(c(C(F)(F)F)n1)C1(CCCCC1)Oc1ccccc1-2 1772576898 YUVRAJFPYXMSDU-UHFFFAOYSA-N 335.329 4.296 0 1 EIAF FC(F)(F)c1ccc(Nc2cc3nc(CC4CC4)[nH]c3cn2)nc1 1857755138 LALVNIKOVYAZRZ-UHFFFAOYSA-N 333.317 4.068 0 1 EIAF CCC(=O)CCCC=Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)CC 2356478507 GYOMIJITDLAXLJ-ZDUSSCGKSA-N 334.412 4.216 0 1 EIAF COc1c(C)c(OCC=C(C)CCC=C(C)C)cc2c1[C@@H](O)OC2=O 2356807410 WIJVPUYDKZTGKO-FQEVSTJZSA-N 346.423 4.236 0 1 EIAF Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3Cl)CC2)cc1 13814487 QMFFGHVNSGLLRV-SJLPKXTDSA-N 344.861 4.405 0 1 EIAF CCC[C@@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCCC1)C(=O)O 28640160 KPRMIIXESGBWDG-KSZLIROESA-N 343.467 4.110 0 1 EIAF Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1C=N2 29571445 IRCVEKHNWJQOEK-ZFWWWQNUSA-N 327.815 4.208 0 1 EIAF CCO[C@@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O 40950935 OITZSTNPUSTLET-IBGZPJMESA-N 337.375 4.041 0 1 EIAF CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1 40957552 JXICFBPVMKMPAU-UHFFFAOYSA-N 326.488 4.398 0 1 EIAF CCCO[C@@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C 49793170 QNSBKYJIWTUIDR-WSXQUGQNSA-N 332.440 4.310 0 1 EIAF COc1cc(F)c2nc(C)c3c(C)nc(-c4ccncc4C)n3c2c1 73159455 KNPRYLFUIRHVFZ-UHFFFAOYSA-N 336.370 4.017 0 1 EIAF CC(=O)C[C@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(F)cc1 103176590 IJVNBZLPBLFYRW-IBGZPJMESA-N 348.381 4.098 0 1 EIAF CC[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103179495 UECCMHQWKSPAAL-MRVPVSSYSA-N 331.363 4.266 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OCCCO)CC[C@]34C)[C@@H]1CCC2=O 118920117 JCTUZDRNOMUUPE-JCNKSZRGSA-N 348.527 4.366 0 1 EIAF Cc1ccc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144419723 JPGAWVNWKYEBGZ-UHFFFAOYSA-N 332.403 4.051 0 1 EIAF C[C@@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 169336330 YXIXITUSOJUAND-VZXMROHQSA-N 330.424 4.305 0 1 EIAF COCCn1cc(-c2ccc3c(c2)CC[C@H]3N=O)c(-c2ccncc2)n1 169686109 LWGIVTHVQPXLQY-LJQANCHMSA-N 348.406 4.012 0 1 EIAF c1ccc(Cn2nccc2-c2nc3cccnc3n2C2CCCC2)cc1 299830998 ZQLKEANZAQCGEM-UHFFFAOYSA-N 343.434 4.458 0 1 EIAF CC(C)(C)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1 299833708 VYUAOEKDDVVKON-UHFFFAOYSA-N 335.451 4.059 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)c(F)cc2[nH]1 586916361 LQWCUQPWPMCGNM-VLIAUNLRSA-N 338.382 4.227 0 1 EIAF OCCc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145878 UHHLWWHYNWIQDG-UHFFFAOYSA-N 346.405 4.495 0 1 EIAF Cc1ccc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc1F 587146772 VZIDKJUPDAHPCP-PLNGDYQASA-N 332.176 4.338 0 1 EIAF COc1cncc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587162708 IECRFNDRDMBTGF-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cnn1CC)CC2=O 587462817 QUHTVBXEAYGPRJ-GOSISDBHSA-N 348.830 4.095 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CCC)c1C)CC2=O 587475345 MNUAKFJOKPAPCC-SFHVURJKSA-N 342.439 4.275 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2F)N1 587730727 XVSHIQIVESYVOZ-ABKXIKBNSA-N 338.195 4.351 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)cc(C)c1 587870537 LSMWITHFOALHQQ-UHFFFAOYSA-N 338.382 4.393 0 1 EIAF Oc1cccc(-c2nnc3ccc(-c4cccc5ncccc45)cn23)c1 653678272 OSELOQWJPQDPKD-UHFFFAOYSA-N 338.370 4.317 0 1 EIAF O=C(O)[C@H]1CNCC[C@@H]1CC/C=C/c1ccccc1-c1ccccc1 653717811 BIHFSXOKUKWWGY-BWMYXLSUSA-N 335.447 4.457 0 1 EIAF CCCCC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 653850835 SOCRUGYUGDSRET-BEFAXECRSA-N 348.439 4.413 0 1 EIAF Cc1cccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)n1 962693421 BPLODOLYWAUKPD-FOIQADDNSA-N 342.483 4.156 0 1 EIAF Fc1ccc2c(c1)OCC[C@@]21NCCc2c(Cl)cc(Cl)cc21 963109836 OWEXVVCPCZKXKG-QGZVFWFLSA-N 338.209 4.304 0 1 EIAF COc1cccc(C[C@@H]2CCC[C@@]3(C2)NCCc2ccc(O)cc23)c1 963343883 YGXKJTYLTRCZLE-JTSKRJEESA-N 337.463 4.175 0 1 EIAF O=C(O)C[C@@H](c1cc(F)cc(-c2cc(F)ccc2F)c1)c1ncco1 1772627245 XAGVNHCHUUXNSL-HNNXBMFYSA-N 347.292 4.366 0 1 EIAF C=CC(C)=CCCC(C)=Cc1cc(C(=O)N2CCN(CC)CC2)co1 2356454573 PREPUTJROSKPDO-UHFFFAOYSA-N 342.483 4.373 0 1 EIAF C[C@@H]1OC(=O)C2=C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@@H](C)N3C)[C@H]21 2356647114 BQYBRRZKGRWUCZ-FROGEVDMSA-N 343.511 4.340 0 1 EIAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356814684 CKKJGXQKGZQBSF-ZMSDIMECSA-N 344.430 4.265 0 1 EIAF C[C@](O)(c1cccc(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61906219 HRYCAYKWVTYVCU-KRWDZBQOSA-N 335.350 4.483 0 3 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 5566271 QSXNOUPYXMWUKT-AHMRPIEISA-N 332.440 4.108 0 1 EIAF O=C1CO[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1 14943890 RIFHBKAORDJJNW-VBROQKIQSA-N 331.721 4.033 0 1 EIAF CC1(COc2cccc(/C=C3\SC(=O)NC3=O)c2)CCCCC1 29052717 ASQKRKJXFLBHGX-PTNGSMBKSA-N 331.437 4.360 0 1 EIAF CC[C@@H](c1ccccc1)N1CC[C@H](Oc2cccc3ccc(N)nc23)C1 36351503 UBLUGNHBXHKVSI-OALUTQOASA-N 347.462 4.421 0 1 EIAF CN(C)CCCCCn1nc(OCc2ccccc2)c2ccccc21 40412366 NZBOLRGJVBURLM-UHFFFAOYSA-N 337.467 4.347 0 1 EIAF O=C(CCc1ccc(Cc2ccccc2)cc1)OC[C@@H]1CCCCO1 84632156 AZCQQNAUGLPHGR-NRFANRHFSA-N 338.447 4.322 0 1 EIAF CCC(=O)C(CCCCOc1ccc(OC)cc1Cl)C(=O)CC 138196769 RXLOLMRKUDYJFD-UHFFFAOYSA-N 340.847 4.472 0 1 EIAF CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1)C(C)C 169349617 WCRSGZPYURKMHM-UHFFFAOYSA-N 325.408 4.341 0 1 EIAF CCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253633198 FGOHBHQHFAYLCZ-BITQJYEPSA-N 336.472 4.089 0 1 EIAF CCCN1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(SCC)cc1)C2 253679554 XIHXZWUTKBABCV-NQYYFHDYSA-N 347.524 4.318 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 586895320 WXSFFCZBSNYYCD-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(=N)[nH]cc2[nH]1 587013032 VYZBTFOCXYQTIF-UHFFFAOYSA-N 341.827 4.123 0 1 EIAF N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Cl 587057623 QCFPBXMVLBPYTI-GFCCVEGCSA-N 339.748 4.478 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)[C@@H](O)C4)-c1ccccc1C2=O 587101789 QHBXUQMVLQNZHH-SFHVURJKSA-N 343.426 4.240 0 1 EIAF CCc1c([C@H](C)C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587105862 FTQLBSLFQRUNDK-LBPRGKRZSA-N 345.398 4.285 0 1 EIAF O=C(O)CCn1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21 587211052 KNJDUHDWKHCGMF-UHFFFAOYSA-N 342.398 4.430 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420097 IDESESVJZTXFJY-KBXCAEBGSA-N 348.320 4.377 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4nc(C)sc4c1)[C@@H](C2)C3=O 587449350 ACQSTKSUGRBNDQ-DJJJIMSYSA-N 337.400 4.102 0 1 EIAF O=C1C[C@H](c2cnc3ccccc3n2)Oc2c1ccc1c2CCCC1 587527979 VNUFHCMKUMGMFO-HXUWFJFHSA-N 330.387 4.215 0 1 EIAF CCC(=O)C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814540 UBKFPUGBOHPYRU-QFYYESIMSA-N 342.252 4.097 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccsc2)N1 587853016 KHIZHSXSHPRWCG-RFAUZJTJSA-N 340.261 4.447 0 1 EIAF COc1cccc(CCc2nc3cc(Br)cc(F)c3[nH]2)c1 587930785 KIJQOFNXTNLQMC-UHFFFAOYSA-N 349.203 4.258 0 1 EIAF Brc1ccnc2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 587952026 WLCHAAGNEVYGJI-UHFFFAOYSA-N 344.212 4.319 0 1 EIAF CC[C@]1(c2ccc(O)c(N)c2)NCCc2cc(-c3ccccc3)ccc21 962664937 IQAAGLADHHPURI-HSZRJFAPSA-N 344.458 4.441 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(C(F)(F)F)cn1 963111758 REJHLGCNDHIUKV-YOEHRIQHSA-N 336.332 4.349 0 1 EIAF CC(=O)OC[C@@]1(C)[C@@H](O)CC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 1857762085 YLQAVVIZIQXSSW-CIAFKFPVSA-N 344.495 4.354 0 1 EIAF CC1=C(C(=O)OC(C)C)[C@H](C2CCCC2)N2C(=N1)Nc1ccccc12 1911586408 NYTRCOVDWHQXGH-SFHVURJKSA-N 339.439 4.073 0 1 EIAF COc1cccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)c1 61903409 HJNBDNZCKYTQDQ-HXUWFJFHSA-N 330.387 4.320 0 3 EIAF O=C(c1ccccc1)[C@H]1Nc2cnccc2[C@@H]2c3ccccc3C[C@H]12 5582026 MABJQSJTJDPFNQ-JBACZVJFSA-N 326.399 4.063 0 1 EIAF CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@@H](C)CC 13610640 ZYUATXVKZMNUNB-LBPRGKRZSA-N 336.867 4.159 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(C)c1 29335013 GDGRKKVXLYXCIV-BDBAMQCISA-N 343.423 4.196 0 1 EIAF CC(C)(C)N(Cc1ccccc1)C(=O)/C=C\[S@](=O)c1ccccc1 31904813 ADHHICUYPKOBSF-DJKHGBOQSA-N 341.476 4.135 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC2CCCC2)N3C)cc1 36271094 PSQGGMTYCHMOPL-BTHPGYMESA-N 327.468 4.047 0 1 EIAF O=C1C(c2ccc(Cl)c(C(F)(F)F)c2)=[N+]([O-])c2ccccc21 45260785 IMYYOEQBWJQEAO-UHFFFAOYSA-N 325.673 4.186 0 1 EIAF CN1CCC[C@@H](c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)C1 49071423 XXJGIBBSKLJZNL-MRXNPFEDSA-N 336.414 4.087 0 1 EIAF c1ccc(-c2cccc(-c3cc(NC[C@H]4CCCO4)ncn3)c2)cc1 82167832 OWBTUSLNJDUZBE-LJQANCHMSA-N 331.419 4.402 0 1 EIAF Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173937 OPXNDTASKFWXJJ-UHFFFAOYSA-N 325.375 4.362 0 1 EIAF CC/C=C/CCOC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169370195 AEUZMXBITBLKGU-PQTCOCBESA-N 336.472 4.354 0 1 EIAF O=C(O)c1cccc2nc(CCCCCCCCCCCO)[nH]c12 586894644 PXXAAEDYYAVEJS-UHFFFAOYSA-N 332.444 4.307 0 1 EIAF C[C@H](Sc1ncccn1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586963032 WWAPCARYCUXWCG-QMMMGPOBSA-N 340.330 4.105 0 1 EIAF Cc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995244 HYZBFKJYHRTORS-UHFFFAOYSA-N 330.229 4.288 0 1 EIAF C[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc(Cl)cn1 587079438 KKAOFFAOKMYZBZ-LURJTMIESA-N 332.688 4.180 0 1 EIAF CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1 587168306 FIVPALDOTWBGBV-NSHDSACASA-N 328.343 4.019 0 1 EIAF Clc1ccc(Cn2cc(-c3cc4c5c(cccc5n3)CC4)nn2)cc1 587208833 BUKKYJBNCJIFEO-UHFFFAOYSA-N 346.821 4.294 0 1 EIAF Cc1ccc(OCC(=O)O)c2c1[C@H](C)c1c-2nc2cccc3c2c1CC3 587211852 LRUQWPMMOMSVMP-LBPRGKRZSA-N 345.398 4.237 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3ccc(C)cc31)O2 587414199 LKNMKXVOHDFUQS-LJQANCHMSA-N 325.433 4.242 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O 587447387 RFVPDDVOVOCSNQ-GSHUGGBRSA-N 334.415 4.395 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCCO3)CC2=O 587493735 VONFSPPDMAVVAI-FQEVSTJZSA-N 338.403 4.376 0 1 EIAF COCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521663 DWSIWHRSEXQEDJ-FQEVSTJZSA-N 338.403 4.255 0 1 EIAF Cc1cncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587771804 DASZRYWPMDCWMF-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc[nH]c32)N1 587802561 MYAKGTSZVCHKNG-DYZYQPBXSA-N 349.247 4.030 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@@H]1CCCO1 587860566 XARQFQAZJBGIGL-LBPRGKRZSA-N 341.238 4.435 0 1 EIAF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C=Cc1ccc3c(c1)OCO3)C2 2356633204 PYUDOIXLMHGZJD-NQYLQCIDSA-N 328.408 4.187 0 1 EIAF CC(C)c1csc(CN2CCC(CO)(Cc3ccccc3)CC2)n1 55072085 RSBJAYPPHDKCLS-UHFFFAOYSA-N 344.524 4.084 0 3 EIAF CCCCN(CCCC)C(=O)/C(=C\[C@H]1CCCN1)c1ccccc1 13529978 HBTSQQJNGHWRJH-QGBVPWCLSA-N 328.500 4.251 0 1 EIAF CCCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1OC 13584602 KZKBQDMVBOTFRV-UHFFFAOYSA-N 340.375 4.266 0 1 EIAF CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 13834945 LVSCJZZDQZVNMT-UHFFFAOYSA-N 335.455 4.437 0 1 EIAF Fc1ccc([C@H](NCc2ccco2)c2nnc(-c3ccccc3)o2)cc1 21538355 MVCACGJGSDXPGR-SFHVURJKSA-N 349.365 4.348 0 1 EIAF C[C@@H]([C@@H](O)c1cccc(F)c1)N1CC=C(Cc2ccccc2)CC1 84654911 SQNUVGLAMLMYCU-HRAATJIYSA-N 325.427 4.122 0 1 EIAF Clc1ccccc1[C@H]1OCCc2c1noc2CO[C@@H]1CCCCO1 103179956 PGOTUIRGMIUINB-SJLPKXTDSA-N 349.814 4.033 0 1 EIAF CCCSc1nc([C@@H](C)c2c(F)cccc2F)c(CC)c(=O)[nH]1 169352242 XMJZMRGXLFVMDL-JTQLQIEISA-N 338.423 4.264 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CNC(C)=C2CC[C@@H]34)C1 238730783 MWTHHJZKMUONAM-DPECMYTMSA-N 326.528 4.395 0 1 EIAF O=C1O[C@@H](c2ccccn2)CC(O)=C1Sc1ccccc1Cl 299840088 UJEQTIFYTQPVTI-CYBMUJFWSA-N 333.796 4.285 0 1 EIAF Cc1cc(F)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 586981510 DJCQDSJENDIPAN-UHFFFAOYSA-N 333.160 4.252 0 1 EIAF Brc1cncc2nc(CSCc3ccsc3)[nH]c12 587027536 RPZOYRDFHJVLHU-UHFFFAOYSA-N 340.271 4.215 0 1 EIAF COc1nccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083585 BEFHYUFSVCXYJW-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF CC(C)(C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107084 OITJHXKDLUQKDR-UHFFFAOYSA-N 345.398 4.330 0 1 EIAF Cc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1 587146869 ZCCHJQSXLZISJH-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](OC)c1ccccc1)CC2=O 587477366 BXONOHXSMWCXNX-SFTDATJTSA-N 340.419 4.456 0 1 EIAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506032 NTWYWUSRGFCCNY-HXUWFJFHSA-N 339.410 4.477 0 1 EIAF CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587789431 DDHIHPKMCGVGBC-JDNHERCYSA-N 337.236 4.102 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC2(C)C)N1 587816361 XCFDHWQCWPCTJL-ABYOOWDOSA-N 326.253 4.384 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CC1CCCC1 587868491 MSWBGKAJRTZYIL-UHFFFAOYSA-N 325.334 4.163 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2c[nH]c3ncccc23)cc1 962665065 IRVXOULGTDJSQO-OAQYLSRUSA-N 325.415 4.465 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c3ccccc3nn2C)N1 962938956 AUYAXFJBTAFXAX-RNODOKPDSA-N 330.435 4.068 0 1 EIAF Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1772633396 XELWDJFJXPWVSF-UHFFFAOYSA-N 332.403 4.409 0 1 EIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1 2356300860 UJSGPMRFRCTSAX-GJYPPUQNSA-N 343.515 4.226 0 1 EIAF CCCCCC=CCC=CC=C[C@H](O)C=C[C@@H](O)CCCC(=O)O 2356836328 KZQRVAKWSSAWBB-OALUTQOASA-N 336.472 4.158 0 1 EIAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Nc2ccc3snnc3c2)C1 5152191 YPQNGCWYTIJSRE-SJCJKPOMSA-N 330.457 4.124 0 1 EIAF Cc1ccc2c(nc(CCc3ccc(F)cc3)n2C)c1Cn1ccnc1 64559418 VRAPNHBGBYQWCE-UHFFFAOYSA-N 348.425 4.051 0 1 EIAF COc1ccccc1-n1cc(COC/C=C(\C)CCC=C(C)C)nn1 66112433 FWFRBXCRNDJLPV-SFQUDFHCSA-N 341.455 4.485 0 1 EIAF Cc1oc(-c2cccc(O)c2)cc1C(=O)Nc1nc2c(s1)CCC2 72178802 XMJOMWVNFVCTNB-UHFFFAOYSA-N 340.404 4.158 0 1 EIAF CN(CCCF)C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 84652927 JZIHRSHQGGBQMD-ZSYWTGECSA-N 338.898 4.198 0 1 EIAF Nc1cc2c(cn1)[nH]c1c(NC(=O)c3ccccc3)cc(Cl)cc12 95555875 WDBTZIOGAQRAMT-UHFFFAOYSA-N 336.782 4.204 0 1 EIAF O=C(CSc1nccc(-c2ccccn2)n1)c1ccc(Cl)cc1 103374700 JRPDPPJVSVACFC-UHFFFAOYSA-N 341.823 4.167 0 1 EIAF Oc1cccc(CCCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586895824 APOWPOBNNPHANK-UHFFFAOYSA-N 338.304 4.390 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 586910655 IYRHLBCOQNEXCY-KCJUWKMLSA-N 327.197 4.137 0 1 EIAF C[C@H](O)c1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)s1 587021426 IBFNNKLKZIZGLS-LURJTMIESA-N 345.371 4.352 0 1 EIAF Clc1cccc(C2(c3nc4cccc(Br)c4[nH]3)CC2)n1 587083965 FSUPGQZJLTXSLX-UHFFFAOYSA-N 348.631 4.454 0 1 EIAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 587149647 OOUQOOQDGFNLCV-DUXPYHPUSA-N 325.240 4.425 0 1 EIAF C[C@@]1(c2nc3ccc4c(c3[nH]2)CCCC4)C=C(c2ccccc2F)NO1 587154035 BRIBAWHFTWSYFR-NRFANRHFSA-N 349.409 4.372 0 1 EIAF CC(C)[C@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197246 BQUZHGGZSDRNKS-CQSZACIVSA-N 339.386 4.405 0 1 EIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(F)cc2[nH]1)C(C)(C)C 587203199 DBIDWYRNWIGKML-AWEZNQCLSA-N 335.423 4.184 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(F)c3)nc1)O2 587383360 AZEYFQBDKHZJFE-HXUWFJFHSA-N 348.377 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(C3CC3)c1F)O2 587386698 WIGVUOURGAUYDN-HXUWFJFHSA-N 325.383 4.474 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4c(Cl)cccc41)[C@@H](C2)C3=O 587422573 QTAKZCAZFNREBA-YWZLYKJASA-N 340.806 4.328 0 1 EIAF CCCC[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587798224 YUALIKQBFVKVES-BDJLRTHQSA-N 344.268 4.154 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)c(C)c1 587870140 ADVOIWKUFXPOIN-UHFFFAOYSA-N 338.382 4.393 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc3[nH]ncc23)N1 962952710 VONWMABBUQTQQS-LRTDBIEQSA-N 330.435 4.232 0 1 EIAF O=C(O)c1csc(Sc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 1772598202 AHWQSCCVKPSRCD-UHFFFAOYSA-N 346.220 4.176 0 1 EIAF C[C@@H]1S[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2NC1=O)OCO3 1772606754 GZPDGZQJBIKHCW-FVMDXXJSSA-N 347.823 4.232 0 1 EIAF O=C(NCc1ccc(C(F)(F)F)cc1F)c1cc(Cl)ccc1O 1857564159 ZFGBFVVOPRNXNA-UHFFFAOYSA-N 347.695 4.134 0 1 EIAF O=C(Oc1ccccc1)N1CCC(CCn2ccc3ncccc32)CC1 1857746964 HPORWFRHHBIAES-UHFFFAOYSA-N 349.434 4.337 0 1 EIAF CC=C1[C@H]2C[C@@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 2356756219 JBSGCOASAIDQQP-PTMNIEHFSA-N 338.451 4.028 0 1 EIAF Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCc2ccccc2)n1 13472730 CZDYZPVAAIFLQU-UHFFFAOYSA-N 338.842 4.137 0 1 EIAF CN(Cc1ccccc1)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 39214094 PZCMACIGIKNXMB-HNNXBMFYSA-N 326.390 4.435 0 1 EIAF CC(C)CCNc1nc(NCc2ccccc2)c2cc(O)ccc2n1 45193824 LBIDZJOTXDODII-UHFFFAOYSA-N 336.439 4.406 0 1 EIAF CC1=C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@H]1CC(=O)c1ccoc1 95912301 PHCHZWZHTDPULA-TUKTXDRWSA-N 328.408 4.167 0 1 EIAF biogenic,in-vitro O=C(Nc1cccnc1)c1ccc2c(c1)ncn2CC1CCCCC1 103265225 BMYLIJQLLDATHM-UHFFFAOYSA-N 334.423 4.264 0 1 EIAF C[C@]12CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CCc1ccccc12 117625364 HUSCPUJQXVMQFO-RBBKRZOGSA-N 345.446 4.072 0 1 EIAF O=C1[C@@H](c2cccc(Cl)c2)CCN1c1ccc(-c2cn[nH]c2)cc1 584629253 BWYMYRRNENAMMQ-GOSISDBHSA-N 337.810 4.251 0 1 EIAF CCCc1c(COC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989211 BKPRNCKSEOOWQB-UHFFFAOYSA-N 333.387 4.251 0 1 EIAF Cc1cc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587123560 IXFSNPLNIZVBLZ-ZWNOBZJWSA-N 349.360 4.351 0 1 EIAF CSc1ccc2c(c1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587410794 PKHADTHAOJJYEV-HXUWFJFHSA-N 339.460 4.496 0 1 EIAF CCCCOC(=O)CC[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587476871 BEWHLYGVYCEWNA-HXUWFJFHSA-N 348.439 4.192 0 1 EIAF CCC[C@@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521033 HSKUHKNVCBPRKH-SPLOXXLWSA-N 344.451 4.411 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(F)CC2 587571166 PMLFFKGBIZZRQX-CHLGFOLGSA-N 328.339 4.005 0 1 EIAF CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 587628794 AKVGHGZVOQHUDW-UHFFFAOYSA-N 341.766 4.170 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCSC2)N1 587857563 RQFACFBWGLWPLE-PSLIRLAXSA-N 342.277 4.227 0 1 EIAF C[C@H](Oc1ccccc1F)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873955 QKXXMHUSVQSWLV-JTQLQIEISA-N 342.301 4.042 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)c(F)cc3[nH]2)CC1 587952198 MQLUZBZIOOCMHF-VOMCLLRMSA-N 340.826 4.433 0 1 EIAF C[C@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)CC(=O)O 587963578 ZWXNDVKYHICXTI-MRVPVSSYSA-N 332.347 4.218 0 1 EIAF N[C@@H](N=O)c1ccc2oc(C(=O)c3ccc(C(F)(F)F)cc3)cc2c1 957626364 DUTPLKDRXBGCLH-INIZCTEOSA-N 348.280 4.406 0 1 EIAF Cc1sc2c(c1C)CCN[C@]21[C@H]2CC[C@H]1N(Cc1ccccc1)C2 963031489 UPUOZUAFNBVAAG-DSKINZAPSA-N 338.520 4.000 0 1 EIAF COc1cccc2cc3c(nc12)[C@](C)(c1csc(Cl)c1)NCC3 963057159 MBYBLPMZLHKZLM-SFHVURJKSA-N 344.867 4.368 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CC(=O)C(F)(F)Cl 963242829 QIFQLBWUZQUZEY-MLGOLLRUSA-N 329.818 4.349 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C[C@H]3CN3)CC[C@@H]12 1857571437 KRFWHRJXDKUGAA-DYDGGYCISA-N 329.528 4.288 0 1 EIAF CCCCc1cc2c(s1)C[C@H]1c3cc4c(cc3CCN1C2)OCO4 1857643274 HXKMQMXFMKWIDV-KRWDZBQOSA-N 341.476 4.475 0 1 EIAF Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 4960724 QAGNZZAAYYVDCC-FQEVSTJZSA-N 329.403 4.157 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@]4(CCCO4)[C@@]3(C)CC[C@H]12 29416716 QNMBJXHTULXJII-BZHQQEMQSA-N 345.527 4.399 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3cc(F)cc(Br)c3)cc2c1 43058910 WNGUMIAZYAHUHA-UHFFFAOYSA-N 332.176 4.021 0 1 EIAF CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1 43122459 CABPVRYEFMWZCX-UHFFFAOYSA-N 349.478 4.068 0 1 EIAF COc1ccc(CSc2nnc(-c3ccc(C)cc3O)o2)cc1 84616646 NKBJANLLNOPEJC-UHFFFAOYSA-N 328.393 4.052 0 1 EIAF NC1(c2ccc(-c3ncc4nccn4c3-c3ccccc3)cc2)CCC1 84709017 YNWTXEUYEFVUCD-UHFFFAOYSA-N 340.430 4.401 0 1 EIAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1ccc3c(c1)oc1ccccc13)C2 100872914 IBPVOWRUOFHHKZ-GJZGRUSLSA-N 335.403 4.368 0 1 EIAF CCCCC1=C[C@@H](C2=NO[C@@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 101652650 QJCLVHYTRRNFQZ-GOEBONIOSA-N 346.814 4.078 0 1 EIAF Cc1cccc(C)c1C(=O)N[C@@H](c1ccccc1)C12CCC(CC1)N2 141898190 LMVLUIGCBTZPJK-JGBTYHIZSA-N 334.463 4.059 0 1 EIAF CC(C)NC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143932970 DFNSETCSVKRRDB-GFCCVEGCSA-N 345.370 4.178 0 1 EIAF Cc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br 586896271 NUBTZVVLSCTQLR-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 586906596 DHKBBBYKORSDMJ-SSDOTTSWSA-N 336.725 4.075 0 1 EIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cccc(O)c3[nH]2)c1 586914463 OBTXPKPZHSRLBK-UHFFFAOYSA-N 346.342 4.037 0 1 EIAF N[C@H](c1ccsc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587025283 KKAQUMFXKKEQPD-LLVKDONJSA-N 347.749 4.225 0 1 EIAF Cc1cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134872 PPYMTIXSWYQDTJ-IHWYPQMZSA-N 325.240 4.132 0 1 EIAF Fc1ccccc1CCc1nc2ccc(Br)c(F)c2[nH]1 587149300 KWAWITRTRIVIJQ-UHFFFAOYSA-N 337.167 4.389 0 1 EIAF Fc1ccc(-c2cn3c(Cc4nc5cccnc5[nH]4)csc3n2)cc1 587166463 SOCWTLRSABBZSQ-UHFFFAOYSA-N 349.394 4.064 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccccc4)c(F)c3)nc2n1 587368518 RYVBJSJWDXWCNM-UHFFFAOYSA-N 349.321 4.034 0 1 EIAF CC(C)=C1NCCc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc21 587400323 MRYVYKIXDZMRDK-HXUWFJFHSA-N 348.446 4.180 0 1 EIAF CC[C@@H](C)Oc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440765 QJNBZOKUMJSYAO-ZXNZOMRRSA-N 338.403 4.361 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1O)CC2=O 587476984 CYUDZDMNRLTBMH-GOSISDBHSA-N 342.391 4.156 0 1 EIAF CC(=O)Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512812 PRRQDJSQFIGYSP-HXUWFJFHSA-N 335.403 4.230 0 1 EIAF O=C1C[C@@H](c2sc(O)nc2Cl)Oc2c1ccc1c2CCCC1 587535098 IGANIDXSTMKQAQ-LBPRGKRZSA-N 335.812 4.087 0 1 EIAF C[C@@]1(c2ccc3c(c2)CCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587536927 YQQSDRJUPYFJBV-QFIPXVFZSA-N 334.415 4.381 0 1 EIAF CCCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580454 XYSXHGRTGPQFJJ-NQIIRXRSSA-N 349.386 4.307 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 587952254 NNJMUGJJMZLILX-WWGRRREGSA-N 330.428 4.381 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccn(C(C)(C)C)c1 963061496 CJFNNHVMQIINKJ-LJQANCHMSA-N 335.451 4.035 0 1 EIAF COc1ccccc1-c1ccc([C@]2(C)NCCc3c(C)ccnc32)cc1 963066301 GJPLJYLMYIIOSS-QHCPKHFHSA-N 344.458 4.475 0 1 EIAF Cc1cc(=O)c2c(o1)O[C@]1(C)[C@H](CC[C@H]3C(C)(C)C(=O)CC[C@@]31C)C2 2356632350 KSPJPGGJDQMWRK-NUVQDNJRSA-N 344.451 4.063 0 1 EIAF COc1ccc2nc3oc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3cc2c1 429103 RNWNQKKNUYZURB-STQMWFEESA-N 338.407 4.108 0 3 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C(C[C@H](F)C(=O)C4)[C@@H]3CC[C@@]12C 254103704 WVBCLXPZFRTXNR-VRSGAVDSSA-N 334.431 4.152 0 3 EIAF CC1(C)O[C@@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@@H]1CO 1648743 MJYYHAFJMFJSDR-JDNHERCYSA-N 343.254 4.282 0 1 EIAF COc1ccccc1/C=C/[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579695 AAQNNIHULWOFRN-UFUQCMIWSA-N 343.854 4.263 0 1 EIAF Cc1ncc(-c2cc3ccccc3nc2SCCN(C)C)s1 26378612 YYILPQQJHOMIDD-UHFFFAOYSA-N 329.494 4.320 0 1 EIAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(O)cc3)[nH]2)CC1 28473570 SUCMSYMAZXOVRG-UHFFFAOYSA-N 333.435 4.259 0 1 EIAF NC(=O)c1ccc2oc(-c3ccc(Oc4ccccc4)cc3)nc2c1 28572197 UHQZRQPYJBYNGQ-UHFFFAOYSA-N 330.343 4.386 0 1 EIAF O=C1Nc2ccccc2C(=O)N2C=C(c3cccc4ccccc34)C[C@@H]12 28714156 XBJVCERPDRCGAK-FQEVSTJZSA-N 340.382 4.048 0 1 EIAF CCO[C@@]12CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC(=O)[C@]3(C1)OC(=O)C2 28968295 FMUQZHWJFDSYFJ-VORIWDROSA-N 348.483 4.053 0 1 EIAF CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2cn1 39630825 XJHWMGBLNIXNHU-UHFFFAOYSA-N 330.387 4.415 0 1 EIAF Cc1ccccc1Nc1nnc([C@@H](O)c2ccc(F)c(Cl)c2)s1 82078370 NWLSIMZDWXPGPR-AWEZNQCLSA-N 349.818 4.464 0 1 EIAF COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1CCCC1 84727745 OZJFTDHRIABIPO-UHFFFAOYSA-N 338.407 4.076 0 1 EIAF Oc1c2nc(-c3ccccc3)nc-2c2cccnc2n1-c1ccccc1 100929903 ABOJRGJJOPCBMM-UHFFFAOYSA-N 338.370 4.293 0 1 EIAF OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc3c(c2)OCO3)CO1 101468261 UVBVZIZPWRFCLJ-KRWDZBQOSA-N 339.372 4.135 0 1 EIAF CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 169323458 YUEVEZWXYBGVTF-QXQHJKFFSA-N 345.527 4.301 0 1 EIAF O=c1ccc2cc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)ccc2o1 586917644 HOAFXFXIYNOZOA-UHFFFAOYSA-N 346.264 4.235 0 1 EIAF Cc1c(F)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587078779 BCMPCYCINNXKHM-AWEZNQCLSA-N 342.805 4.388 0 1 EIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(F)cc2[nH]1 587174993 OGIVWADXNYIUCA-ZDUSSCGKSA-N 346.768 4.218 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cn1 587247952 ZDRYUBGHSJRUBU-UHFFFAOYSA-N 346.793 4.402 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCC(C)(C)O3)O2 587412795 OXBHXPMTKCWNKZ-LJQANCHMSA-N 337.419 4.387 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccn(Cc4ccccc4)c1)[C@@H](C2)C3=O 587431253 NFIFBDNWVBWFGX-AVRDEDQJSA-N 345.398 4.034 0 1 EIAF CCCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587481541 NCXSXIASMZDQLO-FQEVSTJZSA-N 348.439 4.192 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cccnc13)CC2=O 587481767 HMKUODMMAXGYSB-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(O)c1 587862501 BNTOFTOGNLRVLP-UHFFFAOYSA-N 348.324 4.331 0 1 EIAF Clc1ncnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587954728 BSKSXRJRTPPZSS-HNNXBMFYSA-N 334.810 4.381 0 1 EIAF O=C1COc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 653692029 KQGXAHDELMVZPM-HNNXBMFYSA-N 347.201 4.064 0 1 EIAF CC(=O)C[C@]1(c2ccccc2F)c2c(F)cccc2C[C@@H]2CCCN21 963092272 AMIWPYGMOZOOJB-KKSFZXQISA-N 341.401 4.208 0 1 EIAF Fc1cc(Cn2nnc3c(Br)cccc32)ccc1Cl 1857549463 KNYGQMJEWGRJPT-UHFFFAOYSA-N 340.583 4.035 0 1 EIAF Cc1nn2c(=O)cc(C3CCCC3)[nH]c2c1-c1ccc(Cl)cc1 1857581327 FVSUJXDUOMTDLI-UHFFFAOYSA-N 327.815 4.309 0 1 EIAF NCc1cccc(-n2cnc3ccc(-c4ccnc5[nH]ccc45)cc32)c1 1857754316 BDEDKVDHVVWZKG-UHFFFAOYSA-N 339.402 4.028 0 1 EIAF COc1cc2c(cc1Br)C(=O)C[C@H](c1ccccc1)O2 2356284629 NMDLIHWYHLKIGZ-CQSZACIVSA-N 333.181 4.164 0 1 EIAF CC1(C)Oc2ccc3c(c2C=C1O)O[C@@H]1c2ccc(O)cc2OC[C@H]31 2356741129 MCRWVPWUBCXRQM-AUUYWEPGSA-N 338.359 4.072 0 1 EIAF COc1ccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)cc1 96018928 HWKVBNNYSPDGFD-DOIQENQNSA-N 341.451 4.008 0 3 EIAF C[C@@H](c1ccccc1)N1O[C@]12CC[C@@]1(C)[C@@H](CCCC13OCCO3)C2 1629961 XENZARRASDXGFQ-NIKHYXPQSA-N 343.467 4.425 0 1 EIAF c1ccc(-c2nnc3c4ccccc4c(OCc4ccoc4)nn23)cc1 13559985 YBHLQPIYKPUFSS-UHFFFAOYSA-N 342.358 4.117 0 1 EIAF CCCOC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610533 KVGOBRWKEUYTBA-XRFXIRKLSA-N 344.495 4.262 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@H]12 14439712 BNJWIAKPZPKUQY-DBVUQKKJSA-N 328.408 4.135 0 1 EIAF biogenic CN1CCN([C@H]2C[C@H](c3ccccc3)c3ccc(Cl)cc32)CC1 22937765 OUTQVQKOJHLKNN-QUCCMNQESA-N 326.871 4.164 0 1 EIAF FC(F)(F)c1ccnc(-n2nc3c(c2-c2ccccc2)CCCC3)n1 28713492 LIQUEQDANXVIDZ-UHFFFAOYSA-N 344.340 4.227 0 1 EIAF O=C(Nc1ccc(Cl)cc1)c1nscc1NCc1ccncc1 40917955 NYEXDGYOBOWOIP-UHFFFAOYSA-N 344.827 4.056 0 1 EIAF CC(=O)N1CCC(Oc2cc3cnccc3cc2-c2ccccc2)CC1 40937418 GXXUHIWUMKDBFY-UHFFFAOYSA-N 346.430 4.292 0 1 EIAF CCNCc1ccc(-c2ccc3ncnc(NCC(C)(C)C)c3c2)o1 71333838 BIDTZRBRWDXWHU-UHFFFAOYSA-N 338.455 4.457 0 1 EIAF c1ccc2c(c1)sc1c(Nc3ccc4c(c3)OCCO4)ncnc12 95578257 UREGYTRXPMVEHA-UHFFFAOYSA-N 335.388 4.359 0 1 EIAF Nc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1Cl 96169294 SIFBLFPDTSIMLQ-APWZRJJASA-N 340.854 4.257 0 1 EIAF N=C(Cc1ccc2[nH]cc([C@H]3CN4CCC3CC4)c2c1)c1ccco1 96177600 KMXOBHRXLQPVOS-SFHVURJKSA-N 333.435 4.181 0 1 EIAF c1ccc(CN2[C@@H]3CC[C@@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1 100617022 RTCFKJVSDGLJAM-WOJBJXKFSA-N 332.451 4.170 0 1 EIAF Cc1cccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=N)N2)c1 103262068 YKHQFUZESLZGNC-PWRODBHTSA-N 333.479 4.430 0 1 EIAF Cc1cc(C)nc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)n1 103285639 GGUFFIFGBZJRCP-UHFFFAOYSA-N 336.292 4.104 0 1 EIAF CC/C=C\C/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1CC=CCCCC(=O)O1)OC 253666949 QXHLHGKKWDCOOY-YZLQGYFCSA-N 348.483 4.263 0 1 EIAF Cc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F 587005399 HNJQUPADOQOIBV-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Fc1c(F)c(F)c2[nH]c(CNc3ccccc3Cl)nc2c1F 587061095 AHXJEJJAKHNEGG-UHFFFAOYSA-N 329.684 4.385 0 1 EIAF Clc1ccc(-c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)nn1 587085581 VFAVOMPTNQIJFL-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF CCOC(=O)C(C)(C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105620 BHSYVDUJDLMUDG-UHFFFAOYSA-N 345.398 4.287 0 1 EIAF Nc1ccc2oc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2c1 587252518 YIKQJYDTBVIZTN-UHFFFAOYSA-N 333.269 4.457 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(C)cc(Cl)cc31)O2 587379378 IFCJXRKWPUPRQE-IBGZPJMESA-N 343.810 4.182 0 1 EIAF COc1ccc2c(c1)[C@@H](C)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587403728 QELITGMIUGRDPZ-ASSNKEHSSA-N 337.419 4.040 0 1 EIAF CCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587530348 CCULQRKCPKTIGE-KRWDZBQOSA-N 342.464 4.117 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 587615258 FZZWVKUOZVVDDA-XLIONFOSSA-N 336.343 4.305 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc2c(c1)OCO2 587631382 KRSMJFJLPVZUSV-UHFFFAOYSA-N 346.745 4.250 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587769362 FXIKFPBZTCGPEA-BTDLBPIBSA-N 349.247 4.169 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@H]1C 587865938 PWMNIODOSILONO-ZWNOBZJWSA-N 338.329 4.264 0 1 EIAF O=C1CCc2cc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3cc2N1 587965983 FIHVZQFCDKTYMD-UHFFFAOYSA-N 333.435 4.287 0 1 EIAF O=C(CN1[C@@H]2CC[C@@H]1CC(c1cccc(O)c1)C2)C1CCCCC1 1772644432 RGJGNTYKDCKUBN-RTBURBONSA-N 327.468 4.252 0 1 EIAF Nc1ccccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1 1857648193 UFYNFCHEWIBNTM-UHFFFAOYSA-N 349.333 4.351 0 1 EIAF c1ccc(C(CNC2=NCc3ccccc3CN2)c2ccccc2)cc1 12999 WAWFCLLRFNYBQY-UHFFFAOYSA-N 341.458 4.068 0 1 EIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(C2CCCC2)cc1 40865971 AONWVFVOUGKEOC-RTWAWAEBSA-N 340.511 4.350 0 1 EIAF O=C1C[C@@H](c2ccc(F)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21 63539437 UCNGSKHMBNVWNA-NSHDSACASA-N 341.769 4.233 0 1 EIAF COc1ccc([C@](O)(c2cccnc2)c2cc3ccccc3o2)cc1 89464410 RYJWFCXYUSYRLE-NRFANRHFSA-N 331.371 4.121 0 1 EIAF Nc1cccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)c1 96905869 YMFXSMMSZYPJMG-DHDCSXOGSA-N 344.823 4.159 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CO[C@H](C1)O2 100380822 MBYLQCWDOYEQRA-HKUYNNGSSA-N 325.364 4.002 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(C)c4[nH]3)oc12 586904586 XZUKAOOKFWIOIG-UHFFFAOYSA-N 341.754 4.154 0 1 EIAF COc1cc(Cl)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587067015 YEJIMMYNRSQERX-UHFFFAOYSA-N 342.761 4.217 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3ccnc(Br)c3[nH]2)c1 587160579 DOLONMVNHPWAMK-GHMZBOCLSA-N 332.176 4.131 0 1 EIAF COC(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345104 DVPSAJWYACGQTD-XLIONFOSSA-N 344.382 4.074 0 1 EIAF COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587374105 GKYAPQKRHITYIK-IBGZPJMESA-N 345.826 4.206 0 1 EIAF CC[C@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401110 QCCXUOVZRVTJEU-DJJJIMSYSA-N 325.408 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ncccc13)CC2=O 587480686 GAOSZCPCTPJXBS-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1sccc1NC(C)=O)CC2=O 587492334 CIMGWBBORYZWPX-MRXNPFEDSA-N 345.420 4.071 0 1 EIAF Cc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c12 587524202 KSJKRKBDJWYJBZ-SFHVURJKSA-N 332.403 4.457 0 1 EIAF CCC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587813005 MNFGTRLGLIPIRZ-RFAUZJTJSA-N 342.252 4.169 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 587932479 UOYFVZNYPPTUIM-UHFFFAOYSA-N 328.371 4.470 0 1 EIAF COc1cc2c(cc1OC)[C@@H](Cc1cc(C)ccc1C)N(C)[C@H](C)C2 962635936 VEAMVIUSZXHUSP-OXQOHEQNSA-N 339.479 4.481 0 1 EIAF CC(C)c1nn(C)c2c1[C@@H](c1c(Cl)ccc(F)c1Cl)NCC2 962914003 CFZKGZSPXCJLFJ-MRXNPFEDSA-N 342.245 4.225 0 1 EIAF CO[C@@H](C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857763579 YABIGLAUDNERGH-ZBEGNZNMSA-N 344.867 4.334 0 1 EIAF Cc1c([C@H](C)c2c(F)cccc2F)nc(SCC(C)C)[nH]c1=O 5891068 GLWPSKKKOOCOLI-SNVBAGLBSA-N 338.423 4.256 0 1 EIAF COc1ccc2c(c1)O[C@@H](c1cccnc1)[C@@H](c1ccccc1)C2=O 13220625 BCPRALJNRUBHRE-FPOVZHCZSA-N 331.371 4.190 0 1 EIAF COc1c(C(C)=O)c(O)c(OCc2ccccc2F)c2occc12 13682331 PRJDOBDSDAQEAD-UHFFFAOYSA-N 330.311 4.068 0 1 EIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 20485217 WQHURHBTDOKZPM-DOMZBBRYSA-N 341.480 4.001 0 1 EIAF C[C@H]1CN(C[C@H](C)c2cccc(C(=O)c3ccccc3)c2)C[C@@H](C)O1 29412169 YIAPNVVBPJXYHD-OKZBNKHCSA-N 337.463 4.130 0 1 EIAF CC(=O)Nc1ccc2c(c1)[C@]1(C)CCN(Cc3ccccc3)[C@H](C2)[C@@H]1C 36126830 FTFOZMMDMFOELO-PBNUPURSSA-N 348.490 4.369 0 1 EIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@H]1N2C 36271335 XDCKKLJZZNMBOS-INDMIFKZSA-N 341.476 4.154 0 1 EIAF NC1(c2ccc(-c3c(-c4ccccc4)ncc4nccn34)cc2)CCC1 84690518 CPPCFBQZCSSDSL-UHFFFAOYSA-N 340.430 4.401 0 1 EIAF Cc1cc(Oc2cccc(CN3CCN(C)CC3)c2)cc(C)c1Cl 95582147 CRMXWCDKVVYZIZ-UHFFFAOYSA-N 344.886 4.497 0 1 EIAF Fc1ccc(C(OC2C[C@@H]3CC[C@@H](C2)N3)c2ccc(F)cc2)cc1 100758632 ZBKITZYQNFJNIF-ROUUACIJSA-N 329.390 4.354 0 1 EIAF NC(=O)c1cccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048255 GOUFKVLNVMPLED-ZJUUUORDSA-N 346.217 4.240 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4ccnc(Cl)c4[nH]3)cc2[nH]1 587120180 BIWJXXSSKQYDOG-UHFFFAOYSA-N 337.692 4.173 0 1 EIAF Fc1c(F)c(-c2nc3cc(Cl)cnc3[nH]2)c(F)c(F)c1S 587135189 VAYDFJXAMQALLG-UHFFFAOYSA-N 333.697 4.123 0 1 EIAF Cc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Cl 587170657 DQGOMDBRFLCQNT-UHFFFAOYSA-N 332.762 4.121 0 1 EIAF COc1ccc(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376965 DYZSPKDCOUBBEK-GOSISDBHSA-N 331.799 4.120 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)c1)O2 587378961 XSWMOKGYMUQJHQ-KRWDZBQOSA-N 346.224 4.220 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccsc4)n1)[C@@H](C2)C3=O 587453421 QMWQSFVWRXGMJP-VBKZILBWSA-N 349.411 4.307 0 1 EIAF Cc1ccc(C)c([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531384 ZSXIRKBVQYQAMP-JOCHJYFZSA-N 336.431 4.035 0 1 EIAF COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 587632006 AENYDPTZYGXTGP-HNNXBMFYSA-N 347.733 4.003 0 1 EIAF CC(C)[C@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823574 QFPOBWQDBMZQQR-NSODJVPESA-N 326.253 4.384 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C)n1 587862925 LPRXJOBSFBIUDW-UHFFFAOYSA-N 333.313 4.270 0 1 EIAF Cc1nc(-n2nc3cc2Oc2ccc(F)cc2-3)ccc1Br 587873370 ZYXZEGSCCSNWFG-UHFFFAOYSA-N 346.159 4.250 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2NC(C)=O)N1 962944884 ICNKHXIKHRIGEG-XOBRGWDASA-N 333.435 4.140 0 1 EIAF O=C(Nc1ccc(F)cc1)c1ccnc2cc(Br)ccc12 1857749679 TYAAQESOBSLJQD-UHFFFAOYSA-N 345.171 4.389 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)n2)cc1OC 1911579547 NBTQDNVTVWQBRH-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CC[C@@H](O)[C@@H](O)CC=CCC=CCC=CCC=CCCCC(=O)O 2356546052 XYDVGNAQQFWZEF-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF CCc1ccc(O[C@@]2(C)CCN(CCOc3ccc(C)cc3)C2)cc1 61897725 JWDHAYRJQCUWFF-QFIPXVFZSA-N 339.479 4.480 0 3 EIAF O=C(c1ccccc1)N(C(=S)OCc1ccco1)c1ccccc1 3648443 BEQSSZPWVMWZAJ-UHFFFAOYSA-N 337.400 4.428 0 1 EIAF CCN(CC)CCCOC(=O)[C@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2 5649802 BDNMABJZSXTKAQ-DSKINZAPSA-N 329.484 4.020 0 1 EIAF in-man CC(=O)CC[C@@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC1=CCOC1=O 13385463 KVLVNKUNUGDPMA-UZLBHIALSA-N 334.456 4.021 0 1 EIAF biogenic COc1cc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)ccc1O 14488308 JPDORDSJPIKURD-HIGYNYDNSA-N 342.391 4.214 0 1 EIAF endogenous,in-man Cc1ccc2c(N3CCN(C)CC3)nc(-c3ccccc3C)cc2c1 27521607 CQNQPKDGOOMWLD-UHFFFAOYSA-N 331.463 4.270 0 1 EIAF CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@@H](OC)C(C)(C)OC 29312753 XTUMFTHYMVBWBB-NVLNCLNMSA-N 326.477 4.298 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@H](C)[C@@]12C 33832114 QSXNOUPYXMWUKT-GIANBAGCSA-N 332.440 4.108 0 1 EIAF CC(=O)N1CCC[C@]1(CC1CCCCC1)C(=O)OCc1ccccc1 49067688 TYIVCEKQVDRTNK-NRFANRHFSA-N 343.467 4.081 0 1 EIAF O=C(NCCSCc1cccc(Cl)c1)c1c(F)cccc1F 49807968 JDMHBTNBQJEBHS-UHFFFAOYSA-N 341.810 4.281 0 1 EIAF CCCC[C@@H](CC)c1[nH]c(=O)n(SC(Cl)(Cl)Cl)c1O 80400033 ISCHMAWSESEPQZ-SSDOTTSWSA-N 347.695 4.390 0 1 EIAF CN1CC[C@@]2(CCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1 96927289 FYZPVGUGRCYTCU-VXKWHMMOSA-N 337.463 4.140 0 1 EIAF Cc1cc2c(cc1C)C(Cl)=C(/C=C1\SC(=O)NC1=O)CCC2 103234644 WXSVDBMKGAFGAV-ZSOIEALJSA-N 333.840 4.457 0 1 EIAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1 169307749 JFAORNBEGILFPJ-UHFFFAOYSA-N 336.439 4.398 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(Br)c3[nH]2)cc1 586887542 IXHVNZANTSSUGF-BZNIZROVSA-N 345.240 4.471 0 1 EIAF Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987628 PHUVWRKLXQVFOB-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF C[C@@]12C[C@@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991703 VUGFDLZRRMGACN-KPWVOAKYSA-N 327.383 4.376 0 1 EIAF COc1cc(OC)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036785 NBOKMTJJBVTRFP-OAHLLOKOSA-N 332.450 4.020 0 1 EIAF Clc1cccc(C2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)n1 587084380 LEBOOLXDMJMEFE-UHFFFAOYSA-N 339.613 4.393 0 1 EIAF CC1(C)CN(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)C1=O 587211661 HPQZOJNSXOKAKS-UHFFFAOYSA-N 328.415 4.373 0 1 EIAF Fc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1F 587232376 RXTBABDEZNHVOI-UHFFFAOYSA-N 339.345 4.391 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(CCCSC2)[C@H]1c1ccc(F)cc1 587370369 APYHCJHKYLTVLJ-PKOBYXMFSA-N 344.407 4.156 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3c(F)cccc31)O2 587385401 CUZLDWWPARQNSV-SFHVURJKSA-N 329.396 4.073 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCC(C)(C)O3)O2 587412794 OXBHXPMTKCWNKZ-IBGZPJMESA-N 337.419 4.387 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(F)ccc31)CC2=O 587471718 MQBIDFFCZSDYJF-HXUWFJFHSA-N 340.350 4.251 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3cccnc3c1)CC2=O 587485124 PRVVVNJMMSYVJB-OAQYLSRUSA-N 348.402 4.169 0 1 EIAF CN1CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587514408 OBCDUPIAPLOEIM-OAQYLSRUSA-N 333.431 4.264 0 1 EIAF Cc1cc(C)nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585449 DHWAAHNYMBOXCY-GHTZIAJQSA-N 347.370 4.107 0 1 EIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CSc1ccc(F)cc1 587650509 MMBSJHUZKQGLRG-UHFFFAOYSA-N 349.452 4.311 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(F)F)CC2)N1 587717798 MHXDWZSJKCWFSD-JVXZTZIISA-N 334.179 4.209 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2)N1 587819334 LTYQGTJDZCKRRP-ABAIWWIYSA-N 334.232 4.406 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(F)cccc1F 587870740 HOJOKBWVUUZSBK-UHFFFAOYSA-N 346.308 4.055 0 1 EIAF COc1ccc(CCCc2nc3c(C)cnc(Cl)c3[nH]2)cc1OC 587927689 WIGTZGSZWYIVOT-UHFFFAOYSA-N 345.830 4.112 0 1 EIAF CC(C)(C)C[C@]1(C2CC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732365 ZYKGMMWQFJLKGT-CRAIPNDOSA-N 339.401 4.374 0 1 EIAF CCOc1ccc(-c2ccc([C@H]3NCCc4c(C)ccnc43)o2)cc1 963066349 GVMURYFBOKKBPX-OAQYLSRUSA-N 334.419 4.284 0 1 EIAF O=C(O)c1cc(CCc2c(Cl)cccc2Cl)cc(C(=O)O)c1 1772614337 SFASVZXAGRCJDW-UHFFFAOYSA-N 339.174 4.175 0 1 EIAF C[C@@H]1CCC2=C(CC[C@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O 2356682989 CNPSEJMTSGFDJT-MXDFIXEMSA-N 330.424 4.161 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@H](O)[C@H]1CCCCCCC(=O)O 2356711968 HYBPXYQCXNOTFK-XWSJACJDSA-N 340.504 4.296 0 1 EIAF O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1c1ccccc1 95599945 NQTLYGBCKXXXJX-IBGZPJMESA-N 325.371 4.313 0 3 EIAF CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1CCCC1 21912 OTBUQMMSFVAASQ-UHFFFAOYSA-N 325.460 4.033 0 1 EIAF c1ccc2cc(CCO[C@H]3CCCC[C@@H]3N3CCOCC3)ccc2c1 24192 NWPBCZNZFCURCH-VXKWHMMOSA-N 339.479 4.042 0 1 EIAF COc1cc2cc(-c3cc(F)c(OC)c(F)c3)cnc2cc1OC 3834043 NDQZNBLQERJLCC-UHFFFAOYSA-N 331.318 4.206 0 1 EIAF O=C1c2ccccc2[C@@]2(c3cccc(C(F)(F)F)c3)SCCN12 6583023 NQVXOEUFOSNBEE-MRXNPFEDSA-N 335.350 4.109 0 1 EIAF Cc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1 12352358 GPXXPSBIFFHUIN-UHFFFAOYSA-N 333.453 4.491 0 1 EIAF CC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 13582585 ZNTCURDIWRJLBI-UHFFFAOYSA-N 344.422 4.227 0 1 EIAF COc1cc2c(c3c1[C@@H](O)C[C@@H](c1ccccc1)O3)C=COC2(C)C 14439339 DJLVQLNNAMLMDT-IRXDYDNUSA-N 338.403 4.488 0 1 EIAF biogenic COc1cccc(CNc2c3c(nc4ccccc24)CCC[C@H]3O)c1 14946502 DKUJACOBAKIJQF-LJQANCHMSA-N 334.419 4.225 0 1 EIAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1ccccc1 26571656 HNPUHUYRWKEFCY-INIZCTEOSA-N 334.394 4.487 0 1 EIAF O=C1C[C@H](O)C[C@@H](CCc2ccc(Cl)c3cc(Cl)ccc23)O1 27871021 CFDKIOXRIIIRNK-CHWSQXEVSA-N 339.218 4.146 0 1 EIAF CCC[C@H](CC1(C(=O)Nc2cccc(CC)n2)CCCC1)C(=O)O 35965438 XQGIVVYXGDZTKU-CQSZACIVSA-N 332.444 4.034 0 1 EIAF Cc1ccccc1Nc1nnc([C@H](O)c2ccc(Cl)cc2)s1 82078124 XOIFVQJCRQIDLT-CQSZACIVSA-N 331.828 4.325 0 1 EIAF CCc1cccc2c(CC(=O)O)cn(C(=O)c3ccc(Cl)cc3)c12 95556931 HUUDENONFAELRY-UHFFFAOYSA-N 341.794 4.173 0 1 EIAF Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 95562657 DXPBRIOEFRSDGR-UHFFFAOYSA-N 330.516 4.189 0 1 EIAF CCCOc1ccc(Oc2ccc(CC[C@@H](C)NC(C)=O)cc2)nc1 96167479 WYBMASMYTQURFE-OAHLLOKOSA-N 342.439 4.120 0 1 EIAF Cc1c(Sc2ccc3ccccc3c2)ccc2nc(N)nc(N)c12 169337674 BFIZKFOLLNQKPS-UHFFFAOYSA-N 332.432 4.407 0 1 EIAF C[C@@H]1C[C@@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 195451745 UIVXVKDVVGELNW-VTJXTGGHSA-N 339.410 4.403 0 1 EIAF O[C@H]1C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 586904314 TUEBTJQJXCYYAJ-RISCZKNCSA-N 347.187 4.034 0 1 EIAF Cc1ccc(-c2nc(-c3nc4c(Cl)ncnc4[nH]3)c(C)s2)cc1 587013161 IZOUAPYQSMNNGF-UHFFFAOYSA-N 341.827 4.414 0 1 EIAF COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587067660 JLYUNKZZBBCGBO-LLVKDONJSA-N 344.798 4.451 0 1 EIAF Cc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Cl 587154973 HLIHEOJXWUWQGH-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(O)c2[nH]1)C1CCCC1 587226115 PDZREYOOWRGUSN-CQSZACIVSA-N 331.416 4.025 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 587232951 DPABCUWHDHAKMC-NWDGAFQWSA-N 335.835 4.377 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2SC[C@@H]1C 587412852 CXPCFXMEEGJQPO-HXPMCKFVSA-N 325.433 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(C(C)(C)c1ccc(F)cc1)[C@@H](C2)C3=O 587427620 JIPHFTSBLMSVRF-HRAATJIYSA-N 340.394 4.318 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O 587428122 WTLZJRMTOCPWEB-HXPMCKFVSA-N 346.785 4.459 0 1 EIAF O=C1C[C@@H](c2nc(Cl)cnc2Cl)Oc2c1ccc1c2CCCC1 587502295 UVNBFASBGYICJL-ZDUSSCGKSA-N 349.217 4.369 0 1 EIAF C[C@]1(c2ccc(O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503023 KHKIDZCPSLUTPQ-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1[C@H]3CC[C@@H](C3)[C@@H]12 587601285 CLZGPQGCQMGFHH-XMYGOOJDSA-N 348.398 4.159 0 1 EIAF COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1F 587949837 DDJJPEWMDAGRKQ-UHFFFAOYSA-N 330.403 4.196 0 1 EIAF c1ccc(CC2CCN(C[C@H]3COC4(CCCCC4)O3)CC2)cc1 653710291 OYNYCRXJGVFMSF-FQEVSTJZSA-N 329.484 4.017 0 1 EIAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2ccccc2)N1c1ccc2nc[nH]c2c1 1772637506 BAQVUMRXZYSJPC-HLIPFELVSA-N 327.387 4.009 0 1 EIAF Fc1ccc([C@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)cc1 1857545613 MZJCAWCKWVXSLO-HXUWFJFHSA-N 342.377 4.279 0 1 EIAF CC(=O)Oc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1 1857593914 LLPPCZIUFJFOTK-PKNBQFBNSA-N 347.370 4.256 0 1 EIAF CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1 13471420 QFFWSYBNWWOHJV-UHFFFAOYSA-N 345.508 4.187 0 1 EIAF Oc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 13745753 PPMPPMKWHZDSNI-UHFFFAOYSA-N 336.435 4.378 0 1 EIAF COc1c([C@H]2COc3cc(O)ccc3C2)ccc2c1C=COC2(C)C 14650511 FHUJPAOFRVLFNQ-CQSZACIVSA-N 338.403 4.356 0 1 EIAF endogenous,in-man CC1=CC[C@H]2[C@@](C)(C[C@@H](O)C[C@@]2(C)C(=O)O)[C@@H]1CCc1ccoc1 15164716 ULTPTACJJRNXEW-NLPMXTIOSA-N 332.440 4.047 0 1 EIAF biogenic Cc1cc(C)c2c(c1)/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2 27993328 YJDJAAUKUBEUGL-SGNWVPJISA-N 348.442 4.399 0 1 EIAF O=C(NN1CCc2ccccc2C1)Oc1c(Cl)cccc1Cl 29465094 NOXSFLOSFABMQK-UHFFFAOYSA-N 337.206 4.055 0 1 EIAF O=C(c1cc2cc(O)ccc2o1)N1CCC(Cc2ccccc2)CC1 35259637 YUSFRRNWMCVAHR-UHFFFAOYSA-N 335.403 4.233 0 1 EIAF CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 39198790 HDUXULDGVMFOCZ-OAHLLOKOSA-N 328.195 4.127 0 1 EIAF C[C@@]1(c2ccccc2)CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1 48999470 UUJAMNFWDAPMSE-RZUBCFFCSA-N 334.463 4.306 0 1 EIAF O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1CCCCC1 49802952 AWULEYCPANMUJM-UHFFFAOYSA-N 347.462 4.124 0 1 EIAF CCOc1ccc(-c2cc(NCc3ccc(F)c(F)c3)ncn2)cc1 82160422 DRNQXGFNRUHRQR-UHFFFAOYSA-N 341.361 4.433 0 1 EIAF COc1ccc(OC)c(-c2cc(N[C@H](C)c3ccccc3)ncn2)c1 82161227 JJVQQVKKNWPJCX-CQSZACIVSA-N 335.407 4.334 0 1 EIAF COc1ccc(CNc2cc(-c3ccc(F)c(F)c3)ncn2)cc1 82161686 ZOJBGGFGHCWEPC-UHFFFAOYSA-N 327.334 4.043 0 1 EIAF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccccc2)sc1C 82162738 UGDCOZCSGCYTNJ-UHFFFAOYSA-N 336.464 4.484 0 1 EIAF CCc1c(C(=O)NCCc2ccc(F)cc2)[nH]c2ccc(Cl)cc12 84671683 LYYFSBQHOLAWII-UHFFFAOYSA-N 344.817 4.495 0 1 EIAF CN1C(=N)N2[C@@H](CCc3ccccc3)CC[C@@H]2C[C@@H]1c1ccccc1 103262133 RJJBQNLWIDSKGI-PWRODBHTSA-N 333.479 4.464 0 1 EIAF Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2)on1 117180194 KTDFTMWYHOSQLG-UHFFFAOYSA-N 330.343 4.468 0 1 EIAF c1ccc(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc1 144151689 VQZPHNUNWLSBRO-UHFFFAOYSA-N 348.406 4.302 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O 238743145 LSXXATUHWQXQII-HFSMHLIXSA-N 346.467 4.165 0 1 EIAF O=C(O)c1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1F 587023524 KWSJTCCGGQDFFV-UHFFFAOYSA-N 339.351 4.191 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cccc2[nH]1 587069806 FMEBHGCABWAXLT-UHFFFAOYSA-N 349.615 4.404 0 1 EIAF COc1ccc(-n2cc(-c3cc4c5c(cccc5n3)CC4)cn2)cc1 587211027 JZMHHDRGHPFTOA-UHFFFAOYSA-N 327.387 4.195 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1O)O2 587381737 KRSLVVSXJQMESJ-OAHLLOKOSA-N 337.297 4.008 0 1 EIAF CCOC(=O)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527089 WBFVKCXWBWZZCW-YCRPNKLZSA-N 342.435 4.023 0 1 EIAF CCOc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1C 587777983 GNBNNSCFESUNOX-UHFFFAOYSA-N 332.306 4.259 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)ccn1 587863199 UGWSAANHFUNQCG-UHFFFAOYSA-N 333.313 4.270 0 1 EIAF COc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC 587925557 CRGKCZIETHAESQ-UHFFFAOYSA-N 338.741 4.103 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(C)=O)cc2[nH]1 587927315 ORXGOGKZPSGLHI-OAHLLOKOSA-N 338.407 4.325 0 1 EIAF CC(C)(O)c1ccc(Cn2c(C(=O)O)cc3ccc(Cl)cc32)cc1 653914360 HGKOGVHXYJSOKD-UHFFFAOYSA-N 343.810 4.269 0 1 EIAF O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1O 1857549081 LEVWWNWXRONSHZ-UHFFFAOYSA-N 333.668 4.456 0 1 EIAF CC(C)c1ccc(-c2ccc(NC3CCOCC3)c(C(N)=O)c2)cc1 1857632098 LFENGMKAAJHVFS-UHFFFAOYSA-N 338.451 4.167 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@](O)(CC[C@@H](C)[C@@]2(C)CCc2ccoc2)C1 2356379043 GFLGDURTANEUKG-OBUJGBQQSA-N 346.467 4.279 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)CC[C@@H]2[C@H](C=C1C)OC(=O)[C@@H]2C 2356588839 JMRFSMRCASRCOV-JWYNJWGYSA-N 334.456 4.199 0 1 EIAF O=Cc1c(O)ccc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c12 1633228 KMCHFCKHNHBQNL-UHFFFAOYSA-N 346.338 4.295 0 1 EIAF O=C(NCCC1=CCCCC1)Nc1noc2c1COc1ccccc1-2 6892858 WKHMRCXMTOVQPX-UHFFFAOYSA-N 339.395 4.246 0 1 EIAF FCCCN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 22924987 FFENYFYUTQOUSD-UHFFFAOYSA-N 347.305 4.293 0 1 EIAF Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCN 27436841 JOMXAPBRFZTHLB-UHFFFAOYSA-N 329.494 4.214 0 1 EIAF C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(-c2cnccn2)c1 28349068 SRDZBCSIQDVOKY-FEAKQIBJSA-N 347.393 4.173 0 1 EIAF CNCCN1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C 28771955 ZJPZIXYYOUMUOJ-CYBMUJFWSA-N 327.859 4.135 0 1 EIAF O=c1oc2ccc(Br)cc2c(=S)n1Cc1ccccc1 53295362 IXEXVYFZEZDPOJ-UHFFFAOYSA-N 348.221 4.135 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(Oc1nc(-c3ccccc3)nc3ccccc13)C2 100820499 GPNLLUUEZVTWAA-IAGOWNOFSA-N 345.446 4.301 0 1 EIAF CC(C)CCc1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103199110 GUKWDMYNJDQKHS-UHFFFAOYSA-N 345.390 4.341 0 1 EIAF Cc1nc(-c2ccc3c(c2)c([N+](=O)[O-])cn3C(C)C)sc1C(=O)O 167497306 LKPUSBFFGSHUDP-UHFFFAOYSA-N 345.380 4.261 0 1 EIAF Cc1ccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307886 QVLTZYFHGROMAX-IBGZPJMESA-N 344.418 4.252 0 1 EIAF COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@@H]1CC[C@H]2C(C)C)OC4 263636837 IUFGEQBIXNEGRY-NUKYBCBUSA-N 332.484 4.363 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586911610 MDGTVNDJBUOJGB-IFXJQAMLSA-N 336.439 4.067 0 1 EIAF N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587025869 SDQGMHARHADVDQ-NSHDSACASA-N 331.750 4.345 0 1 EIAF N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl 587055357 AZBFVURKWNRTRB-VIFPVBQESA-N 341.629 4.161 0 1 EIAF Clc1ncc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cn1 587086161 VEKCJCMWSKBDQQ-UHFFFAOYSA-N 336.782 4.252 0 1 EIAF COc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133713 AJXSSEHNEXJYJN-HWKANZROSA-N 340.251 4.437 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587162176 TYQLQNRHTKZZNG-JKSUJKDBSA-N 338.382 4.079 0 1 EIAF Cc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Cl 587162713 KXFRDCFUBVOPMA-UHFFFAOYSA-N 331.778 4.235 0 1 EIAF C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357871 WDOOBDHWRJGRDY-ZQBYOIRZSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)Sc3ccccc31)O2 587415738 WJEFMSYNUNUAIN-CWTRNNRKSA-N 325.433 4.322 0 1 EIAF CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426878 BXJVHOLGLLUMQY-DYESRHJHSA-N 337.419 4.030 0 1 EIAF Cn1cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 587517230 JMGMAIUXRMGDJA-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c1 587639205 XRLWEHDSMDQNKH-UHFFFAOYSA-N 347.292 4.424 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(C)c(-n3c(=O)oc(=O)c4ccccc43)c2c1 587644171 ORTYUZWFFWZJIW-LBPRGKRZSA-N 348.402 4.247 0 1 EIAF COc1cccc(C2(c3nc4ccnc(Cl)c4[nH]3)CCCC2)c1 587930172 DXUBZEUJESHPIS-UHFFFAOYSA-N 327.815 4.480 0 1 EIAF CC[C@]1(Cc2nc3c(C)nc(C)cc3[nH]2)CC(=O)c2ccccc2C1 587959825 IAGXYNMUIYQMJU-OAQYLSRUSA-N 333.435 4.343 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C[C@@H]12)OC(=O)[C@H]3C 2356626956 QPYNKFVRSIYHQA-IMGGPBQRSA-N 332.440 4.158 0 1 EIAF Oc1ccccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 25391727 SFICHRHMASLYLU-UHFFFAOYSA-N 344.458 4.304 0 3 EIAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccoc1 28226756 FQIBTFBVKAGCOG-UHFFFAOYSA-N 331.755 4.361 0 1 EIAF Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 40893256 JEXGOACDMHYCFT-UHFFFAOYSA-N 346.312 4.315 0 1 EIAF Cc1cc(C)c2cc(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1 45302242 XWCVXFHPIZLXSD-UHFFFAOYSA-N 347.466 4.253 0 1 EIAF Nc1nccc2cc(CNCCc3cccc(C(F)(F)F)c3)ccc12 66100861 FHGICQLRHVZVCW-UHFFFAOYSA-N 345.368 4.168 0 1 EIAF CN1C(=O)[C@@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C1=O 73197070 PQXORKQLQGHHDU-ZIAGYGMSSA-N 348.229 4.250 0 1 EIAF Cn1c2ccccc2c2ccc3c(c21)CN(Cc1ccccn1)CO3 95539448 FPOJLMZDJXMOGT-UHFFFAOYSA-N 329.403 4.079 0 1 EIAF CN(C)c1ccc(-c2cn(-c3ccnc4cc(Cl)ccc34)nn2)cc1 103269351 LVJHXDLSNFLFCU-UHFFFAOYSA-N 349.825 4.202 0 1 EIAF OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)CCC1 103539504 MFJCTHKDUKQUIO-AWEZNQCLSA-N 335.194 4.256 0 1 EIAF O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@H]3[C@H]1c1ccccc12 254113566 GTAUFWQVNOOSHQ-VROINQGHSA-N 348.442 4.301 0 1 EIAF Cc1c(Br)ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902778 MKDIYMZWZJRWPN-IUODEOHRSA-N 343.224 4.203 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587012689 ROWWISVPKGHCSI-UHFFFAOYSA-N 327.409 4.034 0 1 EIAF N[C@@H](c1ccsc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587025224 JRGCOTNDLPTBCH-JTQLQIEISA-N 342.649 4.088 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)ccnc2[nH]1 587044725 QFNXKKJRMCMNPE-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)ncc2[nH]1 587075107 BGIRDNAHBLWUGN-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF CC(=O)N[C@@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(C)cc1 587207380 SCBSEDRTPONKKU-KRWDZBQOSA-N 341.842 4.253 0 1 EIAF O=C(NCCc1nc2cc3ccccc3cc2[nH]1)OCc1ccccc1 587228691 WNVQWXAKDRSQLE-UHFFFAOYSA-N 345.402 4.185 0 1 EIAF COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C 587233089 HNHUFIQYEXUNKO-QWHCGFSZSA-N 345.443 4.041 0 1 EIAF COCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587384506 LLZDATSKPBXSEU-FQEVSTJZSA-N 343.398 4.004 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(C)C)cc1)O2 587398040 ADJRIPLBWAWKQK-LJQANCHMSA-N 325.408 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(F)ccc31)CC2=O 587471990 OBBJPCWPUGNVJU-HXUWFJFHSA-N 342.366 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC)nc1C(C)C)CC2=O 587474404 DICGJUKPQRQAOT-GOSISDBHSA-N 342.439 4.391 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1OC)CC2=O 587478911 KYBDAWBVWYEUIY-LJQANCHMSA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc(C)c(C)s1)CC2=O 587493902 IOMXARAWALWPJV-GOSISDBHSA-N 331.437 4.299 0 1 EIAF COc1ccc(-c2[nH]c3cccc(F)c3c2CCC(=O)O)cc1F 587634745 PNRNVPGYTCEBCY-UHFFFAOYSA-N 331.318 4.139 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3cc(OC)c(OC)cc3[nH]2)c1 587777570 AYSCSCKRDWXNDH-UHFFFAOYSA-N 342.395 4.045 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccsc2)N1 587853006 KFNUMDMIRFBXAK-RFAUZJTJSA-N 340.261 4.447 0 1 EIAF COc1ccc(CCCc2nc3cc(F)cc(F)c3[nH]2)c(OC)c1 587928869 OCFZHABDFJVZHO-UHFFFAOYSA-N 332.350 4.034 0 1 EIAF CCCCCn1cc(-c2cnc(N)s2)c(=O)c2cc(F)cc(F)c21 1772577220 BACATELHIOWPDO-UHFFFAOYSA-N 349.406 4.176 0 1 EIAF CCN1C(=O)[C@H](c2cccc3ccccc23)Oc2cc3c(cc21)OCO3 1857760015 OCRSOENEEBESRD-FQEVSTJZSA-N 347.370 4.055 0 1 EIAF CCCCCC=CCC=CC[C@@H](O)[C@@H](O)CC=CCCCC(=O)O 2356594550 DCJBINATHQHPKO-MOPGFXCFSA-N 338.488 4.382 0 1 EIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12 2356678767 SKEOCRMXHUICLS-BVSLBCMMSA-N 344.495 4.487 0 1 EIAF COc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1 4258342 LFOQBXJAFVJUTK-UHFFFAOYSA-N 342.402 4.313 0 3 EIAF OCC1(Cc2ccc(Cl)cc2)CCN(C[C@H]2CC=CCC2)CC1 11753638 QWDRQQHIYVUONN-SFHVURJKSA-N 333.903 4.313 0 3 EIAF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 12659056 JTFAPYUEBOLXAA-XYYCENQHSA-N 333.516 4.176 0 1 EIAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 13797522 UIAARIUTYORWEV-UHFFFAOYSA-N 342.761 4.290 0 1 EIAF in-vitro CCn1c(=O)n(CC)c2cc(-c3[nH]ncc3-c3cccc(C)c3)ccc21 14958565 YSSLVAIAOGYOQF-UHFFFAOYSA-N 346.434 4.208 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43/C=C/Cl)[C@@H]1CC[C@@H]2O 28568287 PHKKCWVLOCDAJQ-HUQBYNGMSA-N 336.903 4.404 0 1 EIAF C[C@@H]1CC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 29546432 TVMSYESYJXBYTC-WOIUINJBSA-N 338.495 4.361 0 1 EIAF C[C@@H]1CCCCN1CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 31848127 QLCJNTZIHPFEPH-OAHLLOKOSA-N 348.450 4.043 0 1 EIAF CCCC[C@@]12C[C@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 34821556 GLRSTYUPPYHLCG-OALUTQOASA-N 331.843 4.479 0 1 EIAF CCOc1cc(C(=C(F)F)c2ccc(OC)c(O)c2)ccc1OC 35789421 GPULFCUVMPYWAZ-UHFFFAOYSA-N 336.334 4.464 0 1 EIAF COc1ccc2cc(-c3cccc(C=O)c3)cc(CCNC(C)=O)c2c1 40951610 UPVFDHUOFQXFQX-UHFFFAOYSA-N 347.414 4.007 0 1 EIAF in-vitro COc1ccc(C(=O)c2coc3ccc(O)c(Br)c23)cc1 72177502 QZMLXBQIAHGMMZ-UHFFFAOYSA-N 347.164 4.141 0 1 EIAF CC(C)=CCc1ccc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1O)O2 95486193 QHQITHLCDFBNJP-SFHVURJKSA-N 340.375 4.019 0 1 EIAF biogenic,in-vitro Cc1ccc(Cc2cnc(-c3ccncc3F)c(C)c2)c(C(=O)O)c1 96173366 BLKOXOKANUAJDW-UHFFFAOYSA-N 336.366 4.189 0 1 EIAF Cc1nc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)cs1 96907775 APRCSRZMJCGPNC-UHFFFAOYSA-N 338.461 4.296 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2)N3C)cc1 100728345 HIQHQNWJRSNELD-FYZZASKESA-N 335.447 4.167 0 1 EIAF Oc1c2c(nc3c(-c4ccccc4)c(-c4ccccc4)nn13)CCC2 104027334 JDAMQQBZPURBSP-UHFFFAOYSA-N 327.387 4.258 0 1 EIAF Cc1ccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307887 QVLTZYFHGROMAX-LJQANCHMSA-N 344.418 4.252 0 1 EIAF Cc1nc([C@H](CC(=O)O)c2cccc(Br)c2)sc1C 221078415 UJQZIOCBKCFRDY-GFCCVEGCSA-N 340.242 4.129 0 1 EIAF CC(=O)O[C@@H]1C[C@@]2(C)C[C@H]3C[C@@]3(C)[C@@H](O)[C@@H]2[C@H]2[C@H](C(C)C)CC[C@]12C 238737902 FGLRSMNBNHZFPG-IPOFYZOOSA-N 348.527 4.424 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C2 586888711 XOHLXNMDLZQGKE-LPEHRKFASA-N 338.304 4.360 0 1 EIAF OCC12CCC(c3nc4cc(Cl)c(Cl)cc4[nH]3)(CC1)CC2 586895645 RIMLAERBQARKOF-UHFFFAOYSA-N 325.239 4.454 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccnc1C3 586988932 ZWNOQRAECHDGCY-UHFFFAOYSA-N 336.350 4.118 0 1 EIAF Cc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006590 IOBSUGYFTAUMKM-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF Cn1cc(-c2ncc(-c3nc4cccc(C(C)(C)C)c4[nH]3)s2)cn1 587021766 OTXNFWIBQZOOAZ-UHFFFAOYSA-N 337.452 4.384 0 1 EIAF COC(=O)c1cccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc12 587034315 SGMPTGQYJUKHHB-JTQLQIEISA-N 326.421 4.203 0 1 EIAF CCn1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587105247 USMBIFULKYGWAG-UHFFFAOYSA-N 325.371 4.330 0 1 EIAF Fc1nc(Cl)ccc1-c1nc2ccc(Br)cc2[nH]1 587177709 VEJYXUOANSSTGI-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Nc1ccc2oc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2c1 587251505 HJUIBWKEORMSFI-UHFFFAOYSA-N 346.159 4.460 0 1 EIAF COc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1C 587258598 PBLWDVDXHMIRLA-KRWDZBQOSA-N 331.419 4.276 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c3cccnc13)O2 587379273 HFSQWPJQMWIOQD-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF COc1ccc2c(c1)C(C)(C)C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587403604 PANAJWPJLXQGBY-OAQYLSRUSA-N 337.419 4.128 0 1 EIAF CC[C@]1(c2ccc3c(c2)CCCO3)CC(=O)c2cc(C)cc(N)c2O1 587413890 TZJAYOSHJUIZBY-OAQYLSRUSA-N 337.419 4.173 0 1 EIAF CC[C@@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440632 PMOMDKVPGNGITE-ZXNZOMRRSA-N 338.403 4.361 0 1 EIAF Nc1cc(F)cc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504491 JCPROIYBSQWFCS-KRWDZBQOSA-N 329.346 4.132 0 1 EIAF O=C1C[C@]2(C=COc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 587508302 OXPLVHQWHCNEGA-NRFANRHFSA-N 336.362 4.471 0 1 EIAF CC(C)c1ccc(C[C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962926671 YRQZENRGBMVQRC-FPOVZHCZSA-N 341.426 4.006 0 1 EIAF Oc1nc2cc([C@H]3NCCc4c(Cl)cc(Cl)cc43)ccc2o1 963120539 JMWYSMJDEHFSLW-OAHLLOKOSA-N 335.190 4.075 0 1 EIAF Cc1cc2cc([C@@]3(C)NCCc4c(C(=O)O)cccc43)oc2cc1C 963132444 QHGRGAZGYQRTRD-NRFANRHFSA-N 335.403 4.157 0 1 EIAF COC(=O)CC=C[C@H](C)[C@H](OC)c1cc(F)ccc1Br 1857621882 RPBLHNKNTOKICO-BONVTDFDSA-N 345.208 4.031 0 1 EIAF COc1cccc(/C=C2\C[C@@]3(OC(=O)c4ccccc4)CCCN2C3)c1 96018950 FKNLFJGTJYMNED-JJEHFPDLSA-N 349.430 4.131 0 3 EIAF CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1 13675997 HBILZCDAOBDBDT-UHFFFAOYSA-N 333.472 4.343 0 1 EIAF COc1c(Cc2ccc(O)cc2)c(O)cc2c1-c1ccc(O)cc1CC2 14444048 UXJRNDGACFTLIK-UHFFFAOYSA-N 348.398 4.168 0 1 EIAF biogenic,in-vitro O=C(O)c1ccccc1Nc1cccc(OC(F)(F)C(F)F)c1 28258777 WCIPOEPOMTWEQO-UHFFFAOYSA-N 329.249 4.365 0 1 EIAF Nc1cc(Cc2ccccc2)nc(SCCCc2ccccc2)n1 49053871 LYBBAONMSWIOGI-UHFFFAOYSA-N 335.476 4.375 0 1 EIAF CSc1ccc(CC(Cc2ccc(SC)cc2)NC(C)=O)cc1 49803375 YNTFMGFIRKOQIO-UHFFFAOYSA-N 345.533 4.420 0 1 EIAF COc1ccc(OC)c(-c2cc(NC[C@H](C)c3ccccc3)ncn2)c1 82161210 XOICVWTWNQHIEL-HNNXBMFYSA-N 349.434 4.376 0 1 EIAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 100794017 NBXHPPSAAQZXHP-RQGSJKACSA-N 337.463 4.394 0 1 EIAF Cc1csc([C@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 101433109 KUJKCGJIUCGPED-CVEARBPZSA-N 339.291 4.331 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 101812217 CSVCLUXIZUMABR-WOJBJXKFSA-N 349.474 4.161 0 1 EIAF O=C1NC[C@H](c2c(Cl)cccc2Cl)N1c1ccc2[nH]cnc2c1 116195361 DTBUWFXLDDEZES-CQSZACIVSA-N 347.205 4.141 0 1 EIAF C[C@@H]1[C@H]2Cc3ccc(N(C)C)cc3[C@@]1(C)CCN2Cc1ccccc1 169357325 RWYOXWWPQFYBCZ-ZQMYSKGWSA-N 334.507 4.477 0 1 EIAF CCC(=O)N[C@H]1CCCc2c(-c3ccc(Cl)cc3F)cncc21 220254258 WLCNXFPIAIQOFK-KRWDZBQOSA-N 332.806 4.445 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C 238781317 QNHNROHJVAPNMT-AFHBHXEDSA-N 330.424 4.316 0 1 EIAF CSc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1 250956326 SBUOMQCQIFLIKP-ROUUACIJSA-N 342.439 4.057 0 1 EIAF Cc1c(F)ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 586982892 RIWPSXOOGQWQHF-UHFFFAOYSA-N 333.160 4.252 0 1 EIAF CC(=O)C(C)(C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991900 KYXUTINGFRXGJB-UHFFFAOYSA-N 331.371 4.018 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(F)cc(Br)c3[nH]2)s1 587011793 KKKANJDJNFAVSF-UHFFFAOYSA-N 340.221 4.129 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097551 LAFXKPHVUDFDCK-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccc(F)c3)no1)O2 587384593 NDTLGPKHOKKSQZ-QGZVFWFLSA-N 338.338 4.078 0 1 EIAF COc1ccccc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587392395 ZCTSSPIXVUAUSP-HXUWFJFHSA-N 348.402 4.083 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccn4)c1)[C@@H](C2)C3=O 587435731 IZMNNFLNZRYSTA-JTSKRJEESA-N 343.382 4.246 0 1 EIAF COc1c(F)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501228 AQXYMNYOZRZUPL-SFHVURJKSA-N 326.367 4.420 0 1 EIAF COC(C)(C)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797839 XROIHVMWQNTWMR-QLJPJBMISA-N 344.268 4.153 0 1 EIAF Fc1cccc2c1[C@H](c1cccn1-c1cccnc1)N1CCC[C@H]1C2 963114574 VTBCJHWSBGTIIA-KKSFZXQISA-N 333.410 4.121 0 1 EIAF Cc1ccc2c(c1)c(CN(C)C)cn2CCCCN1CCCCC1 1857600015 UXBKVSUNSKZCBH-UHFFFAOYSA-N 327.516 4.277 0 1 EIAF c1ccc(Cn2cnc3ccc(-c4ccnc5[nH]ccc45)cc32)nc1 1857761057 QRHZZJBOUSWBHG-UHFFFAOYSA-N 325.375 4.023 0 1 EIAF O=c1c(CSC(=S)N2CCCC2)coc2cc(Cl)ccc12 42920286 JRSOITXMKLBLNZ-UHFFFAOYSA-N 339.869 4.060 0 1 EIAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)[nH]c(=O)c12 82158239 DDEPDGASNHZWBE-UHFFFAOYSA-N 339.439 4.219 0 1 EIAF CC1(C)CCCC[C@@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 98084530 UEANZADODZLWGO-LPHOPBHVSA-N 347.890 4.122 0 1 EIAF Cc1ccccc1[C@H]1C[C@H]2CC[C@H](CCc3ccccc3)N2C(=N)N1 103262081 NOSVBGHHJICOPH-QKNQBKEWSA-N 333.479 4.430 0 1 EIAF CC(=O)O[C@H]1C[C@@H](C(C)C)[C@H]2[C@H]3[C@H](O)[C@]4(C)C[C@@H]4C[C@]3(C)CC[C@@]12C 238737710 QORJGWVZZQZTGR-DPZUCKTFSA-N 348.527 4.424 0 1 EIAF CCCCCc1c(Cc2cccc(CN)c2)c2ccccc2[nH]c1=N 473124011 WCCBPQYVGNAKHX-UHFFFAOYSA-N 333.479 4.430 0 1 EIAF O=C(O)c1ccc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)cc1 474604793 DYGUWPIEOSEPIK-GDNBJRDFSA-N 345.420 4.001 0 1 EIAF Clc1nccc(-c2nc3c(Cl)ccnc3[nH]2)c1Br 586979215 JQYQGCYETYHIPV-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF COc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1OC 587022522 ZQKXSORWHDFRIH-UHFFFAOYSA-N 340.408 4.007 0 1 EIAF Fc1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1Cl 587041219 LODKCGLNQZWFDU-JKSUJKDBSA-N 347.846 4.302 0 1 EIAF Cc1c(-c2nc3ccnc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075170 DPFZTWVNRCNWDI-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Clc1ccc(C2=C[C@H](c3nc4cnc5ccccc5c4[nH]3)ON2)cc1 587077221 RXTCPXNNIFOWMT-QGZVFWFLSA-N 348.793 4.382 0 1 EIAF Fc1cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587137128 VAQPABXLKMXWGS-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587249739 FJCGSCIYEXYSJO-UHFFFAOYSA-N 347.349 4.316 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCNc3ccccc31)CC2=O 587483866 MQEWGZBAIONOEC-NRFANRHFSA-N 337.419 4.411 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587789345 CWXCDUPXTAXBBK-ZKANADHPSA-N 337.236 4.157 0 1 EIAF COc1cc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2cn1 587933502 YTSDPQLGHVNJDG-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF Cc1ccnc2c1CCN[C@@H]2c1ccc(Br)c(C)c1C 963070566 OJYJAEICGYPMOH-QGZVFWFLSA-N 331.257 4.004 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCOCC[C@@H]1C(F)(F)F 963104070 GYDMAMNBROSGHU-XIRDDKMYSA-N 343.364 4.030 0 1 EIAF O=C(c1ccccc1)c1c(-c2ccc(O)cc2)[nH]c2ccccc2c1=O 1772626392 FZZLBUOTVLWHIU-UHFFFAOYSA-N 341.366 4.132 0 1 EIAF CC=C(C)C(=O)OCc1cc(OC)c(OCC=C(C)C)c(OC)c1 2356444914 NWWWVLOLZVFKDF-UHFFFAOYSA-N 334.412 4.058 0 1 EIAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]21C 1546 OIIHTRLQCQVVQC-AZUBXHIKSA-N 326.484 4.343 0 3 EIAF biogenic CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cccs2)cs1 61903090 SEKHBYDADZGDED-OAHLLOKOSA-N 332.425 4.236 0 3 EIAF COc1cccc([C@](C)(O)c2nc(-c3ccccc3OC)cs2)c1 61906678 ABUGVMYRHRQPPS-IBGZPJMESA-N 341.432 4.083 0 3 EIAF C/C=C(/C)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 40896518 ZYXDZVXNXGUJAV-BNNQUZSASA-N 347.418 4.443 0 1 EIAF Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)O 66079203 XYBIQSDPXYWLPJ-UHFFFAOYSA-N 349.415 4.215 0 1 EIAF Cc1ccncc1N1C(=O)N(c2ccc3ncsc3c2)CC1(C)C 149258107 WHUMCYYKWPLBAD-UHFFFAOYSA-N 338.436 4.225 0 1 EIAF COc1ccccc1N1C(=O)CS[C@H]1c1ccc2ccccc2n1 169342654 MLVSGQZFPPMGMJ-IBGZPJMESA-N 336.416 4.022 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCC[C@H](N)C3)cc12 226059120 SHNSWJMXXCDMNG-OCCSQVGLSA-N 339.414 4.363 0 1 EIAF Fc1ccc(CNc2nc(N3CCCCC3)nc3ccsc23)cc1 299821253 CACKQWFIBFUELM-UHFFFAOYSA-N 342.443 4.433 0 1 EIAF N[C@@H](N=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587072988 BLFSDTUPAHIWFW-INIZCTEOSA-N 340.814 4.214 0 1 EIAF COC(C)(OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098138 VKWTYLQRFACNAL-UHFFFAOYSA-N 333.387 4.220 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3nc1Cl)O2 587380446 UWASSMXZSWABKE-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@](CCC(C)C)(c1ccoc1)[C@@H](C2)C3=O 587451992 CLGMQCFEGWZZHQ-OXJNMPFZSA-N 326.392 4.367 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(O)c(F)c1)CC2=O 587467926 VJLZMSNPTPVYAA-LJQANCHMSA-N 348.345 4.209 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)CC(C)(C)C[C@@H]1C 587487274 ZQHPIDKTUKDKKH-YUNKPMOVSA-N 330.424 4.074 0 1 EIAF CC[C@]1(C2(C(=O)OC)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587528087 ZHCNTVWYJPYECO-OAQYLSRUSA-N 342.435 4.023 0 1 EIAF NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772571957 GBKKZAUDQMBGGN-UHFFFAOYSA-N 343.641 4.252 0 1 EIAF COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccc2cccnc12 1772607266 BAARVIDDZAGAQJ-FUHWJXTLSA-N 336.410 4.276 0 1 EIAF COC(C)(C)C=CCC(C)=CCOc1ccc2ccc(=O)oc2c1 2356348826 HSQQMAPGYSIBOS-UHFFFAOYSA-N 328.408 4.489 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@@H](C)[C@@]21C 2356741851 WXXUTDJJIXJPLZ-JSOPPFHZSA-N 330.424 4.316 0 1 EIAF O=C(NCc1cccs1)c1cccc2c(-c3cccnc3)coc12 61904010 NJGAECRLLFCITD-UHFFFAOYSA-N 334.400 4.486 0 3 EIAF COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(C(C)(C)C)cc3)n2)c1 61908915 PDZYVVWKPGGUCX-IBGZPJMESA-N 336.435 4.465 0 3 EIAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)O[C@@H](C1CCCCC1)C2 95569404 REXXWSMHQUYRAQ-WBVHZDCISA-N 342.464 4.043 0 3 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1ccnn1 3993830 OKJRJJXKSVCWCZ-ZKHIMWLXSA-N 339.483 4.053 0 1 EIAF O=C1c2cc(Cl)c(Cl)cc2[C@@]2(c3ccccc3)SCCN12 6582013 PHJHAJANDKQZDE-MRXNPFEDSA-N 336.243 4.397 0 1 EIAF COc1c([C@@H](C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2 13978214 MCVWPJZBARCDLJ-CYBMUJFWSA-N 335.407 4.233 0 1 EIAF Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2Cl)n1 14945883 XHVVXSLELBPOBX-UHFFFAOYSA-N 335.798 4.497 0 1 EIAF COC(=O)[C@@H](C)n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O 28873218 RUMSKPVFQJSHKP-CYBMUJFWSA-N 325.408 4.044 0 1 EIAF Cc1noc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)n1 35965794 MLURKVCBYPYHPF-UHFFFAOYSA-N 342.424 4.153 0 1 EIAF COc1ccc(CN2[C@H](C)Cc3cc(OC)c(OC)cc3[C@H]2C)cc1 95784879 KQAFZKZNNTXWGL-HUUCEWRRSA-N 341.451 4.220 0 1 EIAF CCCCC/C=C\C/C=C\[C@H](O)[C@H]1O[C@H]1C/C=C\CCCC(=O)O 96095304 WWOUHSVXNYZFBQ-MCRRFWBCSA-N 336.472 4.399 0 1 EIAF in-vitro CC(C)c1oc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1O 169689417 XYEGNUBEUWUWRA-UHFFFAOYSA-N 330.171 4.454 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586893527 ZXRRWKWYHHRKIN-HZMBPMFUSA-N 335.329 4.122 0 1 EIAF CC1(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586991772 QFOSQFSMEMLVQY-UHFFFAOYSA-N 343.382 4.064 0 1 EIAF FC(F)(F)OCc1nc2cc(Cl)cc(Br)c2[nH]1 587126190 WYXXOQHHLYCYGU-UHFFFAOYSA-N 329.503 4.015 0 1 EIAF C[C@@H](c1nc2cccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128456 MLVZSULEWIWDCE-YFKPBYRVSA-N 347.703 4.292 0 1 EIAF Cc1cc(Br)c(-c2nc3cc(Cl)ncc3[nH]2)cc1F 587137548 BFEPDJUHJRSQLS-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF c1ccc(CN2C[C@H]3CCc4nc5cccc6c5c(c4[C@@H]3C2)CC6)cc1 587212078 LACCIWLYEVAZMC-UYAOXDASSA-N 340.470 4.495 0 1 EIAF COc1ccc(-c2nc3cccc4c3c(c2[C@H](C)C(=O)O)CC4)cc1 587213709 KJPNVDMROYMFHQ-LBPRGKRZSA-N 333.387 4.197 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2C2CC2)[C@H]1c1ccc(F)cc1 587348720 ASJZCOUNUVUTTR-CUWPLCDZSA-N 338.378 4.449 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(=O)O)c1 587365011 BYYDQGKIYWZGGT-CQSZACIVSA-N 345.354 4.381 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(F)c2CC[C@@H]1C 587386192 IQLYHRKTVQLLDN-FKIZINRSSA-N 325.383 4.159 0 1 EIAF COc1ccc([C@@H](C)[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403642 PFYGBMDTDXRDOY-XCLFUZPHSA-N 325.408 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)nc1Cl)CC2=O 587459634 FAZZXILCEAZVFM-INIZCTEOSA-N 331.799 4.408 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccccc2)N1 587815043 JUZIVFFRYPNXQK-MGPLVRAMSA-N 348.215 4.046 0 1 EIAF CSCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587847181 SFBGCPLCAKTYEE-YMTOWFKASA-N 332.282 4.091 0 1 EIAF CC(C)NC(=S)Nc1ncccc1OCc1ccccc1Cl 1857749895 CDBVEYRNWAONTM-UHFFFAOYSA-N 335.860 4.009 0 1 EIAF CC1(C)CC2=C([C](NCc3ccccc3)c3ccccc3N2)[C@@H](O)C1 2356867240 RVDXBRKMEXHPJS-IBGZPJMESA-N 333.455 4.217 0 1 EIAF C[C@H]1[C@@H](N(C)Cc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713522 GQMLPTBJDIFEEV-HGKSCXNLSA-N 346.540 4.140 0 3 EIAF Cc1ccc(-c2nc(C(=O)NC3CCCC3)c3n2CCCCC3)cc1 6749283 FONXOPZIXSKNTL-UHFFFAOYSA-N 337.467 4.257 0 1 EIAF c1ccc(OCCCN2CCN(c3cccc4ccoc34)CC2)cc1 13738308 OHVJHGIPYROWIF-UHFFFAOYSA-N 336.435 4.024 0 1 EIAF O=C(CCCCOCc1ccccc1)c1ncc(-c2ccccn2)o1 14980047 YYMQHFDGNJKEDZ-UHFFFAOYSA-N 336.391 4.306 0 1 EIAF CN1CCc2c(c(-c3ccc(F)cc3)nn2CCCc2ccccc2)C1 28012821 GLBTUVATQIKSAC-UHFFFAOYSA-N 349.453 4.310 0 1 EIAF CC(C)CNc1nc(CCc2ccccc2)cc(N(C)CC(C)C)n1 40954389 ITCWMUJOITWVFO-UHFFFAOYSA-N 340.515 4.422 0 1 EIAF Cc1cccc(Nc2nc(-c3ccnc(CCCO)c3)cs2)c1 45301492 LGQADKXTNZFLQK-UHFFFAOYSA-N 325.437 4.182 0 1 EIAF COc1ccc([C@@H]2O[C@H](C)[C@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 85980896 TWEGIGPRPZZEHS-UYVJDWJCSA-N 328.408 4.310 0 1 EIAF endogenous,in-man O=C(c1ccccc1)N1[C@H]2CC[C@H]1C(C(F)(F)F)=C2C(F)(F)F 102917370 MOQUFGYMVKYBAL-UWVGGRQHSA-N 335.247 4.095 0 1 EIAF N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 148891649 HNKLJSLPSPDIEF-SFTDATJTSA-N 328.415 4.421 0 1 EIAF COc1cc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)ccc1O 196847385 JPDORDSJPIKURD-BKMURAPUSA-N 342.391 4.214 0 1 EIAF CCC#CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1F 221127477 CNKBQTIZCNURMG-UHFFFAOYSA-N 341.773 4.374 0 1 EIAF OCc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 586895436 GZDHZHMOMZUXLA-UHFFFAOYSA-N 342.704 4.274 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586963869 RLYBNBHAEPFETI-JTQLQIEISA-N 330.384 4.395 0 1 EIAF Clc1cnc(Cl)c2[nH]c(-c3csc4c3CCOC4)nc12 587031724 LOHXZPLBXVVOFR-UHFFFAOYSA-N 326.208 4.066 0 1 EIAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c[nH]c(=N)[nH]c-2n1 587074169 RSNJNKWPAYEHGY-UHFFFAOYSA-N 335.798 4.013 0 1 EIAF Cc1nc2[nH]c(-c3cc(S)ccc3F)nc2cc1Br 587141290 OCJMJHSLHOTGCM-UHFFFAOYSA-N 338.205 4.124 0 1 EIAF COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C 587401286 VSIMCIQPRNLVOH-GOSISDBHSA-N 325.408 4.218 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1coc(C3CC3)n1)CC2=O 587489378 LSSKHZZDWBBTKA-IBGZPJMESA-N 327.380 4.091 0 1 EIAF C[C@@H](CC1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536870 XPLQZMLRGTXXNR-XOBRGWDASA-N 328.452 4.352 0 1 EIAF O=C(c1ccc(Cl)cc1F)n1nc2cc1Oc1ccc(F)cc1-2 587874323 VCYSDLRCZVFGBS-UHFFFAOYSA-N 332.693 4.276 0 1 EIAF C=Cc1c(O)c(OC)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 2356679997 OTPSUPTYLZWNMH-XTZNXHDOSA-N 326.348 4.010 0 1 EIAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@@]1[C@H](C)c1ccccc1 2356760648 BLLGOPLLCDRJQD-JZQHZSPMSA-N 329.484 4.436 0 1 EIAF C=C(C)[C@@H](O)CC[C@]1(C)C=Cc2cc(O)c(Br)cc2O1 13430765 RPOGCBIGULLXEB-BBRMVZONSA-N 339.229 4.036 0 1 EIAF biogenic CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CN1CCCCC1 13600260 QGJKYUARWVPLIT-JOCHJYFZSA-N 333.479 4.106 0 1 EIAF Cc1cccc(-c2nn3c(c2-c2ccc4c(ccn4C)c2)CCC3)n1 13684153 UHSVQDWWSUMJRF-UHFFFAOYSA-N 328.419 4.358 0 1 EIAF CC1=CC[C@@H]2[C@](C)(C(=O)O)C[C@H](O)C[C@]2(C)[C@@H]1CCc1ccoc1 15164719 ULTPTACJJRNXEW-HPUSYDDDSA-N 332.440 4.047 0 1 EIAF biogenic C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 22116556 LKAJKIOFIWVMDJ-MXRBDKCISA-N 328.500 4.118 0 1 EIAF COc1cc(C[C@@H](O)c2ccc3ccccc3c2)cc(OC)c1OC 26393265 KAFVEABCNHVTKW-GOSISDBHSA-N 338.403 4.142 0 1 EIAF Clc1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1Cl 28476579 PWJCIXJCGZCANX-UHFFFAOYSA-N 345.189 4.441 0 1 EIAF CCCCC[C@H](O)/C=C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)O 33953936 YNHSGCYEQVDEOY-COBRGRBVSA-N 334.456 4.175 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 36271119 YWDPQXQHYYMNDR-RYFAJOAYSA-N 349.474 4.475 0 1 EIAF O=C(c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64540019 TZFQAMTZBYHQFY-RTBURBONSA-N 341.838 4.163 0 1 EIAF CC(C)Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 66148381 JKLMAUXPMFIRQB-UHFFFAOYSA-N 331.799 4.489 0 1 EIAF Cc1cc(NC(=O)NC(=O)c2ccccc2Cl)c(C(C)C)cc1O 84704017 DSHQQDJLOWQZRJ-UHFFFAOYSA-N 346.814 4.439 0 1 EIAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)CC(N)=O)cc2)cn1 96167510 NEZQKQTVKNAOLV-HNNXBMFYSA-N 342.439 4.105 0 1 EIAF C[C@@H]1Sc2ccc(Cl)cc2C(O)=C1C(=O)Nc1ccccn1 100055725 SYAZNPMNIKVROG-VIFPVBQESA-N 332.812 4.137 0 1 EIAF COc1cc(OC)c2c(C)c(Cc3cccc(Cl)c3)c(=O)[nH]c2c1 144691895 MQUZVLHWGXLRAD-UHFFFAOYSA-N 343.810 4.098 0 1 EIAF Oc1cc(OCCOc2ccc(-n3cccc3)cc2)ccc1Cl 473136178 NPCCSYVISXKUMO-UHFFFAOYSA-N 329.783 4.294 0 1 EIAF CC1(C)COc2c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cccc21 586911989 NMQSDKGHKFXRDG-UHFFFAOYSA-N 336.288 4.456 0 1 EIAF COc1ccc2c(C)c(CCc3nc4ccccc4[nH]3)c(=O)oc2c1C 586917480 CUQVYZMNBCLCBN-UHFFFAOYSA-N 348.402 4.080 0 1 EIAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023829 QGSOMZSGJBECMH-UHFFFAOYSA-N 341.417 4.202 0 1 EIAF CCCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096544 LGSHIRQTPIXDES-UHFFFAOYSA-N 345.398 4.250 0 1 EIAF Fc1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127373 RPYPWMAPXUEAAM-UHFFFAOYSA-N 336.248 4.144 0 1 EIAF Cc1cc(Br)cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c12 587135055 RDRZTXMPXPZJDE-UHFFFAOYSA-N 338.155 4.161 0 1 EIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(CO)ccc3[nH]2)cc1 587157622 BZCUWXCSDVHROC-UHFFFAOYSA-N 346.361 4.341 0 1 EIAF Cc1cc(Br)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 587251843 PFQKSNXUGKWKHR-QPJJXVBHSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(C)cc(C)c3c1=O)O2 587407373 HPCPGECDAPFISA-QGZVFWFLSA-N 349.386 4.007 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@H]4CCCO4)s1)[C@@H](C2)C3=O 587453208 WAEOHCYWGFFKHP-XEKQOVJPSA-N 342.416 4.097 0 1 EIAF CC[C@@]1([C@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523613 LEWCIHCLQGZFHP-RXVVDRJESA-N 344.451 4.125 0 1 EIAF CC(C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576449 JBENCVKYRZIMPL-WIYYLYMNSA-N 349.386 4.478 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NCCc1ccccc1 587631441 MJXXUPRUYFOXBI-UHFFFAOYSA-N 330.790 4.241 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc3ncccc3c2[nH]1 587787259 MMIFNSLLYWBKIG-UHFFFAOYSA-N 345.402 4.244 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826920 GULVVFLBAQONGZ-JDNHERCYSA-N 338.220 4.422 0 1 EIAF COc1cccc(CCc2nc3cccc(Br)c3[nH]2)c1 587931305 NQCPRSLABJQLFB-UHFFFAOYSA-N 331.213 4.119 0 1 EIAF COc1nccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949815 KWHKITPNOGXNCF-UHFFFAOYSA-N 331.375 4.350 0 1 EIAF Cc1nc(N)sc1[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962665849 QWRRVPHNQRYGOJ-FQEVSTJZSA-N 335.476 4.110 0 1 EIAF COc1cc(-c2ccccc2)c(=O)c(C(C)=O)c(O)c1-c1ccccc1 1857534481 GBVIUMPPCVTUAB-UHFFFAOYSA-N 346.382 4.298 0 1 EIAF Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621287 XRXPOKDKTRPTPM-NQIIRXRSSA-N 330.431 4.198 0 1 EIAF CC[C@H](C)N(CC[C@](CC(C)C)(C(N)=O)c1ccccn1)[C@H](C)CC 27522994 SEAQJMHMJNQGCV-LVCYWYKZSA-N 347.547 4.140 0 1 EIAF COc1cccc2c1CCC[C@H]2N1CCN(C2CCCCC2)CC1 22931079 ZKMTXBPXPWCYGI-HXUWFJFHSA-N 328.500 4.023 0 1 EIAF CC(=O)Oc1ccc2c(c1)C[C@@H](C)n1c-2cc2cc(OC(C)=O)ccc21 29345735 NNXKAJLZJJAFPV-GFCCVEGCSA-N 349.386 4.276 0 1 EIAF Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@H](C)O2 26392041 WWJZJWIIIZNMSR-VIFPVBQESA-N 348.196 4.070 0 1 EIAF COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1 63298138 KAKFXRYHYUPXSU-UHFFFAOYSA-N 343.386 4.491 0 1 EIAF CNCC[C@H](c1ccccc1)n1c(=O)n(C2CCCC2)c2ccccc21 34986464 XBSXEAMPHZZPKZ-LJQANCHMSA-N 349.478 4.117 0 1 EIAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@@]2(C)CCC1=CCOC1=O 13402097 IYPOCJXQNIFGFO-XNFNUYLZSA-N 332.440 4.113 0 1 EIAF biogenic COc1ccc(C(=O)CCCc2ccccc2)cc1O[C@@H]1CCOC1 40379733 GHQKWQXABDARHD-GOSISDBHSA-N 340.419 4.069 0 1 EIAF c1ccc2c(c1)CN(CCN1[C@H]3CC[C@H]1c1c([nH]c4ccccc14)C3)C2 195281800 CTQHCPZZSHQSPL-AVRDEDQJSA-N 343.474 4.245 0 1 EIAF COCc1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1 144366783 ZSOAMIWBXGBKEI-UHFFFAOYSA-N 326.425 4.107 0 1 EIAF investigational CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc(Cl)ccn3)C2)cc1 96172926 NGVLSONUAXHFQI-CYBMUJFWSA-N 344.842 4.085 0 1 EIAF O=C(O)c1cc(-c2ccc(OC3CCCCC3)c(Cl)c2)ncn1 299856830 CGERSASIIWHGRE-UHFFFAOYSA-N 332.787 4.207 0 1 EIAF Cc1cccc(N(C)C(=O)c2ccc(-c3cccc(CO)c3)s2)c1 299839279 XMQWIVAUQNVYIT-UHFFFAOYSA-N 337.444 4.492 0 1 EIAF Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1Cc1ccc(Cl)cc1 653675518 RVHSRQZIOSJQRP-UHFFFAOYSA-N 349.821 4.242 0 1 EIAF CC(C)(CN1CCCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512527 DUXIFHKDAMDUPT-IBGZPJMESA-N 327.468 4.021 0 1 EIAF COc1ccccc1CNC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631379 KRIUVQYILNPJDV-UHFFFAOYSA-N 346.789 4.207 0 1 EIAF CCCCCCNC(=S)n1nc(-c2cccc(F)c2)cc1OCC 587871698 ABDQUBQSNYSPHQ-UHFFFAOYSA-N 349.475 4.391 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](COc1ccccc1C)CC2=O 587477002 DGDIINTUBZNWPM-AWEZNQCLSA-N 326.392 4.066 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccnc(Cl)c2[nH]1 587075516 HKBDXAPELDSFPZ-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF c1sc([C@H]2CCCO2)nc1-c1nc2ccc3c(c2[nH]1)CCCC3 587016861 OULBREGCDKTIFC-OAHLLOKOSA-N 325.437 4.417 0 1 EIAF Cc1cc(Cl)cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587068698 BAYHOIARSPXOFL-LBPRGKRZSA-N 334.250 4.463 0 1 EIAF Cc1ccc(C)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 587232718 AVUVNYSDCCFPHG-KBPBESRZSA-N 329.444 4.341 0 1 EIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](C2CCCCCCC2)N1 963228825 JIRQOIKWIFMRNP-WOJBJXKFSA-N 338.451 4.235 0 1 EIAF Cc1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nc1 13141384 WVWXVLVFURDYAS-UHFFFAOYSA-N 325.393 4.028 0 1 EIAF CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 13704163 OWGJQNXIWMMDTH-YSFYHYPLSA-N 339.479 4.087 0 1 EIAF O=c1c2ccccc2ccn1CCC1CCN(Cc2ccccc2)CC1 13730958 GCDBDMZTKCNPAH-UHFFFAOYSA-N 346.474 4.304 0 1 EIAF Cc1cccc2c1nc(C(O)(c1ccccc1)c1ccccc1)n2C 1857609912 BUGDPRSOXUDEBL-UHFFFAOYSA-N 328.415 4.166 0 1 EIAF COc1ccc(Cl)c(-c2ccc(NC(=O)C3CCOCC3)cc2)c1 1857645675 JWMCKNKDMLVPHM-UHFFFAOYSA-N 345.826 4.381 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(CCC)[C@@H]1C2 13453952 LKLDMKAWSUSARS-AZUAARDMSA-N 344.499 4.479 0 1 EIAF CC/C=C/CCOC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26393765 AEUZMXBITBLKGU-RMPMVWNBSA-N 336.472 4.354 0 1 EIAF O=C1CC[C@]2(C3CCCCC3)O[C@@H](COc3ccc(Cl)cc3)CN12 27520799 DPELOVWSZBPUJH-IEBWSBKVSA-N 349.858 4.017 0 1 EIAF COc1ccc2c(Oc3ccc4c(C(N)=O)cccc4c3)ccnc2c1 29134541 ISVKXCPIKLZVQW-UHFFFAOYSA-N 344.370 4.288 0 1 EIAF Cc1c2c(c(C)n1-c1ccccc1Cl)[C@@](C)(C(N)=O)CC2(C)C 39215384 BXBIAVIKLIDHID-IBGZPJMESA-N 330.859 4.172 0 1 EIAF CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N(C)C)cc1 72127536 AVHPOQHOAZUHSK-UHFFFAOYSA-N 336.435 4.372 0 1 EIAF COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@@H]2CC[C@@H]1O2 101501220 PSBDCZZMKYJTOI-HOCLYGCPSA-N 326.417 4.293 0 1 EIAF O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 103248118 CYULFLXZAPZIGD-CMDGGOBGSA-N 330.302 4.289 0 1 EIAF COc1cc(C(c2ccc(O)c(OC)c2)[C@H](C)[C@H](C)CF)ccc1O 299831484 QCVRIQWIRBKLSC-CHWSQXEVSA-N 348.414 4.489 0 1 EIAF O=C1CCC[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 586885107 XFVFTSBLOHGSOA-QMMMGPOBSA-N 347.287 4.229 0 1 EIAF O=C1O/C(=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586907880 YDKARQJJEJRCQW-QPEQYQDCSA-N 348.255 4.389 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cs1 587020699 DBAHXYKUWIKGIT-UHFFFAOYSA-N 346.337 4.183 0 1 EIAF Nc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1N 587083332 OYMMBOKFHUEWOC-UHFFFAOYSA-N 344.205 4.249 0 1 EIAF CC(C)N(C)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102895 AWOMVODPTPNXQM-UHFFFAOYSA-N 330.431 4.329 0 1 EIAF COC(=O)CCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587105624 BMJQUCNONMNACU-UHFFFAOYSA-N 345.398 4.332 0 1 EIAF COC(=O)[C@@H](C)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107110 PFOLZWRVWQUCEG-NSHDSACASA-N 331.371 4.031 0 1 EIAF N=c1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c[nH]1 587163793 LAROVDBLJKKAIR-JYRVWZFOSA-N 336.395 4.160 0 1 EIAF Fc1cc(Br)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587176220 ICEFFYDZRFCJFN-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF c1ccc(CN2C[C@@H]3Cc4nc5cccc6c5c(c4C[C@H]3C2)CC6)cc1 587212910 SHZFXBQMPWGZGL-OALUTQOASA-N 340.470 4.180 0 1 EIAF O=C(c1ccc(Br)cn1)c1coc2ccc(Cl)cc12 587276095 JODILSXXLAFBDK-UHFFFAOYSA-N 336.572 4.475 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1Cl)[C@@H](C2)C3=O 587424834 VZENWKXUIBTYFX-VOJFVSQTSA-N 332.758 4.151 0 1 EIAF O=C(CCc1ccccc1)c1nc2cc(F)c(Br)cc2[nH]1 587953662 PGHXJIWFIWABRX-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF C/C(=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCCC1 587966214 BKXUDZSTFUEEDG-DTQAZKPQSA-N 339.483 4.379 0 1 EIAF COCCC1([C@@H]2c3ccsc3CCN2Cc2cccnc2)CCC1 963007004 JJCBLOKFSRSBND-IBGZPJMESA-N 342.508 4.449 0 1 EIAF CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 1772655276 QPJLLWJCQYMGDR-OAQYLSRUSA-N 339.479 4.346 0 1 EIAF C[C@]1(c2nnc(-c3ccccc3)o2)CC(c2cccc(Cl)c2)=NO1 13478332 WQRNFMUEFPOIKI-GOSISDBHSA-N 339.782 4.430 0 3 EIAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H](CCC(C)=O)C2=O 5821090 NHZMSIOYBVIOAF-HNNXBMFYSA-N 332.440 4.464 0 1 EIAF biogenic CC(=O)Nc1ccc2c(c1)[C@@]1(C)CCN(Cc3ccccc3)[C@@H](C2)[C@H]1C 13742439 FTFOZMMDMFOELO-XARZLDAJSA-N 348.490 4.369 0 1 EIAF CC(C)c1nnc2ccc(-c3ocnc3-c3c(F)cccc3F)cn12 14961184 VXRMIEYRPJSGLL-UHFFFAOYSA-N 340.333 4.453 0 1 EIAF COc1ccc(C2=C(c3ccc(C)cc3)C(=O)N3CCC[C@H]3C2)cc1 28949732 FVMYFELVULVLEV-SFHVURJKSA-N 333.431 4.309 0 1 EIAF C[C@](O)(c1cccc(Cl)c1)[C@H](c1ccc(O)cc1)c1ccccn1 33605041 AFGHHQYPGGUUDY-UXHICEINSA-N 339.822 4.480 0 1 EIAF CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1 45254101 QKLYTDIWHVRIFT-UHFFFAOYSA-N 341.411 4.401 0 1 EIAF NC(=O)c1ccc(-c2cc(-c3cc4ccccc4s3)cnc2N)cc1 45338749 XDEUZRYXPNUQCN-UHFFFAOYSA-N 345.427 4.311 0 1 EIAF CC(C)Oc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1 49067645 BNVJFBAPKOPNPL-UHFFFAOYSA-N 337.375 4.486 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 58666203 IAPLTZHXXFXFMM-DZHLENKCSA-N 328.452 4.479 0 1 EIAF CCOC(=O)c1c(C)nc(NCc2ccccc2)nc1-c1ccccc1 71295312 KLIDXBCDJYMUGE-UHFFFAOYSA-N 347.418 4.241 0 1 EIAF COc1cc(-c2nnc(SCc3ccc(C)cc3)o2)ccc1O 84713015 MMSNHBSKHGCXCC-UHFFFAOYSA-N 328.393 4.052 0 1 EIAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3cc(C)ccc3C)coc2c1 95589194 XYXKPNZWSQKTLH-RMKNXTFCSA-N 349.386 4.070 0 1 EIAF CC(C)(C)c1ncc(C(=O)Nc2cc(O)cc(Cl)c2)nc1Cl 103198091 WSFHIVWNYVXBOT-UHFFFAOYSA-N 340.210 4.039 0 1 EIAF CC(=O)N[C@H](C)CCC1CCC(Oc2ccc(OC(C)C)nc2)CC1 118211380 BGSSITZNPKHFTP-FAEJEUNOSA-N 348.487 4.111 0 1 EIAF CC(=O)OCC1=C[C@H]2CC[C@@H]3[C@@](C)(CO)CCC[C@@]3(C)[C@]23CC[C@H]1C3 238777478 FIRHAFGBHDTMHZ-RKRYEMOQSA-N 346.511 4.491 0 1 EIAF CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=CCOC1=O 238778403 LHPTTZHNFUTODF-LNKGRISISA-N 332.440 4.113 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 250762712 WGPZAVZHAGYUOL-JYSYTYHISA-N 331.500 4.055 0 1 EIAF Brc1ccnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586885555 WHXPABHEMCRSSC-YPIXOSSWSA-N 332.245 4.188 0 1 EIAF COc1cc(OC)c2[nH]c(CCSCc3ccc(C)cc3)nc2c1 586971866 ZPJCYYJXRRBUQZ-UHFFFAOYSA-N 342.464 4.364 0 1 EIAF COCc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586989388 HEXLVVBFBKMHKB-UHFFFAOYSA-N 333.387 4.422 0 1 EIAF COC(=O)c1cccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c12 587067734 MZWKKMYHFYNULQ-LLVKDONJSA-N 344.798 4.451 0 1 EIAF CC1(C)COC2(C[C@@H]3Cc4nc5cccc6c5c(c4[C@H]3C2)CC6)OC1 587215376 GUTOVXZWQVBXHX-HOCLYGCPSA-N 335.447 4.152 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 587233652 VHSHGKADZUEAJH-UHFFFAOYSA-N 330.391 4.342 0 1 EIAF COc1cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2cc1F 587242099 PAJMRBRQMKZIJP-UHFFFAOYSA-N 341.386 4.362 0 1 EIAF CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402592 ZNQRPQLXHUUQGL-YJYMSZOUSA-N 325.408 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C=O)cs1)CC2=O 587492755 CPBYQTMWDXXSLN-GOSISDBHSA-N 330.405 4.099 0 1 EIAF C[C@@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497796 GTTYXUHZXWXYFJ-IBGZPJMESA-N 327.811 4.494 0 1 EIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 587530369 TWHMCQQCVVGIMM-PVKZKXHHSA-N 332.443 4.047 0 1 EIAF COc1cccc(C2(c3nc4c(Cl)ccnc4[nH]3)CCCC2)c1 587931025 KZVJDEGKBMONJF-UHFFFAOYSA-N 327.815 4.480 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1c[nH]c2nccc(Cl)c12 963110168 QPPRZXUJOWRKFS-UGSOOPFHSA-N 341.817 4.465 0 1 EIAF Clc1cccc(-c2cnc([C@H]3COCCN3C3CCCCC3)[nH]2)c1 2356302342 SGIRCOBJIOYFOF-GOSISDBHSA-N 345.874 4.436 0 1 EIAF CC1(C)O[C@H](C=Cc2ccccc2)[C@@H]2C(=O)O[C@H](C(C)(C)C)C[C@H]2O1 2356473028 QOMQQUBHNROENK-BDXSIMOUSA-N 344.451 4.198 0 1 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@H](C)N3C)[C@H]12 2356546244 FMPNFDSPHNUFOS-DDYSHWNRSA-N 345.527 4.419 0 1 EIAF CCCCC[C@H](O)C(=O)C[C@@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356630485 SQKPJSAFJDLBGU-ICSRJNTNSA-N 346.467 4.373 0 1 EIAF Oc1c(Cl)c(Cl)c(O)c(CCNc2nccs2)c1Cl 6585051 GRAQIRKMUUFLSU-UHFFFAOYSA-N 339.631 4.169 0 1 EIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@H](C)[C@H](C)C2 14726804 HGBHJZOMIICOBK-ZNLKAECVSA-N 342.435 4.378 0 1 EIAF biogenic CC(C)C[C@H](c1cccc(O)c1)N1CCN(Cc2ccccc2)CC1 27548995 WOISGNJACAUTGW-JOCHJYFZSA-N 338.495 4.297 0 1 EIAF CCCc1c(Sc2cccc3ccccc23)[nH]c2nc(N)nc(N)c12 40407799 FNKVTCBFBILUAN-UHFFFAOYSA-N 349.463 4.379 0 1 EIAF Cc1ccc(-c2nc[nH]n2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 73161407 AHXDEMOIYPJLCV-UHFFFAOYSA-N 344.418 4.211 0 1 EIAF COc1ccc(OC)c(-c2cc(N[C@H]3CCc4ccccc43)ncn2)c1 82167836 IJTOBMGFPGYHNK-SFHVURJKSA-N 347.418 4.260 0 1 EIAF O=C(/C=C\C=C/CC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 111461302 KAYVDASZRFLFRZ-LACVXDJBSA-N 339.435 4.334 0 1 EIAF C[C@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Cl)cc1 117722761 FRQMBTAFOBCSRS-XJKSGUPXSA-N 328.843 4.159 0 1 EIAF CC(C)c1cccc2c([Si](C)(C)C)c3c(nc12)-c1cccc(=O)n1C3 195432985 CSWCOOYQXCJZMJ-UHFFFAOYSA-N 348.522 4.094 0 1 EIAF Clc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1 587005504 XUERXBLPGJODNQ-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cccc(F)c2[nH]1 587167295 LPFJQAATDHBMMA-OAHLLOKOSA-N 342.349 4.210 0 1 EIAF CN[C@@H](c1cccnc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587223602 CNINPEDJWULYBA-IBGZPJMESA-N 330.391 4.059 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cc1)[C@@H](C2)C3=O 587430562 JBEPRPVUDCUFNN-HTAPYJJXSA-N 345.398 4.283 0 1 EIAF CC(C)Oc1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587519122 UUXYOMZAWCLXOI-IBGZPJMESA-N 337.419 4.454 0 1 EIAF CCn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578022 PNXYQHVJFVFFTC-NQIIRXRSSA-N 349.386 4.091 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1 587600356 AXPNYODEZORJPC-UYAOXDASSA-N 346.382 4.355 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587775372 ZMYFSFRFMJTEKF-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccncc2)N1 587776133 BEGKPMODAZZSBZ-PIGZYNQJSA-N 349.247 4.191 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2)cc1O 587786089 HHVWGCHKWUXJLJ-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CC2(C)C)N1 587815767 QACKTDNFFBXDEE-BIZFCNDTSA-N 326.253 4.384 0 1 EIAF COc1ccc(CCCc2nc3cc(F)c(F)cc3[nH]2)c(OC)c1 587928893 OYNSFWOYBUGQRJ-UHFFFAOYSA-N 332.350 4.034 0 1 EIAF CC(C)c1nn(C)c2c1[C@H](c1c(Cl)ccc(Cl)c1F)NCC2 962917266 MADFJHZPLJRYFA-INIZCTEOSA-N 342.245 4.225 0 1 EIAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)C1CCCCC1 1772590973 BCQNQQCMVBIGOL-QGZVFWFLSA-N 332.831 4.401 0 1 EIAF COc1ccccc1CC(=O)c1ccc2c(c1OC)C=CC(C)(C)O2 1857763110 PABTXSDANLFWKE-UHFFFAOYSA-N 338.403 4.313 0 1 EIAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccccc2)=NO1 12477223 USDZOYSEBPSUQX-GOSISDBHSA-N 339.782 4.430 0 3 EIAF COCc1cccc(-c2csc([C@@H](N)c3ccc(F)c(F)c3)n2)c1 61898053 XSKCSDVZTFZBOP-KRWDZBQOSA-N 346.402 4.283 0 3 EIAF O=C1N[C@H](/C=C/c2ccccc2Cl)Nc2sc3c(c21)CCCC3 230062 ILRWXLSWCQXNNR-FEAKQIBJSA-N 344.867 4.475 0 1 EIAF Cc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(F)cc4)[nH]nc3n2)c1 6748968 VFJMJNPBELZATQ-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 11422392 AGWBMRMDTWHPJM-ORAYPTAESA-N 328.843 4.076 0 1 EIAF C[C@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 14439459 FMPNFDSPHNUFOS-LUOJNFDZSA-N 345.527 4.419 0 1 EIAF CCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nccc(C)c12 28222301 JYUUBTWSNUVHFG-OAHLLOKOSA-N 345.487 4.270 0 1 EIAF O=c1cc(O)c2ccc3c(c2o1)C=CC1(O3)C2CC3CC(C2)CC1C3 40975212 ZORIJZYDOMNUDD-UHFFFAOYSA-N 336.387 4.099 0 1 EIAF OC(c1cnc(Oc2ccccc2)s1)(C(F)(F)F)C(F)(F)F 64540302 YIXVYNMOQWNXDE-UHFFFAOYSA-N 343.248 4.248 0 1 EIAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1-c1ccc(O)cc1 68245903 JSBOHMYHRMOLNZ-XJKSGUPXSA-N 338.403 4.159 0 1 EIAF c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cc[nH]c1)c1cc[nH]c1 100728994 FTHMSNDPXJXXQI-FGZHOGPDSA-N 338.434 4.055 0 1 EIAF COc1ccc([C@@]2(OC)C=CC(C3CCC3)(C3CCC3)OC2)cc1 103173613 DMOFYPMCPTWSHA-HXUWFJFHSA-N 328.452 4.462 0 1 EIAF C[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(F)c1 165391212 BZMYCBISXGQOME-NSHDSACASA-N 342.399 4.227 0 1 EIAF Cc1nc2cc(Br)ccc2nc1Oc1ccccc1N 473105913 UDEIRRUVZGOQOI-UHFFFAOYSA-N 330.185 4.075 0 1 EIAF O[C@H]1C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 586903246 OQXYNCKUVUWXDC-BMIGLBTASA-N 347.187 4.034 0 1 EIAF c1ccc(C[C@@H]2N[C@@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 587040620 IMOKPADNSZBLAH-QZTJIDSGSA-N 346.459 4.057 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCN3C(C)C)O2 587399602 KSKNUWLETXAIAC-HXUWFJFHSA-N 336.435 4.055 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)on1)O2 587415385 ZQRVQXCVJHEXGF-AWEZNQCLSA-N 326.377 4.000 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)([C@H]1C[C@@H]1c1cccs1)[C@@H](C2)C3=O 587448755 BYXMGYXIUJZVNM-MNUAXYBXSA-N 326.417 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1OC(C)C)CC2=O 587490566 YHBAJRQXTSMLAJ-GOSISDBHSA-N 341.407 4.233 0 1 EIAF C[C@]1(c2ccc(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507829 TZNPAQGKUZCODP-HXUWFJFHSA-N 325.383 4.167 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccncc2)N1 587779947 WXNLWARFUOVPKU-RJWUCKNRSA-N 347.231 4.272 0 1 EIAF OCc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949430 GKYTYDFJDRCUDX-UHFFFAOYSA-N 330.387 4.438 0 1 EIAF Clc1ccc(COc2cncc(C3=CCNCC3)c2)c(Cl)c1 1857772204 SGWBZQSZGBEUIT-UHFFFAOYSA-N 335.234 4.344 0 1 EIAF CC=C(C)C(=O)OCC1=CCCC(C)=C[C@H]2OC(=O)C(C)=C2CC1 2356614173 KGWAJNHQUWKJGM-GOSISDBHSA-N 330.424 4.184 0 1 EIAF COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c1CC[C@@H]2N 13914738 JHFAAJOOTIXXGZ-KRWDZBQOSA-N 338.451 4.191 0 1 EIAF CCO[C@H](/C=C/c1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 14504364 IADMDBFYOJAYAV-QZPPMBFNSA-N 326.436 4.194 0 1 EIAF biogenic,in-vitro CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@H]3C(=O)C[C@@]21C 17148515 INESPPDNHLGBPH-HPLDYNLYSA-N 342.479 4.149 0 1 EIAF biogenic CCOc1cc2c(cc1O)C(=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26490928 MWMQARHZUCGXAL-IXAODXNMSA-N 344.451 4.038 0 1 EIAF OCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1O 28564067 XSPXTJQCESOGST-UHFFFAOYSA-N 343.386 4.004 0 1 EIAF CN(C)CC[C@@H](NC(=O)Cc1ccccc1)c1ccc2ccccc2c1 28654015 METIPYMTOPSGDD-JOCHJYFZSA-N 346.474 4.192 0 1 EIAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(NC(=N)c3cccs3)cc12 34805994 NXMUTZARWRLWNI-OAHLLOKOSA-N 338.480 4.304 0 1 EIAF O=C(Nc1ncc(-c2ccccc2Cl)s1)c1ccccc1O 64564373 KYAARPYYXVMPBG-UHFFFAOYSA-N 330.796 4.421 0 1 EIAF COc1ccc(C(=O)c2coc3c(Br)cc(O)cc23)cc1 72177503 MXSIXRWLSWWDLZ-UHFFFAOYSA-N 347.164 4.141 0 1 EIAF COc1cccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)c1 72183147 ZKMUSSFKNNELQX-UHFFFAOYSA-N 338.451 4.409 0 1 EIAF CCCCC[C@@H](C)NCc1coc(-c2cc(OC)cc(OC)c2)n1 72186389 PRAFOIVZTFYXQP-CQSZACIVSA-N 332.444 4.417 0 1 EIAF Cc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587043589 SGFRWBMBBKGQQF-OAHLLOKOSA-N 343.839 4.180 0 1 EIAF CN1[C@H]2CC[C@H]1c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587105754 HMIYWJWGORBSCP-SGTLLEGYSA-N 326.399 4.138 0 1 EIAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cnncc2[nH]1 587128416 MYMJPRKAEPXCSO-UHFFFAOYSA-N 329.335 4.081 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C)c3ccccc31)CC2=O 587475972 RTUXFVVARANTBK-NRFANRHFSA-N 337.419 4.045 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(O)cccc31)CC2=O 587479617 IOVAEKOBCUOWIA-OAQYLSRUSA-N 338.403 4.247 0 1 EIAF CCOC(=O)C[C@]1(C2(C)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522300 GXVZOWDOJVQYIL-NRFANRHFSA-N 342.435 4.023 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccncc2)N1 587779738 VMEJHOUGDVCAJX-YWJIVZJLSA-N 347.231 4.272 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 587784762 JADJJMOKDRVQIA-CABCVRRESA-N 338.432 4.228 0 1 EIAF COc1cc2ncnc(Nc3ccc(C)c(O)c3Cl)c2cc1OC 653720602 XPEVSMSGIHLOSK-UHFFFAOYSA-N 345.786 4.058 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc2c(c1)OCCCO2 963097711 GEWKYSHLTWOOOV-UWJYYQICSA-N 339.410 4.097 0 1 EIAF CCN(CC)c1ccc(-n2c(=O)c3c(C)onc3c3ccccc32)cc1 1857550543 LKBNZWZVXBEUMK-UHFFFAOYSA-N 347.418 4.287 0 1 EIAF CCC[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1857571080 VHPILGCUNWATFW-FQEVSTJZSA-N 333.435 4.149 0 1 EIAF CCC(C)=C[C@@H]1C(=O)O[C@@H]2C=C[C@@H](C(=O)OCCC(C)C)CC[C@H]21 2356809359 AQGUKTHRCNAALC-XLAORIBOSA-N 334.456 4.056 0 1 EIAF CC1=CN2N=C(NC(=O)c3ccc(Cl)cc3Cl)S[C]2S1 2356867220 MMYABZKSTODGBT-UHFFFAOYSA-N 345.256 4.098 0 1 EIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@H]4[C@H]3CC[C@@H]2C1 13111116 KCXUMZXWLRGXME-PQCYQFCNSA-N 348.483 4.256 0 3 EIAF CCN(CC)CCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 13553565 TZIOFZONKQVFAH-FQEVSTJZSA-N 337.467 4.355 0 1 EIAF O=C(C(=O)N1CCCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12 13560047 JZYDLFIKBFDTJA-UHFFFAOYSA-N 346.430 4.420 0 1 EIAF Cc1cc(-c2c(F)cc3c(=N)ccn(C4CC4)c3c2F)cc(C)n1 27328599 NPANHLMPSYXETP-UHFFFAOYSA-N 325.362 4.413 0 1 EIAF O[C@@H](CNC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 45303006 HBFZRYCJHBPJDA-BMRMXDDPSA-N 339.401 4.297 0 1 EIAF COCCO[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 61946901 QMWXAQBRHJMZPT-CPDXTSBQSA-N 348.527 4.342 0 1 EIAF CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(C=O)s1 95581275 HVQRAUAUXIIQLZ-IBGZPJMESA-N 348.427 4.356 0 1 EIAF Fc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 100758635 ZBKITZYQNFJNIF-QZTJIDSGSA-N 329.390 4.354 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1 586880783 RXWUPKZGTDXJOA-AATRIKPKSA-N 334.162 4.133 0 1 EIAF Brc1nccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586884769 IUYJDDKPFHZCJX-SJKOYZFVSA-N 340.224 4.092 0 1 EIAF Nc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1N 587083614 CDNLTLQEOPHYHP-UHFFFAOYSA-N 335.798 4.110 0 1 EIAF Cc1nn(C)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105149 QIMMBDQABKZPBC-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF CC(=O)c1ccc(-c2cc(-c3nc4cc[nH]c(=N)c4[nH]3)ccc2F)cc1 587139550 OPRROUPYHJKUDB-UHFFFAOYSA-N 346.365 4.046 0 1 EIAF Fc1ccc(/C=C\c2nc3cc(Br)ncc3[nH]2)c(F)c1 587149161 MENJATNXKGJLBF-RQOWECAXSA-N 336.139 4.169 0 1 EIAF Cc1ccc2c(ccc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c32)n1 587162763 LJIBRXLBZRRDKZ-UHFFFAOYSA-N 348.381 4.130 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(-c3ccccc3F)c1)O2 587384877 KIAFSRUKFSWBGX-LJQANCHMSA-N 336.366 4.214 0 1 EIAF CC1(C)C[C@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587528951 HAOVBHKVFHKUIB-IERDGZPVSA-N 342.435 4.180 0 1 EIAF CCCOc1cccc(Cc2nc3ccc(Br)nc3[nH]2)c1 587570315 VFEFCWMHWPFZFW-UHFFFAOYSA-N 346.228 4.100 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]2C1CCC1 587603997 QMAHLNMFMLURIP-UQASEVPWSA-N 336.387 4.303 0 1 EIAF CC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587702644 FDOJJAFDRXNZKT-MADCSZMMSA-N 340.158 4.290 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(SC)cc3[nH]2)cc1 587938544 WYFFMGKGYLNEHL-PIGZYNQJSA-N 328.437 4.131 0 1 EIAF Cc1c([C@@H]2NCCc3nc4ccccn4c32)[nH]c2c(Cl)cccc12 962989538 RFTLBDMDDPZKDJ-SFHVURJKSA-N 336.826 4.013 0 1 EIAF COc1ccc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1 61895607 PSMVQXQAGSUKGZ-FQEVSTJZSA-N 330.387 4.320 0 3 EIAF COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCC(C)C)cc3O[C@H]21 5962711 JGUCMKGSUDQQQC-MGPUTAFESA-N 342.391 4.045 0 1 EIAF Nc1nc(N)c2c(CSc3cccc(-c4ccccc4)c3)coc2n1 5974813 HKQLLSDRBFXVOP-UHFFFAOYSA-N 348.431 4.347 0 1 EIAF CC(C)(C)c1cc(NC(=O)Nc2ccncc2)n(-c2ccccc2)n1 12365478 OTMHFRGADGWKEB-UHFFFAOYSA-N 335.411 4.209 0 1 EIAF C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C 13477393 MYEVCMOLMLFGOC-FVTIIWQTSA-N 331.500 4.031 0 1 EIAF O=c1oc(-c2ccc(O)cc2)cc(O)c1SCCc1ccccc1 14943745 NNMBWFBLHKMVSF-UHFFFAOYSA-N 340.400 4.053 0 1 EIAF CCCCN1CCN(CC)[C@@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 27316747 PNGLITRWIUZBTJ-TZIWHRDSSA-N 325.500 4.201 0 1 EIAF COC(=O)[C@H](C)n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O 28873223 RUMSKPVFQJSHKP-ZDUSSCGKSA-N 325.408 4.044 0 1 EIAF Clc1ccc(Cl)c2c1nc(OCc1ccccc1)c1nncn12 84705415 CHFORGKADQTUNB-UHFFFAOYSA-N 345.189 4.163 0 1 EIAF CN(C)Cc1ccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1 148952387 ZCAJHAFNVYLOOT-UHFFFAOYSA-N 346.409 4.264 0 1 EIAF O=c1oc2ccc(Cl)cc2n1CN1CCCC[C@@H]1c1ccccc1 169341755 WSXHAYCPQWYXIH-MRXNPFEDSA-N 342.826 4.433 0 1 EIAF CCc1cc(O)nc(SCc2nc3cccc(C(C)(C)C)c3[nH]2)n1 586967368 YOJHZCRKFPURMQ-UHFFFAOYSA-N 342.468 4.211 0 1 EIAF COc1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 586975750 FQKQUNOZMLXAKH-UHFFFAOYSA-N 331.213 4.233 0 1 EIAF CCOC(=O)/C=C(\C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108214 XHRJKLNOHGZVBL-ACCUITESSA-N 343.382 4.413 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587161859 RTVBIBNUVXXSSY-WDEREUQCSA-N 332.281 4.295 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C(=O)O)CC3 587205664 BLQNECFIXVUJOD-LBPRGKRZSA-N 343.382 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(-c3ccccc3C)c1)O2 587388900 BRHOHMGNJZFDIY-HXUWFJFHSA-N 332.403 4.383 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1OC)CC2=O 587463315 WNAKHXXWVYTGCG-OAHLLOKOSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(F)c31)CC2=O 587472688 VBBGOYVYPJHTJB-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]([C@@H](C)O)(C1(C)CCCCC1)CC2=O 587479751 CKSSJGGVVIYDQI-SZNDQCEHSA-N 346.467 4.400 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1cnccc1C)CC2=O 587488841 KPDLJNFGDHMLKB-OAHLLOKOSA-N 325.408 4.015 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cccc(C)c3n1)CC2=O 587490967 QJJGULLRYHUYML-GOSISDBHSA-N 336.391 4.007 0 1 EIAF C[S@](=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531202 GQQTZXODWXIUTL-CYFREDJKSA-N 340.444 4.009 0 1 EIAF CCOC(=O)c1c(-c2nccn2C)[nH]c2ccc([C@H](C)CC)cc12 587644018 ZAETUFLGCPTAPL-GFCCVEGCSA-N 325.412 4.259 0 1 EIAF Clc1cc2nc(COC/C=C/c3ccccc3)[nH]c2nc1Cl 587780444 AJJHRPSQOBRBLP-QPJJXVBHSA-N 334.206 4.495 0 1 EIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(F)cc1 653694207 MMMPPRKCXFGSIV-UHFFFAOYSA-N 334.350 4.164 0 1 EIAF COc1ccc(-c2nn[nH]c2-c2csc3ccccc23)cc1OC 653764375 SBLFWQKDQRUDID-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](C2CCCCCC2)N1 962981552 VEAOIVJSIGJDNI-XJKSGUPXSA-N 343.801 4.229 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@H](C)c1ccccc1 963037970 RGTNORYSQVEWQU-QRQCRPRQSA-N 332.447 4.408 0 1 EIAF C[C@H](C[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21)C(=O)OC(C)(C)C 963092957 BGANUWUAUJGASO-UKPHBRMFSA-N 333.447 4.255 0 1 EIAF CCN(CC)CCCOC(=O)[C@@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2 5649803 BDNMABJZSXTKAQ-FBBABVLZSA-N 329.484 4.020 0 1 EIAF in-man COc1cc(NC(=O)/C=C/c2cccc(F)c2)ccc1-c1cnco1 13818701 PJWHGINWDORWEW-VMPITWQZSA-N 338.338 4.141 0 1 EIAF CC(C)CCNc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 27983354 YRSSQCCKCGJWEY-UHFFFAOYSA-N 339.391 4.329 0 1 EIAF Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1 52961945 MKIZKMFJTXEUHC-UHFFFAOYSA-N 332.451 4.039 0 1 EIAF COC(=O)c1cc(CCc2ccccc2)nc2ccc(Cl)cc12 72106101 WJKVHXSDPAYRCK-UHFFFAOYSA-N 325.795 4.460 0 1 EIAF COC(=O)c1cc(Cc2ccccc2OC)nc2ccc(Cl)cc12 72111244 OUGDPQNBEPGGJL-UHFFFAOYSA-N 341.794 4.274 0 1 EIAF CC(C)Oc1ccc([C@@](O)(c2cccnc2)c2ccccc2F)cc1 72184439 HZWMOOVPDUBBSO-OAQYLSRUSA-N 337.394 4.292 0 1 EIAF Oc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3[nH]cnc23)cc1 73224283 DVJXBMQCLHDFIV-UHFFFAOYSA-N 337.770 4.123 0 1 EIAF Cc1ccccc1Nc1nnc([C@@H](O)c2cccc(Cl)c2)s1 82078059 MIZNPFSKACTMJJ-AWEZNQCLSA-N 331.828 4.325 0 1 EIAF N=[S@@](=O)(NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 101228941 CSWDCNAHHKISFH-OAQYLSRUSA-N 344.223 4.136 0 1 EIAF Cc1cc(C)nc(Sc2cc(O)n(-c3ccc(C)c(C)c3)c2O)n1 169691404 AGBUUBJFVUYBSV-UHFFFAOYSA-N 341.436 4.063 0 1 EIAF COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C=C[C@@](C)(CC[C@H]3[C@]2(C)CC[C@H]1O)C4 238775537 LFZKYFUJTHRDRN-JXIMHRGCSA-N 332.484 4.099 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)ccc(C)c2[nH]1 586915142 BDPCGBRLOXLCRQ-HRAATJIYSA-N 334.419 4.396 0 1 EIAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cnncc3[nH]2)c1 587095400 XIOWWUUVHAENBE-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF CNc1c(F)cccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587136195 WVVIVDJFOGNITN-UHFFFAOYSA-N 325.265 4.309 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587196844 YSPRMAOMQJBYCW-SNVBAGLBSA-N 334.345 4.195 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4c(C)cccc14)[C@@H](C2)C3=O 587436871 BSXBVQMIXKMKNG-BTYIYWSLSA-N 333.387 4.148 0 1 EIAF CCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455893 QWWFUKYCLSGWQN-IUSZMWJPSA-N 344.451 4.187 0 1 EIAF CCn1c(C)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577050 LRARPPCGQBVFPR-RXVVDRJESA-N 349.386 4.225 0 1 EIAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cnn(C)c3)[nH]c12 587624697 RSQYHBNGWLRLLD-UHFFFAOYSA-N 341.720 4.275 0 1 EIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)c(-c3ccccc3)c2c1 587650726 CCDFDKDQMZWQOS-UHFFFAOYSA-N 348.427 4.300 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2n[nH]c3ccc(C)cc23)N1 962963461 ZATACGXCGWYRGY-ASSNKEHSSA-N 330.435 4.366 0 1 EIAF CC[C@]1(c2ccc3c(c2)OCO3)c2c(F)cccc2C[C@H]2CCCN21 963118221 ZAXJYBXPCUCJPE-IERDGZPVSA-N 339.410 4.229 0 1 EIAF COc1cccc(Nc2nc(-c3ccccn3)nc3ccccc23)c1 1772641692 KUGQHLJFHASVHO-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF O=C(Nc1ccn2cc(-c3cccc(F)c3)nc2c1)N1CCCCC1 1772652527 VTLKYNBJXPXWCB-UHFFFAOYSA-N 338.386 4.158 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@H](c1ccccc1)NC(=O)N2C 1911573104 XFBRDTMFVAACDR-LJQANCHMSA-N 333.391 4.207 0 1 EIAF CCC=CC[C@@H](O)[C@@H](O)CC=CCC=CCC=CCCCC(=O)O 2356345822 BLWCDFIELVFRJY-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF Cc1c(-c2ccccc2)[nH]c(C(=O)O)c1/C=C/C(=O)Nc1ccccc1 13778846 MDJOKMGQXKNAQB-OUKQBFOZSA-N 346.386 4.340 0 1 EIAF CCCCC[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C/C=C/CCCC(=O)O 33822281 RFCYXKNVYQOCTM-CUXRCCIBSA-N 336.472 4.158 0 1 EIAF Fc1cc(F)cc(CNc2cc(Oc3ccccc3F)ncn2)c1 34053386 DNLGDJHCZWZVMK-UHFFFAOYSA-N 331.297 4.298 0 1 EIAF CCSC[C@@H]1C[C@](C)(O)C[C@H](c2ccc(Br)cc2)O1 40899260 DDRDTFVBIXPAIT-ZNMIVQPWSA-N 345.302 4.173 0 1 EIAF COc1ccc(-c2cc3cc(I)ccc3[nH]2)cc1 53294690 IOOLTPQPDKMPQS-UHFFFAOYSA-N 349.171 4.448 0 1 EIAF CC(=O)O[C@@H]1CCC[C@]2(C)C1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 66259085 WJINZNWBMZDWPK-XDBTUQKASA-N 330.468 4.450 0 1 EIAF Cc1ccc(-c2coc(NC(=O)c3n[nH]cc3-c3ccccc3)n2)cc1 95562775 ATHLNBFVAIYMTI-UHFFFAOYSA-N 344.374 4.292 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299805824 NNSRXNWUJQJDLG-RNLYCJFCSA-N 347.543 4.094 0 1 EIAF C[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1 299837282 OHFXMZSELAZKMD-BRWVUGGUSA-N 339.520 4.419 0 1 EIAF OCCCCCCCCCCCc1nc2ccc(CCO)cc2[nH]1 586894496 IKYCSCZBOSVVHZ-UHFFFAOYSA-N 332.488 4.143 0 1 EIAF O=C1c2ccccc2-c2cc([C@H]3CCCOC3)nc3ccc(O)c1c23 586992252 SQDBOEJTMMWKJL-LBPRGKRZSA-N 331.371 4.046 0 1 EIAF CCc1ccc(-c2nc(-c3nc4ccc(C(=N)N)cc4[nH]3)cs2)cc1 587015663 GUFZJDJBYOAUPJ-UHFFFAOYSA-N 347.447 4.200 0 1 EIAF Clc1ccc(-c2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)nn1 587085633 XXAWLYCEFIOCGT-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2cc(F)cc(Br)c2[nH]1 587134320 MUFQDSTZVPOUOE-UHFFFAOYSA-N 343.102 4.115 0 1 EIAF CC(C)(C)OC(=O)N1CCCc2c(nc3cccc4c3c2CC4)CC1 587212343 NQVBLPJBYASZBW-UHFFFAOYSA-N 338.451 4.059 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2c(N)cccc21 587388834 HDSIVTXYSJWULC-QFIPXVFZSA-N 342.398 4.049 0 1 EIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)C 587399940 NRWZGXOTANVSSE-LJQANCHMSA-N 325.408 4.416 0 1 EIAF COc1ccc2c(c1)[C@@H](C)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587403731 QELITGMIUGRDPZ-LRTDBIEQSA-N 337.419 4.040 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C3CCCC3)s1)O2 587413461 OIHOWRHDMCYFMS-HNNXBMFYSA-N 328.437 4.398 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)ccc1O)[C@@H](C2)C3=O 587448851 HBRPGQGMBBEJIC-MGPUTAFESA-N 338.403 4.187 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](CC)C(=O)OC)CC2=O 587483403 WRUHPTOQMRJBCW-YWZLYKJASA-N 348.439 4.048 0 1 EIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N 587508939 GVSWZNQZDAXEIN-NRFANRHFSA-N 337.419 4.037 0 1 EIAF CC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587702641 FDOJJAFDRXNZKT-JVXZTZIISA-N 340.158 4.290 0 1 EIAF Cc1cc2[nH]c(C(=O)CCc3ccccc3)nc2cc1Br 587953661 PFZSUQGYSRQPMS-UHFFFAOYSA-N 343.224 4.449 0 1 EIAF CC[C@]1(Cc2nc3ccnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587959107 COIZSJXQVPKGPG-LJQANCHMSA-N 339.826 4.379 0 1 EIAF CN1CCc2cnn(C)c2[C@@H]1c1ccc(-c2ccccc2Cl)s1 963953690 CIYIRWISRYHBMJ-SFHVURJKSA-N 343.883 4.379 0 1 EIAF COc1ccc(-c2cc(Cl)cc(Nc3cc(C)nc(N)n3)c2)cc1 1772645824 PCQCPJPTRYHGTC-UHFFFAOYSA-N 340.814 4.440 0 1 EIAF COc1ccc(Nc2nc(-c3cccnc3)nc3ccc(N)cc23)cc1 1857758733 VJXRXEUDXDEWOK-UHFFFAOYSA-N 343.390 4.026 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@]13COC(=O)[C@H]1CCC[C@H]32 2356374646 AYCMMSGIYHDUSS-OWNFYUOCSA-N 330.424 4.117 0 1 EIAF O=C(Nc1cc(F)ccc1C(=O)O)c1ccc(-c2ccccc2)cc1 13303474 PGISTUQBPYXJQD-UHFFFAOYSA-N 335.334 4.443 0 1 EIAF Oc1cc([C@H](O)[C@H]2O[C@@H]2c2ccccc2)ccc1Oc1ccccc1 14683226 CCLMXUULUZEKRQ-PWRODBHTSA-N 334.371 4.358 0 1 EIAF biogenic COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccsc3)c2)C[C@@H]2CC[C@H]1N2C 26262757 OECDZVROWVHNGS-WJFTUGDTSA-N 341.476 4.154 0 1 EIAF c1ccc2c(c1)C[C@H](SCCN1CCOCC1)c1ccccc1O2 27549722 OOMGATXCWPOEHV-FQEVSTJZSA-N 341.476 4.142 0 1 EIAF Cc1c(CC(=O)O)c2cccnc2n1[C@H](C)c1ccc(Cl)cc1 35978645 QDVYIXTZVQGJNS-LLVKDONJSA-N 328.799 4.235 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 39944337 NCMZQTLCXHGLOK-ZOCXKQACSA-N 330.468 4.450 0 1 EIAF CC[C@@]1(C(=O)NCCc2cccc(Cl)c2)[C@H](C)C1(Cl)Cl 103272513 MZXCPEUWSOWNLM-HZMBPMFUSA-N 334.674 4.219 0 1 EIAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@@H](C)CF)sc1C(=O)O 145116667 VLBPIULFSBHWDL-VIFPVBQESA-N 343.383 4.174 0 1 EIAF Cc1c(-c2nc3cc(Cl)cnc3[nH]2)cnn1-c1ccc(Cl)cc1 587076568 WQYOJBZAEYUYPV-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Clc1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cn1 587085692 BFBFPGOCKOAYHT-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF N[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F 587158302 WIUXPAJZQJGFBY-ABKXIKBNSA-N 336.197 4.350 0 1 EIAF C[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343146 AGBLAMWVLBJWSV-QUCCMNQESA-N 337.350 4.134 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C=CC[C@H]32)[C@H]1c1ccc(F)cc1 587353358 OWPIZFGWNDGDTL-MCQDVZFUSA-N 336.362 4.225 0 1 EIAF CC(=O)n1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587388959 CLLGFBSAEYJAPH-OAQYLSRUSA-N 348.402 4.073 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)=O)cc1)CC2=O 587490808 VAVKIIBOLDWTQR-NRFANRHFSA-N 338.403 4.428 0 1 EIAF C[C@]1(c2cc(Cl)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587498784 GWIVUVFDHFRUSC-LJQANCHMSA-N 327.811 4.494 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3c(=O)oc(=O)c4ccccc43)c2c1 587644170 ORTYUZWFFWZJIW-GFCCVEGCSA-N 348.402 4.247 0 1 EIAF Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@H]32)c1 653869234 IAICKVWVHDWAKX-ONTIZHBOSA-N 342.398 4.191 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)cc(C(=O)O)c2)N1 962951938 JKUIIPMCTOLRCT-KBXCAEBGSA-N 338.382 4.019 0 1 EIAF Nc1c2c(cc3c1CC[C@]31c3c(F)cccc3C[C@@H]3CCCN31)CCC2 963100577 BQXUGXBSHNANJS-QMHKHESXSA-N 348.465 4.107 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc2cccc(C)c2[nH]1 963635367 LZPAXSAABUWVEO-LRTDBIEQSA-N 336.435 4.117 0 1 EIAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)O[C@@H](C1CCCCC1)C2 95569403 REXXWSMHQUYRAQ-NVXWUHKLSA-N 342.464 4.043 0 3 EIAF O=C1SC(SCc2ccccc2)=N[C@]12C[C@H]2c1ccccc1 1658326 LIJGKDZNDFHBDY-YJBOKZPZSA-N 325.458 4.476 0 1 EIAF CCc1c(C)[nH]c(=O)c(N2CCCCC2)c1Cc1cc(C)cc(C)c1 5886215 ZIBGWUFZCISYDF-UHFFFAOYSA-N 338.495 4.444 0 1 EIAF CC(C)=CCN1CCn2c(=O)[nH]c3cc(Cl)cc(c32)[C@@H]1CC(C)C 5962856 CYWGDPFEADYKBO-KRWDZBQOSA-N 347.890 4.352 0 1 EIAF CC[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 13488792 ILPYDESJPQRILS-PXNSSMCTSA-N 342.870 4.466 0 1 EIAF CCO[C@H]1C[C@@H](c2ccccc2)Oc2c(C)c(O)c(C=O)c(OC)c21 15217548 HCPPRMOLMNXCDR-HOTGVXAUSA-N 342.391 4.123 0 1 EIAF biogenic C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@H]1C[C@H]2CC[C@@H]1C2 27213661 JJDFSKYVEMOTAE-PRHYDEJPSA-N 329.532 4.137 0 1 EIAF COc1ccccc1Cn1c2c(c3cccc(C(=O)O)c31)CCCC2 38421694 PRLDJZZDMORTAQ-UHFFFAOYSA-N 335.403 4.275 0 1 EIAF Clc1cc(Cl)cc(CNc2cc(Cl)nc3ccnn23)c1 40401259 LPZCDXFSIHPJEF-UHFFFAOYSA-N 327.602 4.302 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42O3 40471896 JTVHQWNUCRXUJU-CWLROJRBSA-N 336.472 4.414 0 1 EIAF c1ccc(-c2nnc3sc(-c4nccc5ccccc45)nn23)cc1 49114224 RBZNOUZYQZCLGH-UHFFFAOYSA-N 329.388 4.068 0 1 EIAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1 66258336 NGIUAGMCGCGBQN-HNNXBMFYSA-N 342.439 4.118 0 1 EIAF O=C(NCc1ccccc1)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 102155844 SLYIFTMFXFYPBW-QEFXCSQDSA-N 348.284 4.037 0 1 EIAF COc1cc(/C=C/C(=O)Oc2ccc(C)cc2C(C)C)ccc1O 103276686 LAKIWVOGSSMIMH-JXMROGBWSA-N 326.392 4.451 0 1 EIAF CC[C@@H](C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C 137712229 JMRFSMRCASRCOV-BCMYSLSTSA-N 334.456 4.199 0 1 EIAF Cc1cc(CCc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1 169346023 JVHCOXZSOBBQOW-UHFFFAOYSA-N 342.446 4.460 0 1 EIAF O=Nc1c([C@@H]2C(=O)Nc3ccc(Cl)cc32)[nH]c2ccc(O)cc12 169723355 ALCPERSBUYTUCA-CYBMUJFWSA-N 327.727 4.009 0 1 EIAF Cc1cc(NCCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 473154563 IOEIZRPPEILHOM-UHFFFAOYSA-N 343.434 4.063 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1 586880872 UADCIJAMBDWDCP-YVMONPNESA-N 332.281 4.450 0 1 EIAF Clc1cncc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021371 JTNKPSPIWMMPJY-UHFFFAOYSA-N 326.812 4.326 0 1 EIAF C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)s1 587022586 RDZMIYYMFWFAGA-YFKPBYRVSA-N 347.749 4.412 0 1 EIAF N[C@@H](c1ccsc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587026040 TZKKEUUNBLPCGE-JTQLQIEISA-N 342.649 4.088 0 1 EIAF Clc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587039767 FQZZLAWGFLVAQG-HUUCEWRRSA-N 329.856 4.163 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 587250245 YXGNGJVPKNXACS-UHFFFAOYSA-N 341.374 4.061 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(F)cc4)cc3)nc2n1 587369437 HWNKSIBBLSQRAW-UHFFFAOYSA-N 349.321 4.034 0 1 EIAF CC[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383805 VOFRHDORIPJBDW-LJQANCHMSA-N 347.361 4.449 0 1 EIAF COc1ccc2c(c1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587527570 WYHISFUSXVPIHC-JOCHJYFZSA-N 334.415 4.077 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@H]2CC[C@H]1C2 587602460 HZEUXNUHZJTXFZ-JVGMFWIHSA-N 336.387 4.159 0 1 EIAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587607020 GPIQCBFNSOYSJJ-LAUBAEHRSA-N 348.354 4.109 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 587615257 FZZWVKUOZVVDDA-PXNSSMCTSA-N 336.343 4.305 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(-n3cc(C(=O)O)nn3)c2c1 587642729 OJTCQZWJIBVFAO-NSHDSACASA-N 340.427 4.258 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccncc3)c(C(=O)C(=O)OC)c2c1 587644279 SOKVYOGJHHGJMI-GFCCVEGCSA-N 336.391 4.099 0 1 EIAF CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649315 HEJIAJJOTULFAP-UHFFFAOYSA-N 331.412 4.330 0 1 EIAF CNc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743370 OKHNNRGSWNJSNA-BMLIUANNSA-N 349.247 4.254 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cncc(Br)c3[nH]2)c1 587930992 LNHZZCYCCSZOKK-JTQLQIEISA-N 346.228 4.075 0 1 EIAF CN1CCC(NC2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 618010553 ZUYYLJAQXGWYLV-UHFFFAOYSA-N 349.522 4.006 0 1 EIAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1 653711359 CLNVSEUDXHVTTH-OAQYLSRUSA-N 341.414 4.069 0 1 EIAF CCCNC(=O)c1c(C)oc2ncnc(Nc3cccc(Cl)c3)c12 1857769745 WNBJXVKNFQOYBX-UHFFFAOYSA-N 344.802 4.068 0 1 EIAF COc1ccc([C@@H]2c3c(ccc4c3OCO4)C[C@H](C)[C@@H]2C)cc1OC 2356496757 ZJRZMBOBSXVTJW-WTOJCKNJSA-N 340.419 4.393 0 1 EIAF CC(C)=CCCC(=CCCC(=CCCC(C)=CCO)CO)C(=O)O 2356551273 XVPUGZPKHJALRX-UHFFFAOYSA-N 336.472 4.162 0 1 EIAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CN1CC1 2356637608 YAZNTOPQJPATQT-QAHMESRPSA-N 331.544 4.466 0 1 EIAF CC(C)=CCCC(C)=CCc1cc2cc(C(=O)O)c(=O)oc2cc1O 2356752366 JPQHWNCBIJRECM-UHFFFAOYSA-N 342.391 4.432 0 1 EIAF CCC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 486031 OPDBPJWZYLLHKS-IQOYVBNASA-N 344.451 4.141 0 1 EIAF CCOC(=O)C(C(=O)OCC)=C1C=C(c2ccccc2)c2ccccc21 1618616 LGKIQRFAWFVVKY-UHFFFAOYSA-N 348.398 4.012 0 1 EIAF FC(F)(F)c1ccccc1-c1cccc2c1N1CCNCC[C@@H]1C2 13535466 TVGKTMDQLDJGTD-CQSZACIVSA-N 332.369 4.097 0 1 EIAF CCCCC(=O)NC[C@H]1CCCCc2c1c1cc(OC)ccc1n2C 13777917 CKNPLEYWRLVUOM-OAHLLOKOSA-N 342.483 4.303 0 1 EIAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCCc2ccc(C)cc2)C1 13782813 JRXSQQHZULYLDJ-QFIPXVFZSA-N 349.474 4.116 0 1 EIAF CC(C)=CCN1CCn2c(S)nc3cc(Cl)c4c(c32)[C@@H]1CC4 27870845 IDVVAKCLRRWZNG-AWEZNQCLSA-N 333.888 4.248 0 1 EIAF CC(C)=CCOc1cc2oc(C)cc(=O)c2c(O)c1OCC=C(C)C 66074048 RDNWTIGPUQYVIH-UHFFFAOYSA-N 344.407 4.497 0 1 EIAF CCCCNC(=O)c1cc(Sc2ccc(C(C)C)cc2)c[nH]c1=O 95596511 XWWLAIWNGYBKGZ-UHFFFAOYSA-N 344.480 4.179 0 1 EIAF CN1[C@H]2CC[C@H]1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 100897406 PWSUMDGDQAYHSM-SFTDATJTSA-N 348.490 4.155 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@@]13COC(=O)[C@H]1CCC[C@H]32 103289276 AYCMMSGIYHDUSS-NGIYPOHESA-N 330.424 4.117 0 1 EIAF CCC/C=C\COC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253667968 VYMTVUHJJJHELN-JSLGZMTKSA-N 336.472 4.354 0 1 EIAF Cc1nccc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc12 587049152 PFOABGIHURWRAI-UHFFFAOYSA-N 328.803 4.181 0 1 EIAF COc1cc(Cl)ccc1-c1nc2c(Br)ccnc2[nH]1 587067040 YWSXZMBZCBETMY-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Cc1cc2[nH]c(-c3cc(F)c(C)cc3Br)nc2c(C)n1 587138140 XGJHQLCVEDPTGF-UHFFFAOYSA-N 334.192 4.452 0 1 EIAF CC(=O)N[C@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(C)cc1 587207381 SCBSEDRTPONKKU-QGZVFWFLSA-N 341.842 4.253 0 1 EIAF Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)OCO5)CCCC2)cc1 587237538 SKANLRBWBJVCOS-UHFFFAOYSA-N 335.407 4.481 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4cccc(F)c4CC[C@H]1C)[C@@H](C2)C3=O 587429620 VVXQCSLTKLPAJP-BSPLBBPOSA-N 338.378 4.060 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(CC(C)C)c1C)[C@@H](C2)C3=O 587430527 ILGRHVAMKHOWCI-LAUBAEHRSA-N 339.435 4.258 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(Cl)cc1F)CC2=O 587465817 HAXXNPSIJCTXQP-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF O=C1C[C@@](c2ccccc2)(c2ncco2)Oc2c1ccc1c2CCCC1 587516091 URTMNZHREARBAU-JOCHJYFZSA-N 345.398 4.462 0 1 EIAF COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600269 NNEBGEGTHOIINL-NQIIRXRSSA-N 348.354 4.104 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(Cc3ccccc3C2)N1 587817960 NVYWSTGPRXFBFL-NSHDSACASA-N 346.243 4.117 0 1 EIAF COc1cncc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955826 QHXHDZQTGYMQOL-QGZVFWFLSA-N 329.403 4.341 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1c(Cl)cccc1-n1cccn1)NCC2 962374641 LXFDHYSSIWIDNS-IBGZPJMESA-N 341.817 4.208 0 1 EIAF Cc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1 1857553427 WMJNCYWJEPGMOC-GCJKJVERSA-N 327.474 4.490 0 1 EIAF CC=CC(=S)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356397683 HHPQBRSGRYPIDJ-PNHMNYGYSA-N 334.481 4.363 0 1 EIAF Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1 17394 ZSNZPFYMIVNIMW-UHFFFAOYSA-N 328.375 4.065 0 1 EIAF Oc1c2cnc3ccc(Br)cc3c2nn1-c1ccccc1 17712 COLFYBOAYSPFEQ-UHFFFAOYSA-N 340.180 4.042 0 1 EIAF CC(C)=CCO[C@]1(C(F)(F)F)OC(=O)Nc2ccc(F)c(F)c21 5854266 PPGRXNRTCAGUJG-ZDUSSCGKSA-N 337.244 4.225 0 1 EIAF Cc1nc2ccc(N3C(=O)CS[C@H]3c3c[nH]c4ccccc34)cc2[nH]1 28652026 LPWPNHIFDAWDEW-IBGZPJMESA-N 348.431 4.131 0 1 EIAF Cc1cccc2c1C(=O)N(c1cc(-c3ccccc3)ccc1O)C2=O 39047310 ROMNEYAQUBNRLR-UHFFFAOYSA-N 329.355 4.168 0 1 EIAF in-vivo O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1 49050336 XTKWYENKGIRGAI-UHFFFAOYSA-N 333.366 4.298 0 1 EIAF CCn1ncnc1[C@@H](C)Nc1cc(C)c2ccc(SC)cc2n1 65373168 AVWRQKIZOPZQNK-GFCCVEGCSA-N 327.457 4.050 0 1 EIAF COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n12 72315641 JGRMMBRYUDVUAI-UHFFFAOYSA-N 336.370 4.017 0 1 EIAF in-vitro CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(C)ccc1C 103901453 DXBQKAZPMWHYQK-MRXNPFEDSA-N 340.452 4.036 0 1 EIAF CC[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccccc1 142141024 LYZCOOMXZQTHIB-HZPDHXFCSA-N 340.427 4.021 0 1 EIAF CCCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321780 ZLESHSQKBOXXKI-YPAWHYETSA-N 343.511 4.456 0 1 EIAF C[C@@H]1CCC[C@H](/C=C/[C@H]2[C@H]3[C@H](C[C@H]4CCCC[C@@H]24)C(=O)O[C@@H]3C)N1 238760749 GEQKTSPOTKEYOG-NEZSKLKVSA-N 331.500 4.077 0 1 EIAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CO 238771387 SKZKDRKVEQOQIT-ILWGZMRPSA-N 344.495 4.487 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586964294 XEVSWECSDKLUNU-ZDUSSCGKSA-N 339.464 4.259 0 1 EIAF CC(C)COCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990196 WEVNCXHVBWHASL-UHFFFAOYSA-N 347.414 4.367 0 1 EIAF Clc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1 587005216 CQALRXMNFJRPQH-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cc1nccc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587017884 SAPCELRYEHLMLP-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF Cc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2n1 587020228 IVMXDPISPLEFMH-UHFFFAOYSA-N 336.420 4.277 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3cc(F)c(F)cc3[nH]2)c(N)cc1F 587135827 FKNAGIHCKNDTAU-UHFFFAOYSA-N 335.329 4.407 0 1 EIAF COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Cl 587177610 QFINQSFHYGEUBF-UHFFFAOYSA-N 346.793 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3ccccc3c1Cl)O2 587378268 AYKAGWRLBFZKLP-OAHLLOKOSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)s1)O2 587382523 MLUVXMGYWRYCPD-NSHDSACASA-N 327.327 4.364 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(F)c1)CC2=O 587467426 RXCXQDKHIWLWCS-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)ccc1F)CC2=O 587468507 VRPODESUPNCOEW-AWEZNQCLSA-N 335.762 4.239 0 1 EIAF Oc1nccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784102 LEKXVIIPLYKEEQ-FLIBITNWSA-N 343.386 4.413 0 1 EIAF Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@H]32)cc1 653862717 GSQQJUAMMIUYRX-JAXLGGSGSA-N 342.398 4.191 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCC[C@@H](c3nccn3C)C2)N1 962958582 UTRIJBPJZZSODT-MCFFVMPBSA-N 348.494 4.379 0 1 EIAF O=C(CCC1CCCCC1)Nc1ncc(Cc2ccccn2)s1 1857757314 FATHCVKRQAJKCT-UHFFFAOYSA-N 329.469 4.428 0 1 EIAF C[C@@]1(c2nnc(-c3ccccc3)o2)CC(c2ccc(Cl)cc2)=NO1 13657570 KKXDPHSOZDQZLQ-SFHVURJKSA-N 339.782 4.430 0 3 EIAF C[C@H]1C[C@@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 36381947 UIVXVKDVVGELNW-PDSXEYIOSA-N 339.410 4.403 0 3 EIAF O=C1C(Nc2ccccc2)=C[C@H](c2cccnc2)N1c1ccccc1 211058158 ANEWOUNWFQEZHU-HXUWFJFHSA-N 327.387 4.166 0 3 EIAF CCc1c(C)[nH]c(=O)c(N(CC)CC)c1Cc1cc(C)cc(C)c1 5886206 PPVANHMVSXBKKT-UHFFFAOYSA-N 326.484 4.300 0 1 EIAF CC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@H]1C2 27422804 WCMXBAGNWHQRAC-OGVRUUEMSA-N 342.479 4.410 0 1 EIAF CCCCCCOCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712028 XMBHPHYTFZFYFH-UHFFFAOYSA-N 336.520 4.241 0 1 EIAF in-vivo Cc1cc(C)nc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)c1 28713283 QNTZQCFJFOJNPB-BTCBHJBXSA-N 342.508 4.321 0 1 EIAF CC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2c(F)ccc(F)c2c1=O 40423711 SQWZMEYHEZXKSQ-UHFFFAOYSA-N 348.736 4.406 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1c(F)cccc1F 72103428 QNBJIASHZPZHJE-GOSISDBHSA-N 331.749 4.297 0 1 EIAF C[C@H]1[C@@H]2C[C@H](C[C@H]1NCc1coc(-c3ccc(O)cc3)n1)C2(C)C 72184799 XTODPSLMGDNQAE-BAGBSZHRSA-N 326.440 4.208 0 1 EIAF O=C(N/N=C/c1cc(Cl)c2ncccc2c1)[C@@H]1C[C@H]1c1ccccc1 115598237 AEEZPLOFQLTNDU-CKGAZFRFSA-N 349.821 4.142 0 1 EIAF COc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 206375796 KAENFKKOUQCPPE-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cnncc4[nH]3)c2)c1 587049186 IFXYPOICDCHOGK-UHFFFAOYSA-N 334.766 4.153 0 1 EIAF CCc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098789 UMSIHGZSSUWZNG-UHFFFAOYSA-N 345.398 4.033 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)CC(C)(C)CC3)O2 587412396 BRXSFOVPUWFOBC-HNNXBMFYSA-N 342.464 4.255 0 1 EIAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2Cn2ccnc2)cc1 587638147 LNEVPKZNPGMQKN-UHFFFAOYSA-N 331.375 4.086 0 1 EIAF CN(C(=O)c1ccc(Cl)cc1)[C@@H](CN1CCCC1)c1ccccc1 621431550 NVFVRNXZRBIGBT-IBGZPJMESA-N 342.870 4.249 0 1 EIAF Cc1cc(Oc2nccc(O)c2C)ccc1-c1c(C)ncc2nccn12 1857610690 CDRAROGYUHBHLP-UHFFFAOYSA-N 346.390 4.214 0 1 EIAF CCCCCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356549223 VNYSSYRCGWBHLG-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)[C@H](O)C[C@@H](O)C(C)C 2356731872 JMZZBVNSDNHLIV-IJXRJRJASA-N 328.537 4.306 0 1 EIAF C[C@H](Cc1ccsc1)NCc1c[nH]nc1-c1ccc(F)cc1F 15961873 HKNRDWJKYQBZDD-LLVKDONJSA-N 333.407 4.137 0 3 EIAF O=C(Nc1cccc(Cl)c1)OCc1ccc(Cc2c[nH]cn2)cc1 4821685 YABXQAMWKNVGPZ-UHFFFAOYSA-N 341.798 4.403 0 1 EIAF Fc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1 13743203 TVVHQOATDRWAMV-UHFFFAOYSA-N 330.366 4.443 0 1 EIAF O=P(O)(O)[C@H](Cc1ccccc1)c1cccc(C(F)(F)F)c1 26845155 SAHLSPFOTOALLV-CQSZACIVSA-N 330.242 4.167 0 1 EIAF CCCCc1ccc(/C=C2\CN3[C@H]4CC[C@@H]3[C@H](C(=O)OC)[C@@H]2C4)s1 36271063 YQQAIKWUGKLZAA-AONYSTFBSA-N 345.508 4.130 0 1 EIAF Cc1cc(CC(=O)Nc2cc(C3CC3)[nH]n2)ccc1-c1ccccc1 40951494 WRSFTFVJTOOSMY-UHFFFAOYSA-N 331.419 4.444 0 1 EIAF CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 45495615 YDRPDRAEFURBJV-GOSISDBHSA-N 342.826 4.436 0 1 EIAF CCCCCCC(=O)N[C@@H](c1cccc2ccccc12)P(=O)(O)O 71334506 SUUYUYRUIANEGM-GOSISDBHSA-N 349.367 4.103 0 1 EIAF Cc1ccccc1-c1nc(CN[C@H]2CCN(Cc3ccccc3)C2)co1 72183894 LIEMJOWJMBBRKE-IBGZPJMESA-N 347.462 4.014 0 1 EIAF O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1C/C=C/c1ccccc1 169332101 MZTTZFUDQRNUTQ-UCWDFHMRSA-N 337.400 4.142 0 1 EIAF O=C1OCC(c2ccc(OC(F)(F)F)cc2)=C1c1cccc(F)c1 299818505 AIQYTCNPUSPEIH-UHFFFAOYSA-N 338.256 4.192 0 1 EIAF Cc1cc(Br)cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586902759 MJQSAYJPHYCVCB-ZFWWWQNUSA-N 343.224 4.203 0 1 EIAF CCCC(Br)(CCC)c1nc2ccnc(OC)c2[nH]1 586970829 JUZHORWSXHVKMU-UHFFFAOYSA-N 326.238 4.157 0 1 EIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(Cl)ncc2[nH]1 587066992 XUZWRXOXAADLPW-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Cc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587123997 KDFUDXBQRXDXJL-CABZTGNLSA-N 335.333 4.042 0 1 EIAF Fc1cc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1-n1cccn1 587130654 NJSZGTLQCLSONA-UHFFFAOYSA-N 344.296 4.156 0 1 EIAF C[C@@]1(c2nc3ccc4ncccc4c3[nH]2)C=C(c2ccccc2F)NO1 587156493 ODLAZLTXTOSNIK-FQEVSTJZSA-N 346.365 4.041 0 1 EIAF Fc1ncc(Br)cc1-c1nc2ccc(Cl)cc2[nH]1 587178027 MHAIWTIUDADYNF-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 587241833 LBDYOMHJVJVDFE-UHFFFAOYSA-N 343.818 4.048 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1Br)O2 587378625 WIUWJJBXEISHLH-QGZVFWFLSA-N 346.224 4.220 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(CCc1c(F)cccc1F)[C@@H](C2)C3=O 587422885 GLENWUSTDHKNTR-VBKZILBWSA-N 344.357 4.112 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccnc1-c1ccsc1)[C@@H](C2)C3=O 587450635 GWKYQLDFULOTJX-MGPUTAFESA-N 349.411 4.307 0 1 EIAF O=C1C[C@H](Cc2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587508456 VQQYHGTUQZIBHU-HNNXBMFYSA-N 328.358 4.420 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1F 587568127 LCIWZHSJDWXKER-PBHICJAKSA-N 342.347 4.296 0 1 EIAF COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c1C 587788344 YMUXJCLEYNVFQI-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587823997 SVPVXXCGLDKCGZ-IOXKSUMSSA-N 336.248 4.376 0 1 EIAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)nc(-c2ccccn2)n1 587875905 VDTHFKXMTBLKDP-UHFFFAOYSA-N 345.337 3.945 0 1 EIAF Nc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1N 587955769 NTBBRPRZFDSNKV-INIZCTEOSA-N 328.419 4.102 0 1 EIAF COC(=O)c1ccnc2[nH]c(Cc3ccccc3-c3ccccc3)nc12 587960230 ZHKKRPGCSLSWES-UHFFFAOYSA-N 343.386 4.002 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cc(Cl)co1 962400242 TVJRSOKEWCXFNC-KRWDZBQOSA-N 332.856 4.481 0 1 EIAF CCCCCn1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)n1 963094615 CJGDQBPPSXACMP-OXQOHEQNSA-N 327.447 4.322 0 1 EIAF Cc1nn(-c2ccccn2)c2cc(-c3cccc(CC(=O)O)c3)ccc12 1772601233 MSGBMLSJBAWNNR-UHFFFAOYSA-N 343.386 4.023 0 1 EIAF COc1cccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c1 1857754676 DORHGFUGAQVEJY-UHFFFAOYSA-N 338.403 4.313 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@H]3CC[C@]12O 2356404933 BDKARMILWOSVNF-CEIVAIHVSA-N 346.467 4.209 0 1 EIAF CCCCC[C@H](O)C=CC1=CCC(=O)[C@H]1CC=CCCCC(=O)O 2356655251 CMBOTAQMTNMTBD-ROUUACIJSA-N 334.456 4.200 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@H](N)[C@@H](Cc1ccc(O)cc1)NC 2356718851 IBEFHERIICGKCU-KJNZLNQQSA-N 332.532 4.259 0 1 EIAF COc1cccc([C@@](C)(O)c2nc(-c3ccccc3C)cs2)c1 61904413 PQXAWSDMCBKPPR-LJQANCHMSA-N 325.433 4.383 0 3 EIAF O=C1COCc2ccc(-c3cc4ccccc4o3)cc2N1CC1CC1 74375870 KMMDUURUGZTBGS-UHFFFAOYSA-N 333.387 4.373 0 3 EIAF Cc1oc(-c2ccoc2)nc1CN1CCC[C@H](C(=O)CC(C)C)C1 11813754 AYURIVFOUAZHDN-HNNXBMFYSA-N 330.428 4.070 0 1 EIAF COc1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1OC 14964252 UTUOVFSYLPFVFY-UHFFFAOYSA-N 348.472 4.238 0 1 EIAF Cn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21 29124644 BRDWZFWBRYJXAD-UHFFFAOYSA-N 348.837 4.414 0 1 EIAF O=C1CCSCN1CCCCNc1ccnc2cc(Cl)ccc12 35091147 JSGDVQUNWUNKPI-UHFFFAOYSA-N 349.887 4.003 0 1 EIAF Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl 49035872 CWSRXZGMHUIVTH-UHFFFAOYSA-N 342.870 4.045 0 1 EIAF O=C(O)C[C@@H](Cc1nc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1 72116255 XNAHGULMSKVKPJ-LLVKDONJSA-N 332.762 4.156 0 1 EIAF O=C1[C@H]([C@@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 103271881 HXWLZAJEWVRWDC-VXKWHMMOSA-N 345.442 4.312 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586895135 QKKQGXXBCIOFAL-UHFFFAOYSA-N 340.386 4.266 0 1 EIAF Cc1cc(F)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 586983794 IZWVTTMACARFOA-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF Clc1ccc(C2=C[C@@H](c3nc4cnc5ccccc5c4[nH]3)ON2)cc1 587077220 RXTCPXNNIFOWMT-KRWDZBQOSA-N 348.793 4.382 0 1 EIAF FC(Br)(Br)c1nc2cccc(Cl)c2[nH]1 587088065 INRUWRYHPUOVFP-UHFFFAOYSA-N 342.393 4.086 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c[nH]c3ccccc13)O2 587396001 ICEWFMIQHVQEDD-NRFANRHFSA-N 334.419 4.415 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587421376 LIGMAQIXXKGVBT-DYZYQPBXSA-N 335.186 4.491 0 1 EIAF CCSc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451052 IUKLIVXWEOHAMT-QRWLVFNGSA-N 340.444 4.470 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C)cc31)CC2=O 587478579 HVCVUBAMFCTZMH-HXUWFJFHSA-N 326.392 4.443 0 1 EIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587509087 WYDOGEOPRMZTFQ-SFHVURJKSA-N 326.367 4.420 0 1 EIAF C[C@H](O)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529803 DSMWYSBDZRZOSP-QKKBWIMNSA-N 336.431 4.195 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)NCCc1ccccc1 587631145 HULFADLOJHKQFM-UHFFFAOYSA-N 330.790 4.241 0 1 EIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(=N)N)cc2[nH]1 587951084 IXWURSGCPHIURF-LBPRGKRZSA-N 330.391 4.140 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587956380 ZCLWVGBDKHARLB-UHFFFAOYSA-N 332.347 4.218 0 1 EIAF CCCC[C@]1([C@@H](C)C(=O)OC)c2ccc(F)cc2C[C@H]2CCCN21 963091753 ACNHKJZYMXNDAE-NQYLQCIDSA-N 333.447 4.041 0 1 EIAF CC(C)(C)c1ccc(C(=O)NC(=O)N2CCCc3ccccc32)cc1 1857579253 GDVBJOIZLSFPKV-UHFFFAOYSA-N 336.435 4.287 0 1 EIAF CO[C@H]1CCCc2[nH]c(=Nc3cccc(C(F)(F)F)c3)sc21 1857769590 SHFYRGHBWCWPCC-LBPRGKRZSA-N 328.359 4.351 0 1 EIAF CC(=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)CO 2356753898 NXCRMGUYKIJISM-LZWOXQAQSA-N 332.440 4.426 0 1 EIAF Fc1c(F)c(F)c(NN/C=C2\C=Nc3ccccc32)c(F)c1F 13125154 IJPUEVKQSCVJRM-VOTSOKGWSA-N 325.240 4.056 0 3 EIAF C[C@]1(Cc2cccc(F)c2)C(=O)Nc2ccc(OC(F)(F)F)cc21 61906229 RXZBQXCNNXMFCW-MRXNPFEDSA-N 339.288 4.177 0 3 EIAF O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCCC1 6748741 SZVNAEFAYYKWQG-UHFFFAOYSA-N 347.443 4.452 0 1 EIAF O=C(O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc21 11536235 NMHZWOGDGMEOEJ-UHFFFAOYSA-N 340.379 4.066 0 1 EIAF CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1 28469608 XIRXPGXOBQGWNW-UHFFFAOYSA-N 336.414 4.087 0 1 EIAF CN(c1ccc(Cl)cc1)c1ccc(C(=O)N2CCCCC2)cn1 45340222 HTAYZRRTDBVFOA-UHFFFAOYSA-N 329.831 4.129 0 1 EIAF CCCCc1ccc(-c2nc(CNCC(C)(C)CN(C)C)co2)cc1 72101049 PSWJBLXRHUNOLD-UHFFFAOYSA-N 343.515 4.362 0 1 EIAF Oc1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72113649 VPYNHRKLYQWUEA-HXUWFJFHSA-N 331.419 4.191 0 1 EIAF O=C(c1cccc(O)c1)c1cccc(-c2ccc(O)c(Cl)c2)n1 73197386 FQCJYUZSELHBFT-UHFFFAOYSA-N 325.751 4.044 0 1 EIAF Fc1ccc(F)c(-c2cc(NCc3ccc(F)c(F)c3)ncn2)c1 82161071 BAWQOZRNXOZNFO-UHFFFAOYSA-N 333.288 4.312 0 1 EIAF COc1cccc(-c2nccc(NCc3ccc(Cl)cc3)n2)c1 96271413 KUJKXFLOPNXLFC-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF CC[C@H](C)[C@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O 101199864 IIZDOXATMSSHGP-JOYOIKCWSA-N 345.386 4.253 0 1 EIAF O=S(=O)(/C=C/c1ccccc1C(F)(F)F)c1ccc(F)cc1 103248115 PFOSQAFYCUWZRY-MDZDMXLPSA-N 330.302 4.289 0 1 EIAF O=C(Nc1ccc(CC[C@H]2CCCCN2)cc1)c1ccc(Cl)cn1 117736681 QGLMYIVKQBMWLF-MRXNPFEDSA-N 343.858 4.062 0 1 EIAF O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 144832348 SCGRQXBWVAHRMZ-INIZCTEOSA-N 328.437 4.058 0 1 EIAF Cc1nnc(-c2ccc3[nH]cc(-c4cccc(OC(C)C)n4)c3c2)o1 204775122 RLFQVKISFLTJNU-UHFFFAOYSA-N 334.379 4.376 0 1 EIAF N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1Cl 587058387 FTRKTPLTAUEVCH-INIZCTEOSA-N 325.843 4.338 0 1 EIAF Cc1ccc2c3c(cc(-c4nccn4C)nc13)-c1ccccc1C2=O 587098302 PYEMOZISXNNCOG-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@H]1CC(=O)[C@@H]4C1)-c1ccccc1C2=O 587100327 GLSXJEOGUJGBKV-ABAIWWIYSA-N 325.367 4.298 0 1 EIAF Cc1nc(N(C)C)ncc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587195591 XQKHZIHOLVABMW-UHFFFAOYSA-N 345.406 4.187 0 1 EIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(F)c2[nH]1)C1CCCC1 587226885 VRPGUCVKDJXZMO-CQSZACIVSA-N 333.407 4.458 0 1 EIAF Cn1nc(C(F)(F)F)c(Cl)c1C(=O)c1coc2ccccc12 587281117 WRVCWIYKOVGCMH-UHFFFAOYSA-N 328.677 4.070 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1CCCCF)[C@@H](C2)C3=O 587423011 HSGUIRKBUFEUBT-LAUBAEHRSA-N 340.394 4.476 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)cccc31)CC2=O 587472460 QYNZVQHNGPQJLD-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF O=C1C[C@]2(CCCC[C@@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 587516649 ZCAMBQJGRNZFHT-KNQAVFIVSA-N 348.446 4.417 0 1 EIAF Cn1ncc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587517545 PNBNORZUGNQQSF-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(O)cc4[nH]3)c2)cc1O 587785695 FNNNPWPKTXGPOQ-UHFFFAOYSA-N 332.359 4.317 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587831835 YLFOUIGOXSKGBI-ZKANADHPSA-N 338.220 4.422 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587931796 TUBCXCQVXIBBFZ-KPZWWZAWSA-N 327.815 4.374 0 1 EIAF CC[C@@]1(Cc2nc3cc(Cl)ncc3[nH]2)CC(=O)c2ccccc2C1 587960921 OGFQBGMSMMZNMZ-IBGZPJMESA-N 339.826 4.379 0 1 EIAF CCCC/C=C/c1nc2ccc(I)cc2[nH]1 587964971 FRRQFMAOJVJGBF-AATRIKPKSA-N 326.181 4.371 0 1 EIAF Cc1cccc([C@]2(c3ccccc3)c3ccsc3CCN2C(N)=O)c1 962698245 GLOWTDBBCUZLHV-OAQYLSRUSA-N 348.471 4.285 0 1 EIAF Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1ccccc1 1857569978 ZVTAGZNKWZEYEJ-UHFFFAOYSA-N 349.821 4.173 0 1 EIAF COc1cc(-c2n[nH]cc2-c2ccc(F)c(F)c2)cc(OC)c1OC 1857586162 GLZJVXOCVWEPFA-UHFFFAOYSA-N 346.333 4.048 0 1 EIAF COc1ccc([C@](C)(O)c2nc(-c3ccco3)nc3ccccc23)cc1 1911570384 BOKOHLYURHURGB-NRFANRHFSA-N 346.386 4.154 0 1 EIAF O=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1 1911582187 LWKFTNSSJJTMGU-UHFFFAOYSA-N 328.387 4.041 0 1 EIAF COc1ccc(Cl)cc1-c1cc(C(=O)NCC2CCCCC2)[nH]n1 61907363 OUACXKIWGAVTBW-UHFFFAOYSA-N 347.846 4.049 0 3 EIAF CC(C)=CCN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 12034941 DHVKQZZSRTZWCN-OAQYLSRUSA-N 337.463 4.123 0 1 EIAF CCCc1c(O[C@H](C(=O)O)c2ccccc2)ccc(C(=O)CC)c1O 13539286 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0 1 EIAF CCC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1 139768964 AJKWWNBIGFAQQJ-CQSZACIVSA-N 333.391 4.135 0 1 EIAF COc1cc(OC)c2ncnc([C@@H]3CCc4cccc(Cl)c43)c2c1 144386930 KKLUIQPFWARDOP-CYBMUJFWSA-N 340.810 4.379 0 1 EIAF in-vivo Fc1cc2c(cc1-c1cccnc1)CCc1nnc(-c3ccccc3)n1-2 299865946 UVINDRMMULJBRA-UHFFFAOYSA-N 342.377 4.234 0 1 EIAF Oc1ccccc1C1(c2nc3cc(Br)c(F)cc3[nH]2)CC1 586896968 NKZDCPBAUFYUKL-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF N[C@@H](N=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131527 MEXFYCQKWIGGHP-DTBJDSCCSA-N 342.349 4.168 0 1 EIAF Cc1ccc2c(ccc3nc(CC(=O)Nc4cccc(C)c4C)[nH]c32)n1 587239209 LVOSKCCWBFYHSF-UHFFFAOYSA-N 344.418 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(F)c1)O2 587386540 ZIONTVWSSLEMOY-LJQANCHMSA-N 336.366 4.214 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c4c(ccc13)CCC4)O2 587397556 WZWIXBBMTGPMST-IBGZPJMESA-N 332.403 4.254 0 1 EIAF CC[C@@H]1S[C@H](C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1C 587453069 PALRTWIOJPUGTJ-NPMRMFCRSA-N 332.465 4.122 0 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586988873 YTWPQDNIXCKXIZ-UHFFFAOYSA-N 338.366 4.138 0 1 EIAF COc1cccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 587198302 XOFBXCOQKHJSCO-OAHLLOKOSA-N 333.432 4.136 0 1 EIAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376862 UMCLDDMGCDYLJU-QGZVFWFLSA-N 331.799 4.336 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c[nH]c3ccccc13)O2 587396002 ICEWFMIQHVQEDD-OAQYLSRUSA-N 334.419 4.415 0 1 EIAF CCCCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515204 LTHUYEFXOVTOJT-LJQANCHMSA-N 336.435 4.405 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)OC)c2c1 587640606 BMUISSWSXHQAAW-LLVKDONJSA-N 339.439 4.485 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccs2)N1 587854984 UYUVCGXYNRBUQT-CLAHSXSESA-N 326.234 4.273 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(C)c(F)c1F 963056214 LIDVZSBVCFDAAS-HXUWFJFHSA-N 340.373 4.065 0 1 EIAF Cc1ccnc2c1CCN[C@H]2c1c(Cl)cccc1N1CCCCC1 963064660 BSXORZCFHSDLLB-FQEVSTJZSA-N 341.886 4.269 0 1 EIAF Cc1cc(CCC(=O)O)ccc1OCc1ccccc1OC(C)C 1772612072 KOXZJQZKTYJOEF-UHFFFAOYSA-N 328.408 4.378 0 1 EIAF CCCNCc1cccc(NC(=O)c2ccccc2Br)c1 1857570619 GMPUHBCMIQLICA-UHFFFAOYSA-N 347.256 4.201 0 1 EIAF CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@]2(C)CCC[C@]3(C)C(=O)O[C@H]1[C@H]32 2356503298 CHMFOVOONHFZLX-SACAXFFCSA-N 344.451 4.206 0 1 EIAF CCCCC[C@@H](O)C(=O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356630487 SQKPJSAFJDLBGU-UYAOXDASSA-N 346.467 4.373 0 1 EIAF COc1cccc2c1C[C@H](CC1CCN(Cc3ccccc3)CC1)C2=O 13449429 KUSSCVJBDDYTOG-IBGZPJMESA-N 349.474 4.353 0 1 EIAF FC(F)(F)c1cc(OCCCc2c[nH]cn2)cc(C(F)(F)F)c1 13580344 DFJKWRRWRYTYFG-UHFFFAOYSA-N 338.251 4.459 0 1 EIAF CCCc1c(OC)cc2oc3cc(Cl)c(Cl)n3c(=O)c2c1O 14717346 WBJYADUDHXOZSV-UHFFFAOYSA-N 342.178 4.019 0 1 EIAF biogenic CC[C@@]1(CC(=O)O)OCCc2c1oc1c(Cl)ccc(Cl)c21 28564047 AAXPYVOHUVYIFH-HNNXBMFYSA-N 329.179 4.392 0 1 EIAF COc1cccc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 40938425 UMOFCHDIDXZHIT-UHFFFAOYSA-N 346.312 4.310 0 1 EIAF NCCSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1 84619784 ATSHHVDHSHSISM-UHFFFAOYSA-N 349.499 4.163 0 1 EIAF Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl 117719562 VUMINTLTPBCKEQ-MRXNPFEDSA-N 328.843 4.368 0 1 EIAF Clc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587039765 FQZZLAWGFLVAQG-CABCVRRESA-N 329.856 4.163 0 1 EIAF Oc1c(Br)ccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587043592 SIUMBFLQRDXOSQ-GFCCVEGCSA-N 347.237 4.421 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587424147 XPHBWCJJZAFQDG-KSSFIOAISA-N 348.320 4.377 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3ccc(F)cc31)CC2=O 587469552 AMYWNTYQFQXHMA-FQEVSTJZSA-N 341.382 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cccn3)cc1)CC2=O 587475388 LIENPPLQKGEVOX-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1sccc1OC)CC2=O 587493919 JEPGTJZMTRPITC-SFHVURJKSA-N 332.421 4.295 0 1 EIAF O=C1C[C@H](c2c[nH]c3nc(F)ccc23)Oc2c1ccc1c2CCCC1 587507630 NOCLVCJIPYAURA-QGZVFWFLSA-N 336.366 4.287 0 1 EIAF Nc1cccc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587508012 FDPNQKXSVZOZQM-JOCHJYFZSA-N 333.431 4.345 0 1 EIAF CCCCCC[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529592 PVCUPFGJNBJRGI-HXUWFJFHSA-N 330.424 4.324 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587950831 CZSRPTFNMJRQFN-GDLVEWKHSA-N 328.416 4.191 0 1 EIAF COC(=O)c1cc2[nH]c(/C=C(/C)C3CCCCC3)nc2cc1OC 587967163 IEHNHGGNTLVTGA-XFXZXTDPSA-N 328.412 4.342 0 1 EIAF Clc1ccc2c(c1)CCN[C@]2(c1ccco1)c1cccnc1Cl 963389608 CJMKRTSWYCBFBB-SFHVURJKSA-N 345.229 4.419 0 1 EIAF CC(C)(C)c1cc(NC(=O)Nc2ccccn2)n(-c2ccccc2)n1 13474644 VXANPYYWKLKCMA-UHFFFAOYSA-N 335.411 4.209 0 1 EIAF Cc1ccc(CN(C[C@H](O)C(F)(F)F)c2cccc(F)c2)cc1 13490877 RFLDKZIVRVSDAK-INIZCTEOSA-N 327.321 4.064 0 1 EIAF COc1c(C(C)=O)c(OCc2ccccc2)c(OC)c2occc12 13560651 CITBAIJAOAYAOF-UHFFFAOYSA-N 326.348 4.232 0 1 EIAF CCCC(=O)NCCc1c2n(c3ccccc13)CCc1ccccc1-2 13805844 SIJMNWHGPOVPLN-UHFFFAOYSA-N 332.447 4.323 0 1 EIAF C[C@H]1CC(=O)c2c(coc2-c2c(O)ccc3c2OC(C)(C)C=C3)[C@H]1O 14587371 SRUGXOLNOMJETJ-BTDLBPIBSA-N 340.375 4.092 0 1 EIAF biogenic CCCc1cc(C(C)=O)ccc1OCc1ccc(C(=O)O)cc1OC 27900506 DIXOXDFUBGYYAL-UHFFFAOYSA-N 342.391 4.128 0 1 EIAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1 45319886 GTJXDICXFBBDIR-OAQYLSRUSA-N 347.414 4.373 0 1 EIAF CC(C)CN(C)C(=O)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1 66066390 SJKWPNVZJIRXQJ-UHFFFAOYSA-N 346.434 4.439 0 1 EIAF COc1cc(-c2nc(N)sc2-c2ccccc2)cc(OC)c1OC 72109830 GDXHHBVBMFEMRP-UHFFFAOYSA-N 342.420 4.085 0 1 EIAF CC(C)[C@](C)(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 84672110 OKTCWLWVPKWVHH-IBGZPJMESA-N 329.827 4.367 0 1 EIAF CC[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105481241 GTQKXNGZWXCFBI-URKNILKWSA-N 344.414 4.338 0 1 EIAF CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc(Br)c2)C1 138756071 PCLYKAGGELJIIV-WMZOPIPTSA-N 330.269 4.457 0 1 EIAF Cc1cccc(C#CC=C2CCN(C(=O)OCc3ccccc3)CC2)n1 141496866 WVZLFGZLNHDMTD-UHFFFAOYSA-N 346.430 4.101 0 1 EIAF CCC/C=C\COC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 166565206 VYMTVUHJJJHELN-PFCJTZRESA-N 336.472 4.354 0 1 EIAF CC1(C)[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]21 586989772 DYUXGVJTKFXRIV-ORAYPTAESA-N 327.383 4.448 0 1 EIAF Clc1cccc(-c2cc(-c3nc4c(Cl)nccc4[nH]3)n[nH]2)c1 587068374 TYGGMPMOGJLDEX-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(F)c2[nH]1 587167294 LPFJQAATDHBMMA-HNNXBMFYSA-N 342.349 4.210 0 1 EIAF COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1 587214495 RFJHLJLZKNIFGK-UHFFFAOYSA-N 333.387 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(C)cc(C)cc3c1=O)O2 587408354 MEAWWKDIJKBNGW-SFHVURJKSA-N 349.386 4.007 0 1 EIAF CC[C@@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 587415301 ZSTFORATGRXMCX-LEWJYISDSA-N 337.419 4.389 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(C4CC4)c1F)[C@@H](C2)C3=O 587425988 JKMHKQDIMOBATR-KKSFZXQISA-N 338.378 4.375 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(C(=O)c1ccc(F)cc1)CC2=O 587467813 SLNPTSOMMWWIQJ-FQEVSTJZSA-N 342.366 4.091 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OC(C)C)C1(C)C 587481190 QAQAMOLPVBPNPR-XLIONFOSSA-N 332.440 4.272 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(C)sc31)CC2=O 587495643 PPELNUQSHUZHIE-LJQANCHMSA-N 343.448 4.307 0 1 EIAF CC(C)(C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526536 XZYJFGXOBNZMAK-FQEVSTJZSA-N 330.424 4.021 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1 587567699 BBZBNZHNHPALSD-FXAWDEMLSA-N 336.318 4.234 0 1 EIAF CCc1ccc(C(=O)CCc2nc3cnc4ccccc4c3[nH]2)cc1 587956880 LOMNDENGPXPWTG-UHFFFAOYSA-N 329.403 4.489 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@H](CCC(=O)[C@@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 6201381 CBHDHTBGWBZUQE-CZNQJBLBSA-N 332.440 4.025 0 1 EIAF biogenic Cc1cccc(Cc2nc(SC3CCCCC3)[nH]c(=O)c2C)c1 13742873 FAIQNYLRNIRKSX-UHFFFAOYSA-N 328.481 4.402 0 1 EIAF COc1cc(Nc2nc(-c3ccccc3)c[nH]2)ccc1-c1cnco1 13860207 OQRVNXMKUVEPND-UHFFFAOYSA-N 332.363 4.484 0 1 EIAF Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CCC4)n3c2)cc1 14961274 QFVILCCNFWNYAN-UHFFFAOYSA-N 334.354 4.458 0 1 EIAF CSc1ccc(-c2cc3cc(C4=NNC(=O)CC4)ccc3[nH]2)cc1 26727055 WFHFPSMJHMROHV-UHFFFAOYSA-N 335.432 4.171 0 1 EIAF COc1ccccc1-c1nc2n(c1-c1ccccc1OC)CCS2 40812858 XLNPFTPINIMCMW-UHFFFAOYSA-N 338.432 4.340 0 1 EIAF O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1n[nH]c2ccccc12 40873525 OQNGGPLHATVXAM-UHFFFAOYSA-N 338.264 4.365 0 1 EIAF CCN(CC)C(=O)c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1 64700405 HYUPVKPAOWTASH-UHFFFAOYSA-N 330.190 4.005 0 1 EIAF COC(=O)c1cc(C(=O)c2ccccc2)n2ccc3ccccc3c12 71282399 OVNCNCYBMAVMOT-UHFFFAOYSA-N 329.355 4.110 0 1 EIAF COc1ccc2c(-c3[nH]c(=O)cc4c3[nH]c3ccccc34)ccnc2c1 73296498 PPXQLIICQQDSIF-UHFFFAOYSA-N 341.370 4.233 0 1 EIAF COc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1OC 95583401 WHOAWQFWGLWGGT-HNNXBMFYSA-N 331.799 4.093 0 1 EIAF CCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21 299819625 AWIFKALTOQTTSK-UHFFFAOYSA-N 348.406 4.109 0 1 EIAF Cc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](O)C[C@H]1c1ccccc1 584636938 JTBTYGJFYMKDQG-NQIIRXRSSA-N 334.463 4.483 0 1 EIAF Cc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587030003 VPPZHNWPGXIPEC-UHFFFAOYSA-N 345.431 4.393 0 1 EIAF COC(=O)c1cccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc12 587034316 SGMPTGQYJUKHHB-SNVBAGLBSA-N 326.421 4.203 0 1 EIAF Cc1nn(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2)c(C)c1Cl 587065379 PAGOLSPRWIEMEI-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF COC(=O)c1cccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c12 587095888 YRLJMTARNCGERD-UHFFFAOYSA-N 348.324 4.268 0 1 EIAF CO[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587099575 NMSPYRFHISBVDB-CYBMUJFWSA-N 329.399 4.258 0 1 EIAF Cc1ccc2c3c(cc(C[C@@H]4CCOC4)nc13)-c1ccccc1C2=O 587100575 DMMKGKZNMNOGLE-AWEZNQCLSA-N 329.399 4.334 0 1 EIAF N=c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc2[nH]1 587253839 LWOVWJSLKBTMNL-UHFFFAOYSA-N 344.296 4.089 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(-c3ccccc3)no1)O2 587394373 FTTOSNAUVOASDE-HXUWFJFHSA-N 334.375 4.113 0 1 EIAF CC[C@@H](C)Oc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401500 ROAMUVZMEBBREK-YJYMSZOUSA-N 325.408 4.461 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc(F)cc14)[C@@H](C2)C3=O 587428053 MVYAUSQMMLHKMQ-VBKZILBWSA-N 337.350 4.113 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O 587451187 PQEPSRXNLNPXTO-PGRDOPGGSA-N 346.382 4.217 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)Sc4sccc41)[C@@H](C2)C3=O 587453946 SUZPBQYMJJHTFP-AWDNOZMXSA-N 344.457 4.284 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)o1)(C1CCCC1)[C@@H](C2)C3=O 587456215 TUYPUABVTHQKOB-KKSFZXQISA-N 338.403 4.430 0 1 EIAF O=C1C[C@H]([C@@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 587535710 NMABYNMOQOWELK-DYESRHJHSA-N 334.415 4.466 0 1 EIAF CC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704720 JPKFTBVQMJFOGY-MADCSZMMSA-N 340.158 4.290 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(-c4cccs4)nn3)n1)O2 587875419 FJIHUNYXJSUBGK-UHFFFAOYSA-N 336.351 4.303 0 1 EIAF COc1ccc(/C=C\Cc2nc3c(C)cnc(Cl)c3[nH]2)c(OC)c1 587930191 QUNNEGOVOUGLMG-PLNGDYQASA-N 343.814 4.193 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587936397 KYDCSAXUVBDNIX-SJKOYZFVSA-N 339.439 4.101 0 1 EIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccccc1OC 653700491 KKUMYGSFNRDPQE-UHFFFAOYSA-N 346.386 4.033 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccc2cccnc12 963056055 KUQHJCAKSHSBCR-QFIPXVFZSA-N 341.414 4.027 0 1 EIAF COc1ccc(-c2ncccc2-c2nc3ccccc3[nH]2)cc1OC 1857611249 AZLFDEVJQGEHIQ-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1 95569512 ZZJFDYJCEUBFSE-UHFFFAOYSA-N 348.427 4.440 0 3 EIAF Cc1cccc2cc3c(N)c(C(=O)NC4CCCC4)sc3nc12 1342854 KHNIGIBKPXEMDL-UHFFFAOYSA-N 325.437 4.013 0 1 EIAF O=C(/C=C/c1cc(-c2ccccc2)[nH]c1C(=O)O)Nc1ccccc1 13778857 KEVIBGGMLMSKMH-VAWYXSNFSA-N 332.359 4.032 0 1 EIAF O=C1C(=O)N(Cc2c(F)cccc2F)c2c(Cl)ccc(Cl)c21 40955168 WANTUFDSVZMFHY-UHFFFAOYSA-N 342.128 4.001 0 1 EIAF O=C(OC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 45167332 JNEKYIRAAAWMTK-MRXNPFEDSA-N 329.827 4.019 0 1 EIAF Fc1ccc(C(CCCN2CCOCC2)c2ccc(F)cc2)cc1 66251912 FMNPBGLVZVBAED-UHFFFAOYSA-N 331.406 4.209 0 1 EIAF CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccc(F)cc2)s1 82165181 FMZCZUXWETWFMM-UHFFFAOYSA-N 342.443 4.425 0 1 EIAF CCCCCn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 82177944 IERXOQFXMVKSOX-UHFFFAOYSA-N 327.432 4.344 0 1 EIAF Cc1ccc(OCCOc2cccc3oc(C(=O)O)c(C)c23)cc1 98082734 FHKIQMSGUFBUSG-UHFFFAOYSA-N 326.348 4.206 0 1 EIAF COc1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)OC2)cc1 299820657 ICVVJTRTEBZHEH-UHFFFAOYSA-N 334.293 4.182 0 1 EIAF Cc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]c2=O)cc1 473106395 WYNCKSHQICRYSO-SOFGYWHQSA-N 341.208 4.164 0 1 EIAF CCc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1Br 586978018 WVMQHJIEMACJSN-UHFFFAOYSA-N 345.240 4.090 0 1 EIAF Fc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1F 587005562 KRGFTGKMZVMIRA-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)cnc2[nH]1 587076624 XYFPZVVRYOOIAN-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Cc1c(-c2c[nH]ccc2=N)nc2cccc3c2c1-c1ccccc1C3=O 587104965 XTMJDRZVRMYYTP-UHFFFAOYSA-N 337.382 4.229 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 587172169 YEJZKDQLNJGORT-NSHDSACASA-N 344.411 4.369 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587196873 ZUCXBEOZWGDTNL-VIFPVBQESA-N 335.238 4.483 0 1 EIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(N)ccnc3[nH]2)c1 587241047 PDSQFXPWJAPTQC-UHFFFAOYSA-N 344.422 4.150 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O 587453205 WAEOHCYWGFFKHP-JMERFSKESA-N 342.416 4.097 0 1 EIAF CCCCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521581 ILPIUBSHMINGOT-FQEVSTJZSA-N 330.424 4.023 0 1 EIAF CO[C@@H]1[C@H](C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587524116 NIGXRYKYSOYHOL-NQZBTDCJSA-N 326.436 4.104 0 1 EIAF O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637657 DWPSEWZNRBDKIT-UHFFFAOYSA-N 333.265 4.116 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1F 587871226 QQJHYUUWGVJDQT-UHFFFAOYSA-N 342.345 4.110 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587938654 YGIYBHWJLKTTSD-APPDUMDISA-N 330.815 4.370 0 1 EIAF Cc1c(F)ccc2c1[C@H](C(=O)c1ccccc1C(F)(F)F)NCC2 962144374 KGAOSYORRBIFOV-MRXNPFEDSA-N 337.316 4.223 0 1 EIAF c1ccc([C@@]2(C3CC3)c3ccsc3CCN2Cc2ccco2)nc1 962713939 XNOZGJVWJXDNEJ-HXUWFJFHSA-N 336.460 4.448 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cc(F)c(O)c(OC)c1 963226168 GTIOGZFPPVHXQY-BFUOFWGJSA-N 329.415 4.286 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]21CCC(C)=C1Br 963269589 LAVNDISBXJXVLY-HNNXBMFYSA-N 342.664 4.152 0 1 EIAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(Cl)nc2)c1F 1772597402 IXBPZBITBTWPLQ-LLVKDONJSA-N 327.186 4.168 0 1 EIAF CCc1sc2ncnc(N[C@H](C)C(=O)O)c2c1-c1ccccc1C 1857615456 KDHYCQVMOSOAAE-LLVKDONJSA-N 341.436 4.114 0 1 EIAF c1ccc(CNc2nc(CN3CCCCC3)nc3ccsc23)cc1 29208314 IVDUBZJUIURKLB-UHFFFAOYSA-N 338.480 4.289 0 1 EIAF O=c1c2ccccc2nc2sc(Nc3cccc4ccccc34)nn12 36380866 BUFFBLXALBIRFY-UHFFFAOYSA-N 344.399 4.201 0 1 EIAF CC(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 38317578 VFGSNLRSCYUGNT-CYBMUJFWSA-N 334.721 4.330 0 1 EIAF COc1cc2ncnc(-c3c[nH]c4cc(F)c(C)cc34)c2cc1OC 40899115 QDHLJTKZOXNREZ-UHFFFAOYSA-N 337.354 4.243 0 1 EIAF CCCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 45245313 BPIAKNZODYMQSE-UHFFFAOYSA-N 348.402 4.286 0 1 EIAF Cc1cccc(C(C)C)c1Sc1oc2nc(N)nc(N)c2c1C 45394279 FRCJZUGCJHVMGL-UHFFFAOYSA-N 328.441 4.279 0 1 EIAF CCNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 73198493 YPXNJMUSTWLKRM-UHFFFAOYSA-N 340.406 4.256 0 1 EIAF COCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84596679 HHYCDNQUPPMKKX-UHFFFAOYSA-N 345.402 4.113 0 1 EIAF CC[C@@]1(C(=O)NCCc2ccc(Cl)cc2)[C@H](C)C1(Cl)Cl 103295412 DXJLAQORBQZBCH-HZMBPMFUSA-N 334.674 4.219 0 1 EIAF Cc1ccncc1N1CCN(c2csc3ccnc(Cl)c23)C1=O 149113764 ZSXYCWMTEFDCJY-UHFFFAOYSA-N 344.827 4.100 0 1 EIAF COc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 221112934 IIAPYKFNPGGPPX-QGZVFWFLSA-N 339.416 4.425 0 1 EIAF COC(=O)[C@H](C)CCC[C@@H]1C(C)(C)[C@H]2C=C3C[C@@H](C)[C@H](O)[C@]31CC2 238742502 JGSCGGSHKGLIOT-NZZFXCMSSA-N 334.500 4.345 0 1 EIAF C[C@H]1CC=C2[C@@H](CCC[C@@]2(C)C(=O)O)[C@]1(C)CCC1=CC(=O)OC1 238755624 SKTUTBQPNITOBA-HLXNBZPMSA-N 332.440 4.113 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1 586878463 DWUOJXVGWUMHDH-AATRIKPKSA-N 334.709 4.363 0 1 EIAF COc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1F 586971275 QGAMBDRWOACRPI-UHFFFAOYSA-N 330.428 4.495 0 1 EIAF Cn1cc(-c2ncc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cn1 587021291 HOLPMLQMDRSUEJ-UHFFFAOYSA-N 349.341 4.106 0 1 EIAF Oc1ncnc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587049720 FCIXVIFEGPRHQC-UHFFFAOYSA-N 347.161 4.292 0 1 EIAF OCCc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073425 INFPPPZHRKZTPX-UHFFFAOYSA-N 326.827 4.025 0 1 EIAF OCCc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083785 LMIOVVDMWKNPRX-UHFFFAOYSA-N 349.821 4.480 0 1 EIAF Clc1nccnc1N1CCC(c2nc3cccc(Cl)c3[nH]2)CC1 587084756 HUMVSKQCFOJNDB-UHFFFAOYSA-N 348.237 4.044 0 1 EIAF COC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097314 ITDRNFQIRJLZHF-UHFFFAOYSA-N 338.260 4.174 0 1 EIAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1F 587109992 ZLGTZGZLDUTVSF-UHFFFAOYSA-N 338.260 4.394 0 1 EIAF Cc1ccc(/C=C/c2nc3cc(Br)cnc3[nH]2)cc1F 587146201 CZVUAKWPIJOEBA-SNAWJCMRSA-N 332.176 4.338 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4ccc5ncccc5c4[nH]3)c2)cc1 587165468 WEXRXKHEERSSFD-UHFFFAOYSA-N 343.365 4.162 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(Cl)cccc14)[C@@H](C2)C3=O 587422599 QXQPCSFGCHVVFP-BUXKBTBVSA-N 339.778 4.319 0 1 EIAF O=C1C[C@@H](c2cc(Cl)c(O)cc2O)Oc2c1ccc1c2CCCC1 587503760 GIORPEXQZQGRQF-SFHVURJKSA-N 344.794 4.337 0 1 EIAF C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604548 WTYBTJISIPANAM-KNQAVFIVSA-N 346.382 4.355 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C2CC2)N1 587758492 XUZOLVZJPRXAJS-BTDLBPIBSA-N 349.247 4.348 0 1 EIAF CC[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772049 NDPQJRFNFMIZOV-DIFFPNOSSA-N 349.247 4.171 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)ccnc2[nH]1 587927020 NACKMBBBCIKGRU-NSHDSACASA-N 331.803 4.170 0 1 EIAF COc1ccc([C@](C)(O)c2nc(-c3cccc(F)c3)cs2)cc1 61926745 XMJUGGDODUDEOO-SFHVURJKSA-N 329.396 4.214 0 3 EIAF c1ccn2nc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1 1909706 KCNYNEUCOAMVDX-UHFFFAOYSA-N 335.451 4.256 0 1 EIAF CCO/C(O)=C(\c1ccnc(Cl)n1)c1nc2ccccc2s1 13647680 CTQQRWWTYJWQDS-WYMLVPIESA-N 333.800 4.051 0 1 EIAF O=C(c1ccccc1)N1[C@H]2CC[C@@H]1C(C(F)(F)F)=C2C(F)(F)F 17888939 MOQUFGYMVKYBAL-AOOOYVTPSA-N 335.247 4.095 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2)N3C)cc1 34228544 HIQHQNWJRSNELD-BVOGOJNSSA-N 335.447 4.167 0 1 EIAF COc1ccc(-c2ccc3c(c2)CC[C@@]3(O)c2ccncc2)cc1F 40975556 VKGRHANZJPGGQL-OAQYLSRUSA-N 335.378 4.078 0 1 EIAF Cc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1 72182683 QPQYEEQVKIPOIX-UHFFFAOYSA-N 339.483 4.100 0 1 EIAF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccccc2F)oc1C 82175494 VUBODRGMWKVJJU-UHFFFAOYSA-N 338.386 4.155 0 1 EIAF Oc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N1CCCC1)CC2 88261081 ZWYPYSDMZGMNEO-NHCUHLMSSA-N 325.427 4.268 0 1 EIAF O=C(Nc1nnc(-c2ccncc2)s1)Oc1ccc2ccccc2c1 96934880 JVAFGYCFRCDKQG-UHFFFAOYSA-N 348.387 4.364 0 1 EIAF CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3c(C)cccc32)C1(C)C 100714657 GZUWNHDNANLVKW-VQTJNVASSA-N 338.471 4.126 0 1 EIAF O=c1cc(-c2ccc(Cl)cc2)oc2ccc(Cn3ccnc3)cc12 103217763 BYBRGUXARMNEKR-UHFFFAOYSA-N 336.778 4.358 0 1 EIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)OCCc1ccc(Cl)cc1 117730538 YHJSSTNTUKLGHQ-INIZCTEOSA-N 344.842 4.208 0 1 EIAF CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC1=CCOC1=O 238750641 IYPOCJXQNIFGFO-FVCZOJIISA-N 332.440 4.113 0 1 EIAF Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)CCCC3 392227585 YFBPSOGPAJLCDJ-UHFFFAOYSA-N 341.411 4.149 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)cc2[nH]1 586915551 FVHNPGSGXCMSRR-AUUYWEPGSA-N 340.810 4.433 0 1 EIAF Cc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br 587021885 QIAROKYBKMYRGN-UHFFFAOYSA-N 328.622 4.411 0 1 EIAF Oc1ccc2scc(-c3nc4ccc(Br)nc4[nH]3)c2c1 587031922 CEOHVLCQLQIMLF-UHFFFAOYSA-N 346.209 4.308 0 1 EIAF CCCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587398728 HFVRRNKLBIYIDH-LJQANCHMSA-N 325.408 4.245 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc4[nH]cc(Cl)c14)[C@@H](C2)C3=O 587419444 DZSSUACMHTUBMM-HXPMCKFVSA-N 339.778 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O 587426845 QLSKIWIPUQQBSA-VOJFVSQTSA-N 332.758 4.285 0 1 EIAF CCc1oc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455294 LTGLQJHYFBIRON-SZNDQCEHSA-N 334.371 4.493 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@@H](C)C1=O 587478722 HKELEOFVNYPOLE-MPBGBICISA-N 330.424 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(C)C)([C@@H]1CCCNC1)CC2=O 587484775 NPETTWOGLNCXFO-VFNWGFHPSA-N 345.483 4.094 0 1 EIAF Nc1cccc2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587508015 FDPNQKXSVZOZQM-QFIPXVFZSA-N 333.431 4.345 0 1 EIAF Cn1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc21 587876129 ZMDYCJFJUKOPQR-UHFFFAOYSA-N 333.322 3.975 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2cc(Br)ncc2[nH]1 587954558 AAYPVCWUSDKOSU-UHFFFAOYSA-N 330.229 4.355 0 1 EIAF CCc1nn2cc(-c3nc4ccc(OC5CCC5)cc4o3)nc2s1 653672888 XSPBIHLCIZNJAV-UHFFFAOYSA-N 340.408 4.093 0 1 EIAF COc1ccc2c(c1OC)[C@@](C)(CCc1ccsc1)N(C)[C@H](C)C2 962628409 LYGRJGZEBPLSGT-JLTOFOAXSA-N 345.508 4.490 0 1 EIAF Cc1cc(C)cc([C@@]2(C3CCC3)NCCc3nc4ccccn4c32)c1 962986576 IZCDCHMANNQJGP-JOCHJYFZSA-N 331.463 4.141 0 1 EIAF COc1ccccc1C1=CCN(CC[C@@H](O)c2ccc(F)cc2)CC1 1857645447 TXYAYCJIRQFEJD-HXUWFJFHSA-N 341.426 4.047 0 1 EIAF CC(C)CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 1857769663 ZGCLHZNRQPZJTL-KRWDZBQOSA-N 342.391 4.099 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@@]2(C)[C@H]1C 2356395216 NITWZXGUPPFECT-MNFOOTCESA-N 330.424 4.257 0 1 EIAF COc1ccc([C@@](C)(O)c2nc(-c3ccccc3OC)cs2)cc1 61895538 PYXMGBPDRLEBMH-LJQANCHMSA-N 341.432 4.083 0 3 EIAF COc1ccccc1CNc1nc(NC(C)C)nc2ccsc12 61926168 QSBMIFUOPLNQNA-UHFFFAOYSA-N 328.441 4.132 0 3 EIAF O=C(O)c1ccc2c(c1)[C@H](NCc1ccccc1)c1ccccc1CO2 13827506 XSROGYUVXWVVEW-OAQYLSRUSA-N 345.398 4.156 0 1 EIAF Oc1cc([C@H](O)[C@@H]2O[C@@H]2c2ccccc2)ccc1Oc1ccccc1 14683222 CCLMXUULUZEKRQ-HBMCJLEFSA-N 334.371 4.358 0 1 EIAF biogenic COc1ccc([C@@H]2CCCc3nc4ccccc4c(N)c32)c(OC)c1 26666717 RZDBSHNOZSDGTB-HNNXBMFYSA-N 334.419 4.302 0 1 EIAF CCCCC(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12 35190694 IVODUASJCWGTHV-UHFFFAOYSA-N 333.863 4.339 0 1 EIAF C[C@H]1CCCC[C@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O 40849140 VYEYDYUNTJWMSG-QFYYESIMSA-N 341.238 4.276 0 1 EIAF Cc1ccc(-c2[nH]nc(C3CCN(C)CC3)c2-c2ccncc2)cc1 49072975 NHAUEEJNXMIPKO-UHFFFAOYSA-N 332.451 4.256 0 1 EIAF Cc1nn(C)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1[N+]#N 95578839 XSIZLUNTPLBVNR-UHFFFAOYSA-O 326.167 4.164 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/C[C@H]3CCC(C)(C)N3C)[C@@H]12 101008403 BFWLLXLCNDBKTL-NJPIXWDJSA-N 343.511 4.484 0 1 EIAF O=C(Cn1ccnc1)c1ccc(-c2ccc(Br)cc2)cc1 142520979 FKOCPQACEHKSNI-UHFFFAOYSA-N 341.208 4.196 0 1 EIAF CC[C@](C)(CN)c1cccc(-c2ccnc3[nH]nc(C(F)(F)F)c23)c1 167640540 FVLINCCRNSKXDY-QGZVFWFLSA-N 348.372 4.270 0 1 EIAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 169334811 UBTJBCNZKMTYEM-VGOFRKELSA-N 332.447 4.467 0 1 EIAF CNC(=O)Nc1nc2cc(Oc3cccc4ccccc34)ccc2[nH]1 299832933 USGMDOSUVOEMIJ-UHFFFAOYSA-N 332.363 4.260 0 1 EIAF Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1C 586996496 GNLIOOUFAGMYSU-CQSZACIVSA-N 344.256 4.185 0 1 EIAF Cc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F 587004931 DYEVIKJTBQDODV-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Cc1c[nH]c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587097097 PJMVKIWQOHBKRC-UHFFFAOYSA-N 325.371 4.453 0 1 EIAF OCc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111815 HZCXSEICPLGXBX-UHFFFAOYSA-N 343.308 4.289 0 1 EIAF C[C@@]1(c2nc3cccc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587153901 BFQBJLFWNKUWPA-KRWDZBQOSA-N 329.762 4.147 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(C(F)(F)F)cccc31)O2 587382698 NVPMASRZYFSKLR-SFHVURJKSA-N 347.336 4.403 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587423871 VWGQOQXXLFPDSR-GUYCJALGSA-N 334.293 4.203 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC(C)(C)c4ccccc41)[C@@H](C2)C3=O 587446885 HMBWFDHJFWMOAQ-JTSKRJEESA-N 334.415 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)nc1C)CC2=O 587490606 YYRIPVTYHNMHKA-QGZVFWFLSA-N 341.407 4.072 0 1 EIAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587514202 VXSNVAIMNFMQAO-HXUWFJFHSA-N 337.419 4.044 0 1 EIAF C[C@]1(c2cnc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 587525061 LYQNCZRPBAISEQ-JOCHJYFZSA-N 344.414 4.389 0 1 EIAF Cc1cc(C)cc(OCc2nc3c(C)c(Br)cnc3[nH]2)c1 587564275 HQAQJWCGEGXDHO-UHFFFAOYSA-N 346.228 4.225 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(F)F)CC2)N1 587719789 RFONILWOUCSSNI-JVXZTZIISA-N 334.179 4.209 0 1 EIAF Cc1cc(C)nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587771973 MRILXMXOJJVMIR-APPDUMDISA-N 349.247 4.224 0 1 EIAF CCc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873454 FTIDFXYVFFTZLN-UHFFFAOYSA-N 338.338 4.077 0 1 EIAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2cccc(F)c2)N1c1ccc2nc[nH]c2c1 1772605938 AXGOBNZDSAVKKO-MBOZVWFJSA-N 345.377 4.148 0 1 EIAF O=C(Nc1ccc(F)cc1)c1ccccc1-n1cc2ccccc2n1 1772615509 HLPFVXGHEMDMEV-UHFFFAOYSA-N 331.350 4.417 0 1 EIAF CC=C[C@@H]1OC[C@@]2(COC(=O)NCCCC)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 2356735877 KQNWOQWLNRLDSK-ZYNAIFEFSA-N 335.488 4.322 0 1 EIAF COc1ccc2nc3oc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3cc2c1 15895033 RNWNQKKNUYZURB-BETUJISGSA-N 338.407 4.108 0 3 EIAF CCc1ccccc1-n1cnc2cc(C(=O)NC3CCCC3)ccc21 216315 NXTWWGUFYXBXPU-UHFFFAOYSA-N 333.435 4.260 0 1 EIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N(C)C 4295636 RVGPATLOLUZPGU-RTBURBONSA-N 346.471 4.187 0 1 EIAF O=C(Nc1nnc(C2CCCCC2)o1)c1cccc(C(F)(F)F)c1 10881184 PWKZFEGKFAVSJX-UHFFFAOYSA-N 339.317 4.388 0 1 EIAF Oc1noc(C2CCNCC2)c1C(c1ccccc1)c1ccccc1 13473979 BPGXJIUWJBHGIH-UHFFFAOYSA-N 334.419 4.027 0 1 EIAF CC[C@@]1(c2ccccc2)C(=O)c2cccn2-c2ccccc2[S@@]1=O 13756786 DNJXAPVRLRXLBO-HYBUGGRVSA-N 335.428 4.087 0 1 EIAF Cc1cc(C)c2c(c1)/C(=C\[C@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2 27993333 YJDJAAUKUBEUGL-JURCDDRXSA-N 348.442 4.399 0 1 EIAF CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCCCC1 40863194 WLWHNXMTVCKXGI-KRWDZBQOSA-N 343.389 4.251 0 1 EIAF FC(F)(F)c1ccccc1O[C@@H](c1cccnc1)C1CCNCC1 43022342 ABLMTRUAAOJKSC-QGZVFWFLSA-N 336.357 4.220 0 1 EIAF COc1cc2cc[n+](CCc3ccc(Cl)cc3)cc2cc1OC 71294744 DDGZZFOKZNZJDB-UHFFFAOYSA-N 328.819 4.041 0 1 EIAF CN[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@H]2CC[C@@H]34)C1 72108530 RSFPISDAJMWREU-UACFYWDWSA-N 343.511 4.079 0 1 EIAF CCCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(C(C)C)cc1 103168396 IRHFNLICKBBLET-DLENHJPASA-N 345.483 4.307 0 1 EIAF Cc1[nH]n([C@H](C)C2CC2)c2nc(-c3cn(C)nc3-c3ccccc3)nc1-2 103590201 OGTUFZOTTJEYJP-CYBMUJFWSA-N 346.438 4.058 0 1 EIAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 148891450 HNKLJSLPSPDIEF-LEWJYISDSA-N 328.415 4.421 0 1 EIAF C[C@H]1CC[C@]23CO[C@H](C=C2C(=O)O)C[C@H]3[C@]1(C)CCc1ccoc1 238776080 YNNJQADRYQOWDM-LPWIECGZSA-N 330.424 4.065 0 1 EIAF O=C1NCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1 299828814 WYVPRGBNBZNIEM-UHFFFAOYSA-N 328.415 4.004 0 1 EIAF O=S1(=O)C=Cc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1 299858622 DXUTYRZDAOPTCT-UHFFFAOYSA-N 327.188 4.353 0 1 EIAF CSCC(C)(C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586968570 FYHNDURQHPBZHZ-UHFFFAOYSA-N 326.469 4.035 0 1 EIAF COC(=O)[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097132 IPOJXEVFKMCKBL-LBPRGKRZSA-N 331.371 4.031 0 1 EIAF C[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F 587097429 HLVAOQHNFNJAFI-BJOHPYRUSA-N 348.328 4.457 0 1 EIAF Cc1c(CCC(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100639 NCDNNPSQSXDMLS-UHFFFAOYSA-N 331.371 4.080 0 1 EIAF COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cn1 587144836 CSBNHMYTIMCCHY-UHFFFAOYSA-N 333.366 4.363 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(F)c1)[C@@H](C2)C3=O 587428000 KZLSJTUQDMBEIX-KKSFZXQISA-N 349.361 4.114 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc([C@@H]4CCCCO4)o1)[C@@H](C2)C3=O 587452111 DFVMBMZWPKDVSD-YRVVQQKDSA-N 340.375 4.019 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)cccc31)CC2=O 587471949 NBEJEQJBRLBARW-HXUWFJFHSA-N 342.366 4.127 0 1 EIAF O=N[C@@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587502933 GPDIICIJHXVOHU-TZIWHRDSSA-N 333.387 4.117 0 1 EIAF C[C@@H]([C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(F)(F)F 587708258 AGWVPKIWTPOOJG-KEHGIVTQSA-N 340.158 4.362 0 1 EIAF COc1cc(OC)cc(-c2cnc3cnc(-c4ccccc4C)cn23)c1 1857580241 BFPHHVITIVMZJK-UHFFFAOYSA-N 345.402 4.389 0 1 EIAF Cc1ccc(Nc2ccc3c(c2)[C@](O)(Cc2ccccc2)C(=O)N3)cc1 1857588947 LITVPNILVLLFFJ-JOCHJYFZSA-N 344.414 4.121 0 1 EIAF COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C=C[C@](C)(CC[C@H]3[C@@]2(C)CC[C@H]1O)C4 2356383387 LFZKYFUJTHRDRN-YNZBODFESA-N 332.484 4.099 0 1 EIAF COC(=O)C1=CCCC(C)=C[C@H]2OCC(C)=C2C[C@H](O)C(C)=CCC1 2356455297 OCECFDGDAVQDAG-VQTJNVASSA-N 346.467 4.019 0 1 EIAF CC(C)CNC(=O)C=CC=CCCCCc1ccc2c(c1)OCO2 2356626828 KXYVTCVLCVPQKR-UHFFFAOYSA-N 329.440 4.013 0 1 EIAF COC[C@]1(C)C(=O)CC[C@]2(C)c3cc(O)c(C(C)C)c(O)c3CC[C@H]21 2356638681 NNFYPMHXMLVZMN-HBGVWJBISA-N 346.467 4.057 0 1 EIAF CCO[C@@H](CCc1ccccc1)c1c(OC)cc(OC)cc1OC 2356781174 AOXIXAULBXBHFC-KRWDZBQOSA-N 330.424 4.423 0 1 EIAF COc1cccc([C@](C)(O)c2nc(-c3ccccc3C)cs2)c1 61904414 PQXAWSDMCBKPPR-IBGZPJMESA-N 325.433 4.383 0 3 EIAF COc1c(C(C)C)ccc2c1CC[C@H]1C3=C(CC[C@@]21C)C(=O)OC3 1572118 JQYCSQASGZODFD-RXVVDRJESA-N 326.436 4.286 0 1 EIAF biogenic,in-vitro C[C@@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 2498593 FALASDILZBJNJM-WMLDXEAASA-N 332.762 4.249 0 1 EIAF COc1ccc(CC2c3ccccc3C(=O)c3ccccc32)cc1O 13525007 UHKWGSUXTWGHQD-UHFFFAOYSA-N 330.383 4.320 0 1 EIAF C[C@@]12Cc3c[nH]nc3C=C1CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 17302149 OIIHTRLQCQVVQC-JFLLUYDKSA-N 326.484 4.343 0 1 EIAF Nc1nc(N)c2c(CSc3ccc4ccccc4c3)cccc2n1 25970531 ZUUKBKAAIZGEMF-UHFFFAOYSA-N 332.432 4.240 0 1 EIAF CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 40891822 FZGWDCDUMFWUEO-UHFFFAOYSA-N 343.496 4.358 0 1 EIAF Cc1ccc(-c2ccc3ncn(-c4ccc([S@](C)=O)cc4)c3c2)o1 45301478 ZYOCBZQEEMRFOK-XMMPIXPASA-N 336.416 4.331 0 1 EIAF Cc1cccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)c1 72182439 RPRCJMZNYUQBKF-HXUWFJFHSA-N 347.462 4.014 0 1 EIAF CCCc1nn2c([C@H](C)c3ccc(CC(C)C)cc3)nnc2s1 103218440 RSXOZEHOPYLQTN-CYBMUJFWSA-N 328.485 4.489 0 1 EIAF C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)N2CCN(CC)CC2)co1 103283684 PREPUTJROSKPDO-UZCYSTGLSA-N 342.483 4.373 0 1 EIAF Clc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(Cl)c1 147316620 RCVRAKKZOKHPFT-UHFFFAOYSA-N 344.205 4.177 0 1 EIAF O=C(O)c1ccccc1Nc1c(Cl)ccc(C(=O)O)c1Cl 238777996 FQAIOJPQSADQQS-UHFFFAOYSA-N 326.135 4.133 0 1 EIAF CSCC(C)(C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586969226 OVEVFQCMKFVUEW-UHFFFAOYSA-N 339.333 4.253 0 1 EIAF O=C1c2ccccc2-c2cc([C@H]3CCCCC3=O)nc3ccc(O)c1c23 586989543 AYNOYEXKMBGVOP-CQSZACIVSA-N 343.382 4.379 0 1 EIAF Cc1ccc2c3c(cc(CC(=O)C(F)F)nc13)-c1ccccc1C2=O 586995174 JKQBVZXNEMPNAY-UHFFFAOYSA-N 337.325 4.131 0 1 EIAF Fc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587007313 ZSZIEELEHPCZES-UHFFFAOYSA-N 330.160 4.384 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cnncc2[nH]1 587014231 JPQPXSRTZXMMML-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(OC)cc3[nH]2)s1 587014744 PNEDIMACGGQLQW-JTQLQIEISA-N 347.440 4.110 0 1 EIAF COc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc(Cl)c1O 587046621 YNKZZJSAKAGQPA-UHFFFAOYSA-N 327.142 4.390 0 1 EIAF COc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cn1 587242055 MFPFMYRCAQLBBI-UHFFFAOYSA-N 338.411 4.008 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@H]32)[C@H]1c1ccc(F)cc1 587356180 ZCTLFKFTHDSKLO-FRMWTETBSA-N 338.378 4.449 0 1 EIAF CCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357950 XIYZTPVXMMSQKG-ICSRJNTNSA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(OC(C)C)cc1)O2 587400165 LGGAKKNHDMKIDU-QGZVFWFLSA-N 339.435 4.331 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CCCc5cccc1c54)[C@@H](C2)C3=O 587447069 KUWOHNLRTVPTEG-BUTRMIIQSA-N 332.399 4.162 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CS[C@@H](c4cccs4)C1)[C@@H](C2)C3=O 587450975 MLOIGWFDCKAPEG-WBHUJUFNSA-N 344.457 4.121 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3nsnc13)CC2=O 587495209 NWISTKHILHVTRP-MRXNPFEDSA-N 340.404 4.056 0 1 EIAF Nc1ccc2c(c1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510608 MCYBPPSISIZESA-JOCHJYFZSA-N 333.431 4.345 0 1 EIAF O=C1C[C@H](c2ccn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587516485 UHSUJADICUUVSV-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(C(F)(F)F)cn1 963111756 REJHLGCNDHIUKV-WMLDXEAASA-N 336.332 4.349 0 1 EIAF Cc1ccc(-c2[nH]c(=N)sc2-c2ccc3ncccc3n2)cc1C 1857761278 KAQYKMBDFMGVMU-UHFFFAOYSA-N 332.432 4.450 0 1 EIAF C[C@H](CCCC(=CCO)CO)CCC[C@H](C)CCCC(C)(C)O 2356445405 AKXRSPSASWQOHJ-ROUUACIJSA-N 328.537 4.451 0 1 EIAF CCCCCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356549221 VNYSSYRCGWBHLG-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF CC=C(C)[C@@H]1C(C)=C[C@@H]2[C@H](O)CC[C@H](C)[C@@H]2[C@@H]1C=CC=CC(=O)O 2356759126 KNDPLJZJPQWOMQ-WASLEORBSA-N 330.468 4.365 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC21OCCO1 254129575 SXXRMGBMPQWUTB-XGXHKTLJSA-N 332.484 4.053 0 3 EIAF CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)C(=O)O 1546988 VIJHFKMETGRZHJ-UHFFFAOYSA-N 336.428 4.207 0 1 EIAF CCOC(=O)c1oc2cc(-c3ccccc3OC)cc(O)c2c1C 28380914 CRRQJWUNMCIMCN-UHFFFAOYSA-N 326.348 4.299 0 1 EIAF COc1cc([C@@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 33832948 GMXMKSFJQLFOSO-BINDOVRGSA-N 344.407 4.200 0 1 EIAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccccc1 34029113 MBNDGLPUUWJOFQ-UHFFFAOYSA-N 337.404 4.158 0 1 EIAF CCCCOc1ccc(Nc2cc(C)nn(-c3ccccc3)c2=O)cc1 43013334 PMSONHXBOYXKFR-UHFFFAOYSA-N 349.434 4.463 0 1 EIAF Cc1noc(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)n1 45301484 CCZYTZLJEVDQED-DEOSSOPVSA-N 338.388 4.196 0 1 EIAF COc1cc(Nc2cccc3c2nc(C)n3C)ccc1-n1cnc(C)c1 95576377 BBYCLPSSRHOZFH-UHFFFAOYSA-N 347.422 4.128 0 1 EIAF CSC(=S)/N=c1/sc(C)cn1-c1cccc(C(F)(F)F)c1 103272291 VXEVMGQRFHJSTJ-GZTJUZNOSA-N 348.440 4.415 0 1 EIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC/C(C)=C/CC1 169354729 FAEJVRZJKQNLJF-LPLKUJFNSA-N 331.500 4.343 0 1 EIAF C/C=C1\[C@@H]2C[C@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 238767384 JBSGCOASAIDQQP-XANQZYEMSA-N 338.451 4.028 0 1 EIAF OCc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586895252 VGCSXFGDUJDOFA-UHFFFAOYSA-N 330.387 4.301 0 1 EIAF Cc1cc(Cc2nc3c(Cl)ccnc3[nH]2)ccc1Br 586975359 BGFYGAGOEIFXIH-UHFFFAOYSA-N 336.620 4.273 0 1 EIAF COc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979960 ZDABGIRYMCOJON-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Cc1cc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c(C)n1 587244924 RPASRPKZEQLTIT-UHFFFAOYSA-N 342.402 4.494 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C)c1OC(F)F)O2 587381543 GSIVYYGPPOYYTR-HNNXBMFYSA-N 333.334 4.194 0 1 EIAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587417889 FOZLDNIWRJIQPE-PYFOHURJSA-N 328.795 4.268 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CS[C@H](c4cccs4)C1)[C@@H](C2)C3=O 587450976 MLOIGWFDCKAPEG-XLWVJDPXSA-N 344.457 4.121 0 1 EIAF COc1cc2c3c(c1)O[C@](CC(C)C)(c1cccs1)[C@@H](C2)C3=O 587453130 URABVVMASQINLR-LIRRHRJNSA-N 328.433 4.446 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(F)cc1OC)CC2=O 587466485 NYXFRGDPBFLERX-QGZVFWFLSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cccc1OC)CC2=O 587476831 GMCWZQXNTOHHDH-GOSISDBHSA-N 326.392 4.368 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(C)=O)s1)CC2=O 587495791 UGRUJNCIMNQNPA-HNNXBMFYSA-N 330.405 4.315 0 1 EIAF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cccc(F)c12 587633554 GQXDHCORBDDIGG-UHFFFAOYSA-N 337.272 4.102 0 1 EIAF CCOc1cc(-c2nc3cc(Br)ncc3[nH]2)ccc1C 587779016 WUEPNHFLEJCFHD-UHFFFAOYSA-N 332.201 4.095 0 1 EIAF C(=C/c1nc2cncnc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587783749 GKPCVABKKYGWQX-DHZHZOJOSA-N 328.375 4.102 0 1 EIAF CSC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587841994 CUBWFEWTFFWZPB-AMIZOPFISA-N 330.266 4.059 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ncc2[nH]1 587925985 DZFOKLPMVLSQOR-NSHDSACASA-N 331.803 4.170 0 1 EIAF COc1ccc(/C=C/Cc2nc3cccc(Cl)c3[nH]2)c(OC)c1 587929735 PFSXTVAKSKNHKO-HWKANZROSA-N 328.799 4.489 0 1 EIAF OCc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956092 TVQZTJYQDVRKHT-IBGZPJMESA-N 328.415 4.430 0 1 EIAF CCC[C@H](C[C@]1(C)N[C@H](CC)Cc2c1[nH]c1ccccc21)C(=O)O 962944190 HEBWNDYKDUPNIV-JZKQVHKSSA-N 328.456 4.198 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3[nH]cc(C=O)c3c2)N1 962950641 OBKMDIVEIUWYFT-BTYIYWSLSA-N 343.430 4.475 0 1 EIAF Cc1cccc(CC[C@]2(C3CCC3)NCCc3nc4ccccn4c32)c1 962988422 NYLCLBXHRGMZCH-HSZRJFAPSA-N 345.490 4.417 0 1 EIAF 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CN[C@@H](c1cccnc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587224829 HQDUXESFJVGQHQ-IBGZPJMESA-N 346.459 4.418 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(C)cc13)CC2=O 587481886 IQZHBSJOLFDIKP-SFHVURJKSA-N 336.391 4.236 0 1 EIAF O=C1C[C@@]2(CCc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587503111 WSFLGOFPAADIDO-HXUWFJFHSA-N 339.822 4.421 0 1 EIAF C[C@]1(c2ccsc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587530296 DYGNXGAMHYOWQT-LJQANCHMSA-N 342.416 4.206 0 1 EIAF CCn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587756649 SSHIHALEYPSCAU-HWPZZCPQSA-N 337.236 4.033 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccsc2)N1 587853014 KHIZHSXSHPRWCG-BJOHPYRUSA-N 340.261 4.447 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C)nn1 587866113 SLHFKYWPJBOCGW-UHFFFAOYSA-N 348.328 4.055 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(Br)nc3)n1)O2 587873341 ZIECALVACCIHRJ-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF COc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1F 587932806 ZPDRUJBFOAAAOC-BUXKBTBVSA-N 326.371 4.164 0 1 EIAF CN1CCN(c2ccc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3c2)CC1 587969392 OQKPGMKZMLBLCC-HZPDHXFCSA-N 340.515 4.245 0 1 EIAF COc1ccc2c(c1)C1(C=COC=C1)N(Cc1ccc(F)cc1)CC2 963304687 ULXCDWNKESWOJX-UHFFFAOYSA-N 337.394 4.146 0 1 EIAF O=C(CCCc1ccccc1)O[C@@H](Cn1ccnc1)c1ccccc1 1772614485 DNQUQOXPMDDJIS-FQEVSTJZSA-N 334.419 4.191 0 1 EIAF CC(C)c1ccc(-c2cc(CN3CCC[C@@H](O)C3)nn2C(C)C)cc1 1857569168 KNBCNHLQEZPUMM-HXUWFJFHSA-N 341.499 4.211 0 1 EIAF COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356428970 DZNQMARSUVZEMD-RJOVDCOGSA-N 334.500 4.181 0 1 EIAF C[C@H](O)CCCC=CC[C@H](O)C=CC=CCC=CCCCC(=O)O 2356432091 PEFWBBUDWGQYCT-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]13CCCC(C)(C)[C@@H]1C[C@H](O)O[C@@H]3O2 2356490382 GJHSJLKEFAMHFY-HLNWXESRSA-N 332.440 4.037 0 1 EIAF CC1=C[C@H](CNc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356577553 HOOVOIKKLPLEMQ-KSZLIROESA-N 340.471 4.282 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@H]1C 2356675166 JMPCBBCNNVGUKM-KMTJZVEASA-N 330.424 4.028 0 1 EIAF COC(=O)c1cc2c3c(c(OC)cc2o1)CC[C@@H](c1ccccc1)O3 2356705064 SIYMKVZBLRBGSX-HNNXBMFYSA-N 338.359 4.294 0 1 EIAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@@]1[C@@H](C)c1ccccc1 2356760649 BLLGOPLLCDRJQD-ZMUIFXNKSA-N 329.484 4.436 0 1 EIAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 767773 COOIPXQHCJBQEW-TZIWHRDSSA-N 344.414 4.020 0 1 EIAF CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1 13471423 SDGBWVJSVFKSFY-UHFFFAOYSA-N 339.479 4.126 0 1 EIAF O=c1c(-c2cccc(OCC3CC3)c2)c(O)[nH]c2cc(Cl)ccc12 13775720 VVAMSCKYBZUNOB-UHFFFAOYSA-N 341.794 4.343 0 1 EIAF CC(C)C(=O)c1c(O)cc2c(c1O)C[C@@H]1C(C)(C)CCC[C@@]1(C)O2 14514176 CDSIDDNDJFYVNH-FOIQADDNSA-N 332.440 4.456 0 1 EIAF biogenic CC(C)C[C@@H]1CN2C(=NC[C@@H]2C)N1[C@@H](C)C12CC3CC(CC(C3)C1)C2 27211229 FMTWNDZOVDJRKQ-OPSXNQSESA-N 343.559 4.382 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12 28003516 ANBSDISLLOPZAN-HMGBVJPOSA-N 333.516 4.257 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C\Cl)[C@@H]1CC[C@@H]2O 28568739 PHKKCWVLOCDAJQ-JWRNDFLKSA-N 336.903 4.404 0 1 EIAF CCCC[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 39220270 KWSJYOSXSHNMHH-QMMMGPOBSA-N 331.195 4.002 0 1 EIAF CC[C@]12CCCn3c(COC)cc(c31)-c1ccccc1NC(=O)CC2 42965292 FGHROJSHRIKSBW-OAQYLSRUSA-N 338.451 4.475 0 1 EIAF biogenic Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)cc(C)nc23)cc1 66148384 MUFXADBLCQQICZ-UHFFFAOYSA-N 342.402 4.265 0 1 EIAF CN(C)CC(C)(C)CNCc1coc(-c2ccc(C(C)(C)C)cc2)n1 72183025 VEEOICYHHNQPTI-UHFFFAOYSA-N 343.515 4.317 0 1 EIAF COc1ccccc1CCNc1cncc(Oc2ccccc2F)n1 82068484 OKPLYJYIZREESD-UHFFFAOYSA-N 339.370 4.071 0 1 EIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 103639386 YLLZJWOMUFAOPI-VZCCSQPZSA-N 349.390 4.156 0 1 EIAF CC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccccc3)cc2)cc1 169351985 HDSJNPMZTXALAD-UHFFFAOYSA-N 343.426 4.415 0 1 EIAF COc1ccc(C2=C(C)[C@H](C)Cc3cc4c(cc32)OCO4)cc1OC 238771655 IIJAVQSUNJGRAT-GFCCVEGCSA-N 338.403 4.447 0 1 EIAF CCCN1CCN(CCC)[C@H]2c3c(C)c4ccccc4n3CC[C@H]21 253641643 RFFFXCJAXQLALO-TZIWHRDSSA-N 325.500 4.201 0 1 EIAF Fc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006572 HWSUQEUQQFCNPV-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF Fc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012934 OHURAONRAQXONN-UHFFFAOYSA-N 338.205 4.465 0 1 EIAF CC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029562 QCYWRKZXTDCELN-UHFFFAOYSA-N 349.415 4.468 0 1 EIAF CCOC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037856 ZPUAHVRILHWARU-HNNXBMFYSA-N 344.461 4.180 0 1 EIAF Cc1nccc2[nH]c(COc3ccccc3C3SCCS3)nc12 587039062 BTSBNJCYCCXKRX-UHFFFAOYSA-N 343.477 4.324 0 1 EIAF C[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F 587098741 UKWOJASNDUWMRT-SECBINFHSA-N 334.297 4.432 0 1 EIAF COc1nccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114891 YQVGVIBYZKEXIV-JTQLQIEISA-N 335.329 4.332 0 1 EIAF CC(=O)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587133708 AHLRDELTFSZUSY-UHFFFAOYSA-N 340.301 4.278 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccc(Cl)cc13)O2 587378867 DZUYUXUGPPUGEE-QGZVFWFLSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccc(F)cc3s1)O2 587386430 YGLSYRAQYYOVBW-CQSZACIVSA-N 328.368 4.033 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-n3nc(C)cc3C)c1)O2 587389411 ASBYLJHHEWDKKL-FQEVSTJZSA-N 347.418 4.086 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc4cccc(F)c4o1)[C@@H](C2)C3=O 587427898 LGAHEYSAZNWVFU-RBZFPXEDSA-N 338.334 4.243 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccs1)[C@@H](C2)C3=O 587448803 CPULJURLCCZLSX-KKSFZXQISA-N 348.423 4.448 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1C)CC2=O 587489449 NOJLEINQIGKROC-SFHVURJKSA-N 340.375 4.058 0 1 EIAF CC(C)SC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587842637 VFZJABILWUFKPR-OTYXRUKQSA-N 332.282 4.305 0 1 EIAF NC(=S)c1cccc(-c2nc(-c3ccc(F)c(F)c3)cs2)c1 587922746 ZKVGOUKOLNIKTN-UHFFFAOYSA-N 332.400 4.390 0 1 EIAF CC(C)(C)c1ccc(C2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 653890267 JMDJDJZHWFGKNO-LLBVYWAGSA-N 349.474 4.230 0 1 EIAF CC(C)c1c(O)ccc2c1[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356495129 GMSLFNUEEZTQCO-QBTDHISASA-N 332.440 4.101 0 1 EIAF Cc1c([C@H](C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccccc1 12588205 MAXKQXTVXCBBFU-ZDUSSCGKSA-N 341.842 4.391 0 1 EIAF COC(=O)C[C@H]1Oc2ccc(C)cc2-n2cc(-c3ccc(C)cc3)nc21 13828535 UDYIXFRKKSKONY-LJQANCHMSA-N 348.402 4.153 0 1 EIAF COc1ccccc1Nc1ncnc2onc(-c3ccc(F)cc3)c12 20329518 VPZHYCLJEYXGBH-UHFFFAOYSA-N 336.326 4.176 0 1 EIAF NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2SCC1 27642039 PSDGROBAPRJBMD-UHFFFAOYSA-N 342.420 4.128 0 1 EIAF CN1CCC[C@@]12CCCC[C@@H]2NC(=O)c1ccc(Cl)c(Cl)c1 28257651 CWQFCYGEJDNLMH-DOTOQJQBSA-N 341.282 4.130 0 1 EIAF C[C@H](Nc1ccnc(NCCOc2ccccc2)n1)c1ccccc1 28369834 RNCAWXKBONBBBI-INIZCTEOSA-N 334.423 4.141 0 1 EIAF C[C@H]1CCCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)C1 29331157 FJUGEZQGFZIEGC-ZDUSSCGKSA-N 328.843 4.390 0 1 EIAF CCOC(=O)/C(=C/N1CCCc2ccccc21)c1ccc(OC)cc1 40421983 DUEGAKJPWMLZGB-XDJHFCHBSA-N 337.419 4.052 0 1 EIAF CCOc1nc(-c2ccccc2)oc1C(=O)Oc1cncc(Cl)c1 40424340 MLJZVHFKKMNRSJ-UHFFFAOYSA-N 344.754 4.008 0 1 EIAF CC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1 40953813 ZOQDUFOUNDLFCC-UHFFFAOYSA-N 327.476 4.225 0 1 EIAF in-vivo COc1cc(CCc2cc(O)cc(OCC=C(C)C)c2)ccc1O 96910246 WXJZOYGQBXZYBS-UHFFFAOYSA-N 328.408 4.237 0 1 EIAF COc1cccc(-n2c(C)cn(C(=O)c3cccc(C)c3)c2=S)c1 98084025 ZGKKAVINAUJSEJ-UHFFFAOYSA-N 338.432 4.322 0 1 EIAF Clc1ccccc1[C@@H]1CCN(c2ccc3c(c2)CCNCC3)C1 169347280 QYLJQCRJYVHNQO-QGZVFWFLSA-N 326.871 4.022 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@H](c2ccccc2F)C1 169704924 MNXPYZUSFURMKS-QWHCGFSZSA-N 338.386 4.160 0 1 EIAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1N2C 261131625 LFJPCUHETVUFNZ-NTDBWNAOSA-N 341.476 4.154 0 1 EIAF O=C(CCc1cccnc1)Nc1cncc(-c2cccc3[nH]ccc23)c1 299851358 FOFMFZYJDJWDDZ-UHFFFAOYSA-N 342.402 4.196 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(C)c2[nH]1 586916640 NAEJIJYZSPRFOA-IIBYNOLFSA-N 334.419 4.396 0 1 EIAF Cc1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2cc1Br 587080129 RSOXJUOTBOOSLD-QMMMGPOBSA-N 339.624 4.093 0 1 EIAF COc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116068 MHSQZTMNMJDMCU-UHFFFAOYSA-N 344.296 4.201 0 1 EIAF CCOc1cc(/C=C\c2nc3ccc(O)cc3[nH]2)ccc1OC(F)F 587130924 QTUWSBJNXCTAPK-YWEYNIOJSA-N 346.333 4.439 0 1 EIAF CC(=O)c1ccc(-c2cc(-c3nc4cc(=N)[nH]cc4[nH]3)ccc2F)cc1 587139460 KGRBBVQUECMUNK-UHFFFAOYSA-N 346.365 4.046 0 1 EIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnccc3[nH]2)c1 587159392 OJNQQTGQAPJUGZ-UHFFFAOYSA-N 329.338 4.103 0 1 EIAF O=NCc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587191302 XXSRTKDBFDJLOE-UHFFFAOYSA-N 334.148 4.398 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccncc1)O2 587396074 WPRNTTIBAMLPFZ-QFIPXVFZSA-N 344.414 4.076 0 1 EIAF CCCc1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399095 IOZCTQGIZGLRFD-IBGZPJMESA-N 325.408 4.245 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)c(C)c1)[C@@H](C2)C3=O 587445347 VMKKMTWRENTTBI-JTSKRJEESA-N 349.430 4.093 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(CC)nn(C)c1Cl)CC2=O 587460899 KYYQHCLVAGIXRV-HNNXBMFYSA-N 348.830 4.001 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(F)cc1F)CC2=O 587467899 VFWLXTLDIBUYEM-KRWDZBQOSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc[nH]c1C(C)(C)C)CC2=O 587487832 XCPZUIPHWQNCSQ-OAHLLOKOSA-N 328.412 4.072 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C3CC3)s1)CC2=O 587497636 XOHQKKXYGKZQQN-OAHLLOKOSA-N 329.421 4.385 0 1 EIAF Cn1cnc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587515350 KYVTVXIFJHZWLX-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF Cc1cccc(OCc2nc3c(C)c(Br)cnc3[nH]2)c1C 587564437 RHYIBHYYOSWPSR-UHFFFAOYSA-N 346.228 4.225 0 1 EIAF Cc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774735 XFKXVTZBBBYEOZ-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CCCC[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797425 WWQDCWOSNSYXLL-ZBEGNZNMSA-N 344.268 4.154 0 1 EIAF CSCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587847178 SFBGCPLCAKTYEE-OTYXRUKQSA-N 332.282 4.091 0 1 EIAF Cc1c(Br)cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1C 587962035 HTHIPGBFYLSMSK-MNOVXSKESA-N 335.245 4.100 0 1 EIAF O=C(c1ccc(-c2ccc(O)cc2)s1)c1c(F)ccc(O)c1F 1772632761 HDNHNXBACWULOX-UHFFFAOYSA-N 332.327 4.336 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@H](C)[C@@H]2CC[C@@H]34)C1 2356418674 RSFPISDAJMWREU-WJOMTXEISA-N 343.511 4.079 0 1 EIAF CCC(=O)CCCC=Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC 2356478506 GYOMIJITDLAXLJ-CYBMUJFWSA-N 334.412 4.216 0 1 EIAF CCc1c(O)cc(-c2cccs2)n(-c2ccc(Cl)cc2)c1=O 5431716 NQOOTQDJHBCAFO-UHFFFAOYSA-N 331.824 4.487 0 3 EIAF aggregator CCCCCCN(C)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 2499668 FUAUUAHEKMUELW-UHFFFAOYSA-N 336.439 4.002 0 1 EIAF COc1ccccc1N1CCN(CC/C=C/c2ccc(F)cc2)CC1 13760897 RZIVFBRAKJMQQL-GQCTYLIASA-N 340.442 4.060 0 1 EIAF C[C@](O)(C(=O)Nc1ccc(Sc2ccccc2)cc1)C(F)(F)F 27865653 OEPSLMLIMODFNR-HNNXBMFYSA-N 341.354 4.090 0 1 EIAF COc1ccc(Cc2ccc(OCCN3CCCCC3)cc2)cc1 28709281 SUHXBPVEBBIEMB-UHFFFAOYSA-N 325.452 4.151 0 1 EIAF COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)cc1O 35949727 XFEICBDAXKWVBZ-ZIAGYGMSSA-N 330.424 4.172 0 1 EIAF biogenic COC(=O)c1c(Nc2cccc(Br)c2)[nH]c2ccccc12 40829647 AYBCOOIQFMXKKB-UHFFFAOYSA-N 345.196 4.461 0 1 EIAF COc1ccc2[nH]c([C@@H]3CCN(Cc4c[nH]c5ccccc45)C3)nc2c1 51048300 HXSMLQLGFTUNJW-CQSZACIVSA-N 346.434 4.042 0 1 EIAF biogenic O=C(c1nc(-c2ccc(Cl)cc2)c2ccccc2n1)N1CCCC1 84690723 TZHFZITWBDWKTQ-UHFFFAOYSA-N 337.810 4.186 0 1 EIAF CCNC[C@H]1C[C@@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 101437235 MESUMNNLNBOPTM-IYOUNJFTSA-N 329.875 4.103 0 1 EIAF CC(C)=CCC[C@@H]1C(=O)O[C@H]2OC(=O)/C3=C/C/C=C(\C)CC[C@H]1[C@H]32 140488633 MPYOEPDDVGSUJR-ZJQBOWPCSA-N 330.424 4.078 0 1 EIAF CC(=O)[C@H]1[C@@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 169324256 YUEVEZWXYBGVTF-COOMCJGWSA-N 345.527 4.301 0 1 EIAF CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1 169347452 JTAYXEIAILELHC-SFHVURJKSA-N 345.406 4.011 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[C@H]1CCN1 253688722 KDUCRLNKTPIPLA-RCZXYKHUSA-N 329.528 4.288 0 1 EIAF Nc1ccc(-c2ccc3nc([C@H]4CCCC(=O)CC4)[nH]c3c2)cc1N 586889014 ZWLVUFOZCNLAFO-LBPRGKRZSA-N 334.423 4.011 0 1 EIAF Fc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F 586979502 NYPVNHVTYLQLOS-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Fc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586994755 AYCLZJURXGRGAR-UHFFFAOYSA-N 334.192 4.119 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587038740 LQTXIHYMNRDERC-UHFFFAOYSA-N 345.428 4.045 0 1 EIAF Cc1onc(-c2nc3ncccc3[nH]2)c1COc1ccccc1Cl 587063420 NAOVBSQGIDRBGJ-UHFFFAOYSA-N 340.770 4.154 0 1 EIAF C[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F 587097432 HLVAOQHNFNJAFI-VFZGTOFNSA-N 348.328 4.457 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587175827 IHTISEUOEYIOCP-UHFFFAOYSA-N 345.683 4.240 0 1 EIAF Nc1c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cnc2c(F)cccc12 587176937 WKNIAARODHRKNF-UHFFFAOYSA-N 348.715 4.431 0 1 EIAF O=C(/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccccc1 587245299 VIJUFPIZGCQOTL-HJWRWDBZSA-N 331.297 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(F)cc3[nH]1)CC2=O 587472633 SNSHAIYXKMMVJW-QGZVFWFLSA-N 340.354 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CCC)C(=O)OCC)CC2=O 587478405 FXSHSQTVNBCQLV-QRWLVFNGSA-N 348.439 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cnccc13)CC2=O 587486967 UZEMLOMHMUTVQR-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587953015 YZBPTCVBRZIOEV-NHCYSSNCSA-N 342.365 4.370 0 1 EIAF CCC[C@H](C)OC(=O)C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963125073 SAXFEUKSUCNJHI-GTNSWQLSSA-N 344.282 4.476 0 1 EIAF S=C(NCCc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2 1857638535 VCQUNDGBEQVFEH-UHFFFAOYSA-N 342.552 4.300 0 1 EIAF O=C(NCCc1ccccc1)c1cccc2c(-c3cccnc3)coc12 61898107 FIVGDVHDXOCRFR-UHFFFAOYSA-N 342.398 4.467 0 3 EIAF COc1cccc([C@H](N)c2nc(-c3cc(F)cc(F)c3)cs2)c1 61898845 QUXUPXIFSYMTEQ-INIZCTEOSA-N 332.375 4.145 0 3 EIAF COCc1cccc(-c2csc([C@H](O)c3ccc(OC)cc3)n2)c1 61904422 WAIXRUDLTIWWGG-GOSISDBHSA-N 341.432 4.047 0 3 EIAF CCN(CC)CC/C=C1\c2cc(OC)ccc2OCc2ncccc21 26838639 DPWLUNLBMGELMR-MFOYZWKCSA-N 338.451 4.146 0 1 EIAF S=C(Nc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 28707065 ZSRTUHRKYMLNQA-HNNXBMFYSA-N 337.404 4.421 0 1 EIAF CCCCC[C@]12Cc3ccccc3[C@H](O1)c1c(cc(C)oc1=O)O2 36379220 DJWRZSJTINIVTL-AZUAARDMSA-N 326.392 4.279 0 1 EIAF CC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1 40955674 QMBPHWNPINSFTF-UHFFFAOYSA-N 328.456 4.331 0 1 EIAF CCCCNc1c(C(=O)OCC)c(C)nc2c1[nH]c1ccccc12 45319713 ZNXYSGZNDHTVNO-UHFFFAOYSA-N 325.412 4.413 0 1 EIAF COc1cc(-c2cnn(Cc3ccccc3)c2)ccc1-n1cnc(C)c1 72113348 KRETZLLAXYHJGW-UHFFFAOYSA-N 344.418 4.101 0 1 EIAF Cc1ccc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(N)ncc2c1 169700149 GAHNALQRGMIGFZ-UHFFFAOYSA-N 345.446 4.465 0 1 EIAF Nc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)ccc12 197820871 XSWMGBMLGTUQFU-UHFFFAOYSA-N 346.415 4.193 0 1 EIAF c1ccc(CN=c2nc(OCc3ccccc3)c3ccccc3[nH]2)cc1 473096861 AXJNGKTTYPCPGJ-UHFFFAOYSA-N 341.414 4.243 0 1 EIAF CC(C)CC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992696 XYORKEJIWHLHIG-UHFFFAOYSA-N 345.398 4.310 0 1 EIAF CC(C)Oc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016377 KULHOTHRPVHGMS-HNNXBMFYSA-N 329.425 4.325 0 1 EIAF Clc1cccc(COc2ccc(-c3nc4ncncc4[nH]3)cc2)c1 587068849 ARJRHVVBRWYJJZ-UHFFFAOYSA-N 336.782 4.252 0 1 EIAF COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F 587134604 NUTDJWBJKJAQRE-UHFFFAOYSA-N 346.280 4.223 0 1 EIAF Nc1c(-c2nc3cc(Br)ncc3[nH]2)ccc2ccccc12 587253963 IJWPVZJGBBJTHP-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCCSC2)[C@@H]1c1ccc(F)cc1 587370367 APYHCJHKYLTVLJ-MJGOQNOKSA-N 344.407 4.156 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1CCCCCC1)O2 587400645 QYRLUTWPFHTDJK-CTNGQTDRSA-N 342.483 4.100 0 1 EIAF COc1ccc2c(c1)C(C)(C)C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587403603 PANAJWPJLXQGBY-NRFANRHFSA-N 337.419 4.128 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(C)cc31)CC2=O 587486413 KXEMTINUZHWTJB-NRFANRHFSA-N 338.403 4.296 0 1 EIAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529236 LYIKOBVJOHFEHZ-UPOGBMBOSA-N 340.463 4.086 0 1 EIAF CCn1cc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)c(C)n1 587633951 PYJJOZHJUJHOJJ-UHFFFAOYSA-N 339.292 4.244 0 1 EIAF CCCC[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797422 WWQDCWOSNSYXLL-BZNIZROVSA-N 344.268 4.154 0 1 EIAF CC[C@@]1(c2ccc3c(c2)OCO3)c2c(F)cccc2C[C@@H]2CCCN21 963118219 ZAXJYBXPCUCJPE-HRAATJIYSA-N 339.410 4.229 0 1 EIAF Cc1sc(-n2cccc2CNCc2ccccc2)c(C(=O)O)c1C 6750828 AKSGDGKTTSXVAG-UHFFFAOYSA-N 340.448 4.144 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1CCN1 13835186 KDUCRLNKTPIPLA-CLPXVCJBSA-N 329.528 4.288 0 1 EIAF c1ccc2c3c([nH]c2c1)[C@@H]1[C@H]2CCCCN2[C@@H](c2ccncc2)N1CC3 19339313 OIROQHWNXZSXST-BAGYTPMASA-N 344.462 4.029 0 1 EIAF COc1cccc2c1ncc1c(CO)cn(-c3ccc(F)cc3C)c12 26718367 WCHZJRRNAUISQX-UHFFFAOYSA-N 336.366 4.127 0 1 EIAF CCCC[C@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@@H]1N 28821804 PREGFYVMCPMPHS-LRDDRELGSA-N 330.394 4.058 0 1 EIAF COc1cccc(-c2nc3n(c2-c2cccc(OC)c2)CCS3)c1 40504598 KFGUNAKQWJDORT-UHFFFAOYSA-N 338.432 4.340 0 1 EIAF COc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1OC 45188749 MXWHNRXHBNXEFT-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF CC(C)(C)CNc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1 64559127 XKOVMYXTXSURCO-UHFFFAOYSA-N 325.387 4.187 0 1 EIAF CN(CCCNCc1coc(-c2cccc(F)c2)n1)c1ccccc1 72103262 UJFXHXPVGOZTEG-UHFFFAOYSA-N 339.414 4.097 0 1 EIAF Cc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc1 72119631 UGCUAWYDXLNPQE-UHFFFAOYSA-N 344.208 4.138 0 1 EIAF CCOc1ccccc1CNCc1coc(-c2ccc(OC)cc2)n1 72182015 UEJIGWYYPCQLQA-UHFFFAOYSA-N 338.407 4.039 0 1 EIAF CCNC(=O)Nc1nc2ccc(-c3ccccc3OC)cc2s1 95601219 LGPZTQXZPZVKSU-UHFFFAOYSA-N 327.409 4.113 0 1 EIAF CC[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 102915142 GTQKXNGZWXCFBI-AZOIQLNYSA-N 344.414 4.338 0 1 EIAF CC[C@H]1O[C@@H]2c3ccsc3CO[C@@H]2[C@H]1OCc1ccccc1C 103282016 MPAVYFCVNUMASQ-YSHGAJCASA-N 330.449 4.391 0 1 EIAF CC1=NC(=O)N[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)OC(C)(C)C 169693316 YMSLXGUMJSQSLR-SJORKVTESA-N 338.407 4.023 0 1 EIAF Cc1ccc(Cl)cc1Nc1nccc([C@H]2C=NN3C=CC=C[C@@H]23)n1 169720367 VKFGTQLGVBXMLC-PBHICJAKSA-N 337.814 4.019 0 1 EIAF CCCCc1cc(C2=NO[C@H](C(=O)Oc3ccccc3)C2)c(Cl)[nH]1 169729450 IAIGOSNVFOMWEZ-INIZCTEOSA-N 346.814 4.109 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586885412 BJMJLFINKUBSED-XPTSAGLGSA-N 336.222 4.410 0 1 EIAF Oc1ccc(C2(c3nc4cccc(Br)c4[nH]3)CC2)cc1 586896728 WGAZZCATAZIULZ-UHFFFAOYSA-N 329.197 4.111 0 1 EIAF c1ccc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018554 HCDSFLTYFQPPMX-UHFFFAOYSA-N 349.415 4.048 0 1 EIAF c1ccc(Cc2ncc(-c3nc4cc5c(cc4[nH]3)OCO5)s2)cc1 587020894 CIOIMWAUWOCLCS-UHFFFAOYSA-N 335.388 4.006 0 1 EIAF Clc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 587029253 LZONOFJYWDBYSJ-UHFFFAOYSA-N 342.811 4.314 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4C)-c1ccccc1C2=O 587100645 NGJIATWEMAUYPT-LBPRGKRZSA-N 327.383 4.373 0 1 EIAF Cc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Cl 587127052 QOLREBGSKOMTCL-UHFFFAOYSA-N 332.753 4.465 0 1 EIAF Fc1cc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc(F)c1F 587138275 FEVWBDVPTYXJRP-UHFFFAOYSA-N 346.139 4.467 0 1 EIAF Nc1ccc(F)c(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587140571 CUWJREQYQUENLA-UHFFFAOYSA-N 347.393 4.454 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(Cl)cc31)O2 587379921 NDJUSTZGPANDEB-LJQANCHMSA-N 327.811 4.428 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)(C(F)F)O2 587381230 DEMGQAWEKLYLEL-IBGZPJMESA-N 331.362 4.179 0 1 EIAF CCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400125 NWXZXVRAEWLJPA-HXUWFJFHSA-N 325.408 4.247 0 1 EIAF CCCC[C@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437195 XKHKBXMFQXGOLJ-IERDGZPVSA-N 337.419 4.232 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1OC)CC2=O 587467226 PEODOGDMUNFASZ-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CN(C)C)cc1)CC2=O 587468133 IBKLXGCISCKNDU-HXUWFJFHSA-N 339.435 4.113 0 1 EIAF CCn1cc(Cl)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587501214 RITIBTGQTHWYPK-LJQANCHMSA-N 344.842 4.316 0 1 EIAF Cc1cc(C(=O)O)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532367 PUTDIILPYBLIHT-OAHLLOKOSA-N 342.416 4.340 0 1 EIAF COC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587812887 SIGLPSMDBMDABL-ZUZCIYMTSA-N 342.252 4.123 0 1 EIAF Cc1c(F)ccc2c1[C@@]1(CCCC[C@H]1N1CCCCCC1)NCC2 962299580 OPMYNPFAZOBBRA-CTNGQTDRSA-N 330.491 4.294 0 1 EIAF CC(C)[C@@H]1C[C@@]2(CCO1)c1ccsc1CCN2Cc1cccnc1 962990853 BYWPPBLSWRHYLN-ICSRJNTNSA-N 342.508 4.232 0 1 EIAF Cc1cnc([C@@H](CC(=O)O)c2cc(F)cc(-c3cccnc3)c2)s1 1772653110 CNNAMCRDLNRTNU-INIZCTEOSA-N 342.395 4.259 0 1 EIAF Cn1nc(-c2cc3ccccc3[nH]2)cc1[C@H]1COC2(CCCCC2)O1 1857534688 MNMZDJXSNIOGJD-LJQANCHMSA-N 337.423 4.317 0 1 EIAF Oc1nc(-c2[nH]c3ccccc3c2Br)nc2ccccc12 1857745917 KIWVNBATCHEXLY-UHFFFAOYSA-N 340.180 4.246 0 1 EIAF COc1ccc([C@](C)(O)c2nc(-c3ccccc3C)cs2)cc1 61905084 CMPDPYFEINEAJG-IBGZPJMESA-N 325.433 4.383 0 3 EIAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cccc(F)c2)cs1 61906883 IQBXZKDUFKYVEM-KRWDZBQOSA-N 344.386 4.314 0 3 EIAF O=C(O)c1ccc2c(c1)nc(C(=O)c1ccccc1)n2C1CCCCC1 3626280 WOILRKOBFRPLGV-UHFFFAOYSA-N 348.402 4.471 0 1 EIAF CCCc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1 13492151 YOWWWNNHHUERIG-UHFFFAOYSA-N 345.402 4.199 0 1 EIAF c1ccc(-c2nnc3sc(CN4CCc5ccccc5C4)cn23)cc1 21348544 WUJMRQKCPMZNOK-UHFFFAOYSA-N 346.459 4.016 0 1 EIAF O=c1c(-c2ccsc2)cc(-c2ccccn2)cn1-c1cccnc1 34042362 XLOBLKSBINMEPZ-UHFFFAOYSA-N 331.400 4.023 0 1 EIAF CCCN1CCC[C@@H](COc2nc3ccsc3n3cccc23)C1 40893229 UMXQETCBUUJJNG-CQSZACIVSA-N 329.469 4.050 0 1 EIAF Cc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1 49036419 DRCGISNROPABOH-UHFFFAOYSA-N 342.870 4.045 0 1 EIAF CN1CCC(c2c[nH]c3ccc(NC(=N)c4ccccc4)cc23)CC1 73273401 KFWCDBVDGXETMV-UHFFFAOYSA-N 332.451 4.415 0 1 EIAF CNc1nc2sc(-c3ccc(SC)cc3)nc2c2c1ncn2C 96258291 DHPIZNAVFVWFSV-UHFFFAOYSA-N 341.465 4.009 0 1 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]12 100780658 YQNLDLVKFNZFTI-PJBSWFGBSA-N 332.440 4.105 0 1 EIAF endogenous,in-man CN1Cc2cc(-c3cccnn3)ccc2[C@@H](c2cc3ccccc3o2)C1 165132969 UBPCUEVRWJIHLS-IBGZPJMESA-N 341.414 4.467 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@H]53)[C@@H]41 169290663 NVLJYIBBEXBONT-UXYNBKIMSA-N 340.555 4.005 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCCO1 169310458 OHOUPBLLXCZHSW-LHWNCXSESA-N 331.500 4.057 0 1 EIAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)c(F)c12 205351903 VPUNMIRZXILGLE-UHFFFAOYSA-N 343.329 4.183 0 1 EIAF CCC(=O)[C@H]1C(=O)CC[C@H](c2cccc(Oc3ccccc3)c2)C1=O 231261378 PEPODUYJUFJZLV-XLIONFOSSA-N 336.387 4.090 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2c1 586900969 FSHIMSKHBIFDDP-DOMZBBRYSA-N 343.224 4.203 0 1 EIAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587024089 VBZABAOGPCFMTL-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF O=C(c1nc2cc(F)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133559 SFIDKNUWTYNJRH-UHFFFAOYSA-N 327.117 4.379 0 1 EIAF O=C(/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587167543 UTMRCTGZHGFDPV-BQYQJAHWSA-N 349.287 4.373 0 1 EIAF Nc1ccc2oc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2c1 587252042 RCFHKSVHVPLBCF-UHFFFAOYSA-N 344.168 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1-c1ccc(F)cc1)O2 587384707 NKFQQZAKCAFGDL-LJQANCHMSA-N 348.377 4.485 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)ccc(F)c31)CC2=O 587471957 NGYMPLDXQGNOAZ-FQEVSTJZSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(COC)c1)CC2=O 587476354 CBVUUNRICGQUHW-IBGZPJMESA-N 326.392 4.198 0 1 EIAF O=C1C[C@H](c2ncc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587504089 MJYBJJGEQOQCLZ-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF O=C1C[C@H](c2ccc(-n3cccn3)cc2)Oc2c1ccc1c2CCCC1 587517481 OAWXKLHAUIVZPC-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF CCC[C@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521031 HSKUHKNVCBPRKH-LHSJRXKWSA-N 344.451 4.411 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccco2)N1 587828224 MYGOOQWHQQEUML-RDEVZBOISA-N 336.204 4.470 0 1 EIAF COc1cccc(/C=C/c2cn(/C=C/c3cccc(OC)c3)nn2)c1 653811112 MFMRZTRSNHYQAE-HULFFUFUSA-N 333.391 4.094 0 1 EIAF Cc1cc(=O)c2c(o1)O[C@]1(C)[C@H](CC[C@@H]3C(C)(C)C(=O)CC[C@@]31C)C2 2356632347 KSPJPGGJDQMWRK-DWIRZFKOSA-N 344.451 4.063 0 1 EIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)cc1C(=O)CC2 1654596 VWQSIMWTAVJGIO-UHFFFAOYSA-N 344.432 4.230 0 1 EIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@H](C)[C@@H](C)C2 14726806 HGBHJZOMIICOBK-QRQYBIJMSA-N 342.435 4.378 0 1 EIAF biogenic O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1ccccc1Cl 40423162 AFEIVIYLCPBBNV-MRXNPFEDSA-N 336.774 4.454 0 1 EIAF C[C@H]1CN(C(=S)NC2CCCCCCC2)N=C1c1ccccc1 40861389 DRQSVNBGQQNYBK-HNNXBMFYSA-N 329.513 4.330 0 1 EIAF Cc1cc(NCC(=O)Nc2ccccc2Cl)c2ccccc2n1 45366898 HXYPOKRROXTFTD-UHFFFAOYSA-N 325.799 4.247 0 1 EIAF COc1c(C/C=C(\C)CCC(=O)O)cc(-c2cnco2)c(OC)c1C 45497363 UVEAFVBGYJCHRB-LFYBBSHMSA-N 345.395 4.021 0 1 EIAF CCOc1ccccc1CNc1cc(-c2cccc(C(C)=O)c2)ncn1 82162333 SEWFYHBGDCWVQG-UHFFFAOYSA-N 347.418 4.357 0 1 EIAF CCN1CCN(C2=Nc3ccc(C)cc3CC=C2c2ccccc2)CC1 101761892 KUIRSDFXZLUTMJ-UHFFFAOYSA-N 345.490 4.302 0 1 EIAF CC(/C=C/c1oc(=O)c2c(c1C)O[C@@H](C)C2(C)C)=C\c1ccc[nH]1 142317515 MBCKESWYYQOLQM-JITZOZAKSA-N 325.408 4.452 0 1 EIAF CC1(C)[C@@H]2C[C@@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 299816023 OQEQNRBNOUUEML-WBOJAVRRSA-N 348.903 4.187 0 1 EIAF O=S1(=O)C=Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2O1 299866104 OJUIXQIMWKZGGJ-UHFFFAOYSA-N 326.295 4.065 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 586882114 KEPODYOYSCRNQB-UHFFFAOYSA-N 343.386 4.040 0 1 EIAF N[C@H](c1ccsc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587026041 TZKKEUUNBLPCGE-SNVBAGLBSA-N 342.649 4.088 0 1 EIAF Oc1nc2cc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3cc2[nH]1 587175108 QBNMIQRRKKRJAC-UHFFFAOYSA-N 341.733 4.086 0 1 EIAF CC(C)Oc1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c1 587176944 WTBQTLXATAFGAT-UHFFFAOYSA-N 336.370 4.287 0 1 EIAF Fc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1Br 587177558 MUDBJTCDWQBTNB-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF COc1cncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196436 SRTGOMOACYRUDH-UHFFFAOYSA-N 344.418 4.173 0 1 EIAF CCOc1ccc(CC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401721 XFECYTLOMPAOOF-IBGZPJMESA-N 325.408 4.245 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccc(F)c1F)CC2=O 587467981 VNZCBYGDKXDPTB-INIZCTEOSA-N 348.345 4.338 0 1 EIAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 587561932 WTCJWFBGKIMFGV-UXGAIALJSA-N 325.412 4.078 0 1 EIAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586482 ILJLDMHVFIBASQ-RXVVDRJESA-N 347.370 4.053 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1Cc1ccc(Cl)cc1Cl 587651199 NEVAGUGMBLOSKD-UHFFFAOYSA-N 339.609 4.405 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)C 587864865 RJVYFMNOXWADJJ-UHFFFAOYSA-N 326.318 4.264 0 1 EIAF COc1ccc(Cl)cc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873525 CRIPYPYAHIDDMY-UHFFFAOYSA-N 344.729 4.145 0 1 EIAF O=C(CCc1ccccc1)c1nc2cc(OC(F)(F)F)ccc2[nH]1 587953476 KWKZIWGSZCFYEG-UHFFFAOYSA-N 334.297 4.277 0 1 EIAF Oc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1F 962709145 NHUZUQDXUUYWJB-ORAYPTAESA-N 347.430 4.123 0 1 EIAF CN(c1ccccc1)c1ccc(O)c(C(=O)N2Cc3ccccc3C2)c1 1857747708 NTOMMGWZEZPHSO-UHFFFAOYSA-N 344.414 4.316 0 1 EIAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356814683 CKKJGXQKGZQBSF-UXLLHSPISA-N 344.430 4.265 0 1 EIAF Cc1cccc(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)c1C 13684663 MAILCUQIIANVIO-LJQANCHMSA-N 344.886 4.380 0 1 EIAF CCOC(=O)c1ccc(OCCCCC(=O)c2ccc(C)o2)cc1 27648719 SNODIIYFOANIQX-UHFFFAOYSA-N 330.380 4.197 0 1 EIAF CC(C)CN1C(=O)CS[C@H]1c1cccnc1-c1ccc(F)cc1 28819686 RBSNRBGZLKFOQU-SFHVURJKSA-N 330.428 4.118 0 1 EIAF CC(C)(C)c1ccc2c(c1)C[C@H](NC(=O)Nc1cccc3[nH]ncc13)C2 28972911 JMWSQSYRBYDBND-MRXNPFEDSA-N 348.450 4.149 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@]13CC[C@H](OC1=O)C(C)(C)[C@@H]3CC2 36378663 IAORNSRROJRHFC-VFCRVFHLSA-N 344.451 4.070 0 1 EIAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)c(Cl)ccc21 39198791 OSSZNHLRWQUJNG-HNNXBMFYSA-N 328.195 4.127 0 1 EIAF CCCCN1CCN(CC)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 58501974 PNGLITRWIUZBTJ-CTNGQTDRSA-N 325.500 4.201 0 1 EIAF CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@H](N)C2 85543291 QGIOCPSTZPMMEK-ZAAOTPHGSA-N 343.511 4.416 0 1 EIAF biogenic,in-vitro Nc1oc2c(F)nccc2c1Nc1ccc(F)c(C(F)(F)F)c1 222827060 XTACCCUQCYYMSH-UHFFFAOYSA-N 329.228 4.451 0 1 EIAF Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCCC2)o1 224868586 VNIILJHKBSLKCO-UHFFFAOYSA-N 340.423 4.037 0 1 EIAF CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(Cl)c2)cc1 473109505 SMPHVYRQSMPMBE-KRWDZBQOSA-N 334.799 4.471 0 1 EIAF CC(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991105 IIXMWIQKWRPNHG-GFCCVEGCSA-N 343.382 4.161 0 1 EIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(N)c4[nH]3)c21 587031767 VBMHIJYFVVLUFG-NSHDSACASA-N 349.463 4.499 0 1 EIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccnc3[nH]2)cc1F 587150151 KVLUZOPVIDCMMB-QGZVFWFLSA-N 337.329 4.405 0 1 EIAF COc1cc2c3c(c1)O[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587423576 UUSKXXSDLRVDRS-DOMZBBRYSA-N 349.213 4.361 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(C)(C)C)CC2=O 587474100 BAPNYAZBLIAFHF-KRWDZBQOSA-N 342.439 4.082 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CC(C)=O)CC2=O 587476846 BNFKOIXEWWYHIB-VBKZILBWSA-N 330.424 4.218 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(C)n1)CC2=O 587489737 VXWAGSIJVNZVIU-HXUWFJFHSA-N 325.408 4.015 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)CCCC3)CC2=O 587494233 JNGUSRVEYXIJFG-MRXNPFEDSA-N 343.448 4.387 0 1 EIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587619785 ZFEDDHAWGVYHFP-PXNSSMCTSA-N 336.343 4.171 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587934746 FQEPXIOQOYMGCI-ZUOKHONESA-N 347.418 4.265 0 1 EIAF Sc1nc(S)c2nc(/C=C\c3cccc4ccccc34)[nH]c2n1 587969484 UGKBZNSZEJGDTN-HJWRWDBZSA-N 336.445 4.254 0 1 EIAF Cc1ccccc1NC(=S)Nc1sc2c(c1C(=O)O)CCCC2 653717930 YNMFOJLISBKYJE-UHFFFAOYSA-N 346.477 4.442 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CC(=O)C[C@@H](c3ccco3)C2)N1 962951574 IAEVCZQTRTXELV-DOQJBMMISA-N 348.446 4.417 0 1 EIAF Fc1cccc2c1NCC[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963111488 SCZMUDIRYKISQN-VBKZILBWSA-N 326.390 4.045 0 1 EIAF COc1ccc(-c2cc3c(=N[C@H](C)c4ccccc4)nc[nH]c3o2)cc1 1772577382 CNJOKJPWTYTGNS-CQSZACIVSA-N 345.402 4.493 0 1 EIAF O=[S@@](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1 1857581709 AXENRPOALXGSFW-JTSKRJEESA-N 331.437 4.321 0 1 EIAF O=C(O)c1ccc(-c2noc(-c3ccccc3C(F)(F)F)n2)cc1 12479968 OUSNVUHNJNKFDM-UHFFFAOYSA-N 334.253 4.121 0 3 EIAF COCCNc1nc(-c2ccc(Cl)cc2C)c2sccc2n1 61903568 QLUDOCCPOKBXNX-UHFFFAOYSA-N 333.844 4.378 0 3 EIAF CC(C)(C)c1cc(NC(=O)NCc2ccccc2)n(-c2ccccc2)n1 13474649 SLHFXBSSLHCOHI-UHFFFAOYSA-N 348.450 4.492 0 1 EIAF CN(C)CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 13758606 JTXLTPOVZSWTDS-UHFFFAOYSA-N 332.806 4.363 0 1 EIAF COc1cc(NC(=O)/C=C/c2ccc(C)cc2)ccc1-c1cnco1 13818697 SHPFUUGMPSTRPP-JXMROGBWSA-N 334.375 4.311 0 1 EIAF COc1c(O)cc2cc1Oc1ccc(cc1)CCCC[C@@H](O)C=C2 14589719 DLWPXKOURWULJE-MRXNPFEDSA-N 326.392 4.294 0 1 EIAF biogenic Cc1cccc(-c2nc(C(C)(C)C)cn2-c2ccc3c(c2)OCCO3)n1 43073859 ZDCCZNNMDUPDPF-UHFFFAOYSA-N 349.434 4.311 0 1 EIAF O=C(O)Cc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66156440 XIYKGWQFCNQFEA-UHFFFAOYSA-N 348.185 4.129 0 1 EIAF c1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1 72122790 MKKXAOFXDHLBSO-UHFFFAOYSA-N 334.463 4.183 0 1 EIAF CSc1nn(-c2cccc(F)c2)c2cc(C3=CCNCC3)ccc12 72179651 BHFXIDWQKHRXDC-UHFFFAOYSA-N 339.439 4.263 0 1 EIAF CC(C)(C)c1cc(N2C(=O)CS[C@H]2c2c(F)cccc2F)no1 73141740 MNZYJGZQRIVLGF-HNNXBMFYSA-N 338.379 4.029 0 1 EIAF N[C@@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 84615720 FZRDGJPHAFKQNC-NRFANRHFSA-N 345.442 4.213 0 1 EIAF Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl 95593302 PNEZFRDYVFBRLP-UHFFFAOYSA-N 345.855 4.079 0 1 EIAF Cc1nc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc2[nH]1 96169292 OHDDDRULDPYJAE-RXVVDRJESA-N 345.446 4.206 0 1 EIAF CN(C)C[C@H]1C[C@@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 101103173 YMCGWFAISRHARH-IYOUNJFTSA-N 329.875 4.055 0 1 EIAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1cccc(-c3cccs3)c1)O2 101501402 CCRLYNSHUUHLKL-HPFXQQBRSA-N 328.433 4.239 0 1 EIAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1ccccc1OC 103083254 NSLHHIOAGBEZAM-GOSISDBHSA-N 349.430 4.255 0 1 EIAF C[C@@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C 195345618 BVLMUEUIQIASQJ-KEPMVKOISA-N 326.362 4.296 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586883361 BIMGMTHXNDIXPC-DYVFJYSZSA-N 329.325 4.348 0 1 EIAF Oc1cccc([C@@H](O)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586891700 OWWDYYKVBJVWMV-LJQANCHMSA-N 332.359 4.143 0 1 EIAF Cc1ccc2c3c(cc(-c4ccncc4N)nc13)-c1ccccc1C2=O 587096934 FIHMOQGYYWPCMT-UHFFFAOYSA-N 337.382 4.399 0 1 EIAF COC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106497 HTFCVWHVEHOGPJ-MRXNPFEDSA-N 343.382 4.039 0 1 EIAF CCOC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587112293 HMULRFAHIWVYBA-UHFFFAOYSA-N 334.297 4.425 0 1 EIAF O=C(O)c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1F 587131491 KLYCRRCRYPRXRY-UHFFFAOYSA-N 346.308 4.282 0 1 EIAF O=C(c1nc2nc(Cl)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132426 ARIJEFDZQMULIT-UHFFFAOYSA-N 344.560 4.288 0 1 EIAF c1ccc(CNc2ncccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587229215 BWSSMPCMNRVGLV-UHFFFAOYSA-N 340.390 4.113 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)ccc(Cl)c1F)O2 587380698 BTCRIJVBFOXTQO-KRWDZBQOSA-N 337.753 4.389 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1oc3ccc(F)cc3c1C)O2 587386550 ZPJFYNNDAZBMON-QGZVFWFLSA-N 325.339 4.477 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O 587431759 RFRCKABADCPGIM-AVRDEDQJSA-N 345.398 4.149 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1coc(C(C)C)n1)CC2=O 587488356 IYLCIESHMUNNAL-LJQANCHMSA-N 329.396 4.337 0 1 EIAF CC[C@@]1(/C(C)=C/OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587808541 OJNFXDXWSLLQGF-WSVWDFQCSA-N 342.252 4.278 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587831832 YLFOUIGOXSKGBI-VPTHRUTESA-N 338.220 4.422 0 1 EIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587932236 WGHSWNNDDZUXDX-GTNSWQLSSA-N 347.340 4.431 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587937242 OUEUFMKPELTNJA-YJYMSZOUSA-N 340.423 4.196 0 1 EIAF COc1cncc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955825 QHXHDZQTGYMQOL-KRWDZBQOSA-N 329.403 4.341 0 1 EIAF CCCC[C@]1([C@@H](C)C(=O)OC)c2ccc(F)cc2C[C@@H]2CCCN21 963091755 ACNHKJZYMXNDAE-VHFSOBRXSA-N 333.447 4.041 0 1 EIAF COc1cc(F)cc(OC)c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963114494 VLFIPQCUDXOFDA-FOIQADDNSA-N 345.389 4.092 0 1 EIAF COc1ccc2ccc3c(c2c1)C[C@H](N)[C@@H](c1cc(F)ccc1F)O3 1772593115 KHTOSCLYTIUOSS-AZUAARDMSA-N 341.357 4.130 0 1 EIAF COC(=O)c1ccc(-c2cccn3cc(-c4ccccc4)nc23)cc1 1911578701 BWTFPMWBBQNGJF-UHFFFAOYSA-N 328.371 4.455 0 1 EIAF CCc1cc2c(c(OC)c1OC)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 2356690070 KYSVYMLTWKHFOT-LRAJWGHMSA-N 344.451 4.332 0 1 EIAF CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)nc2ccccc12 421603 QKVPTJMGYXIZKW-CYBMUJFWSA-N 338.432 4.341 0 3 EIAF COc1cc(NC(=O)c2cc3ccccc3o2)ccc1-c1cnco1 12354251 KSCXQUAJOFCGJR-UHFFFAOYSA-N 334.331 4.349 0 1 EIAF O[C@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C2=NCCCCN21 13760579 JDGHEGQYEARKKK-GOSISDBHSA-N 347.245 4.043 0 1 EIAF COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)cc1O 35949725 XFEICBDAXKWVBZ-KGLIPLIRSA-N 330.424 4.172 0 1 EIAF biogenic COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(C)cc1)S3 98084658 LCPPNJFLMOLDPC-UHFFFAOYSA-N 348.431 4.460 0 1 EIAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cccnc3s2)C1 103170215 RPSKRWTVUSXLSG-UHFFFAOYSA-N 349.459 4.242 0 1 EIAF COc1c(C)cc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1C 169351978 HXMOXDJGLVXZHQ-UHFFFAOYSA-N 349.430 4.431 0 1 EIAF CCN1CCN(c2nc(-c3cccs3)cc3ccc(C)cc23)CC1 169353976 XRHRCQQJQOYMGS-UHFFFAOYSA-N 337.492 4.414 0 1 EIAF COCCn1cc(-c2ccc3c(c2)CC[C@@H]3N=O)c(-c2ccncc2)n1 169686108 LWGIVTHVQPXLQY-IBGZPJMESA-N 348.406 4.012 0 1 EIAF CCc1cc2c([nH]c3ccccc32)c2c1[C@H]1C[C@@H](C(C)=O)O[C@H]1N(C)C2 238734012 VWCQUMSYCSEDAS-GTCCEBARSA-N 348.446 4.117 0 1 EIAF CCCCNc1nc2cc(Br)ccc2nc1SC 299854755 BGOUNHJBXRHUMH-UHFFFAOYSA-N 326.263 4.326 0 1 EIAF Brc1cc2nc(C3CCC3)[nH]c2cc1Br 586883643 FCUHAOKECCEBNA-UHFFFAOYSA-N 330.023 4.355 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586886107 ZRTFOONIKHHUDD-UWCDFFNFSA-N 346.272 4.497 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cs1 587022388 WPUQPNMMQNFTJG-UHFFFAOYSA-N 343.415 4.314 0 1 EIAF COc1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029692 SUXHSVGDJKVFDF-UHFFFAOYSA-N 337.404 4.274 0 1 EIAF CC(C)Oc1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587057969 AUJGHYYNVJQVJK-HNNXBMFYSA-N 329.831 4.246 0 1 EIAF Cc1c(Cl)ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587071047 VIAUBDSFDDGYPQ-GFCCVEGCSA-N 334.250 4.463 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 587112888 IAMLAJDITHQSKY-QMMMGPOBSA-N 340.736 4.323 0 1 EIAF Fc1ccc(/C=C/c2nc3cncc(Br)c3[nH]2)c(F)c1 587151243 XVMZDQSDHGJCAL-DUXPYHPUSA-N 336.139 4.169 0 1 EIAF O=C(CCc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(F)c1 587161823 GCGIFXUCZJHDMF-UHFFFAOYSA-N 333.366 4.427 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)C12CCCC2 587488762 LXLVOQFMGXKHEP-WIYYLYMNSA-N 344.451 4.418 0 1 EIAF O=C1C[C@@H](c2ccnc3ncccc23)Oc2c1ccc1c2CCCC1 587524087 JFEKRDILLWQAOO-IBGZPJMESA-N 330.387 4.215 0 1 EIAF COc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1Cl 587563455 FJTLAGZNLBBELB-UHFFFAOYSA-N 332.787 4.121 0 1 EIAF CC1=CN2CC/C(=C\c3ccc(Br)cc3)C(=O)N=C2S1 653705292 FRAWQUJDIAUEIN-XYOKQWHBSA-N 349.253 4.029 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3CCO[C@@H]2CCCCO2)cc1 962659177 AYLFUJWBLFGYOJ-FGZHOGPDSA-N 337.463 4.474 0 1 EIAF CN1C(=O)C[C@@H]2CN[C@@]3(C=C4CCCC[C@@]4(C)CC3)c3cccc1c32 963035524 RXNQGDMDZKYQFH-YDFBLROQSA-N 336.479 4.236 0 1 EIAF Cc1cn2c([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c(C)nc2s1 963107113 NQVJFSMOCRMULV-YJBOKZPZSA-N 341.455 4.262 0 1 EIAF O=c1c2cc(-c3cccnc3)ccc2nc(O)n1CCC1CCCCC1 1857543297 DUTCTCYSWUKHIP-UHFFFAOYSA-N 349.434 4.135 0 1 EIAF Cc1cc(-c2ccco2)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1 1857743050 XFBUODNVNPFENG-UHFFFAOYSA-N 343.390 4.309 0 1 EIAF OCC1(Cc2ccc(Cl)cc2)CCN(C[C@@H]2CC=CCC2)CC1 11753639 QWDRQQHIYVUONN-GOSISDBHSA-N 333.903 4.313 0 3 EIAF CN1C(=O)[C@H](n2ccc3ccccc32)c2cc(OC(F)(F)F)ccc21 206028109 RBPMFXNYYVABSY-MRXNPFEDSA-N 346.308 4.106 0 3 EIAF CC(=O)N1C=C([C@H]2CCCCN2Cc2c[nH]c3ccccc23)CCC1 5160053 YRVWJJHMGFKSBV-OAQYLSRUSA-N 337.467 4.049 0 1 EIAF biogenic COc1ccc(Br)c2c1CC[C@@H]1[C@H]2[C@@H]1c1ccncc1 36289330 SLXPOBZDYHEQIS-MJEQTWJJSA-N 330.225 4.296 0 1 EIAF COc1cccc(NC(=O)CCCCCC(=O)Nc2ccccc2)c1 38788955 QWCHAMBEGAPUQF-UHFFFAOYSA-N 340.423 4.223 0 1 EIAF C[C@@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1ccccc1 40564717 UMPAAIOXQXSUBJ-GFCCVEGCSA-N 345.431 4.100 0 1 EIAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82203897 NXMJLPDLXZFTEH-QMCVQRASSA-N 346.519 4.025 0 1 EIAF COc1ccc(CN(CCCc2ccccc2)c2cccnc2)cc1O 103280504 JMUOIMHRYJBUTR-UHFFFAOYSA-N 348.446 4.435 0 1 EIAF Clc1cccc2ccc(Nc3ccc([C@H]4CNCCO4)cc3)nc12 150016037 LQLYWBRGYCYYGN-QGZVFWFLSA-N 339.826 4.293 0 1 EIAF CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 195268258 DXPXPTSTQIBWMJ-RLDYGABPSA-N 336.472 4.270 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]([C@H]2C[C@H]35)[C@@H]41 195355199 NVLJYIBBEXBONT-KCAUVNMZSA-N 340.555 4.005 0 1 EIAF CSCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224781604 KTMBXSPLWSGXCM-UHFFFAOYSA-N 325.412 4.395 0 1 EIAF CC(=O)Nc1ncc(-c2ccncc2-c2ccccc2Cl)s1 473114325 MUBGZOJORYIQST-UHFFFAOYSA-N 329.812 4.484 0 1 EIAF O=C1CCC[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586883862 HFOKASHRGYUBMY-ZETCQYMHSA-N 343.171 4.220 0 1 EIAF Clc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cn1 587085197 MVBRMPGAMBWEKN-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF O=C1C[C@@H](c2c(Cl)cnn2CCF)Oc2c1ccc1c2CCCC1 587501325 BDXWMFMHTWNBID-INIZCTEOSA-N 348.805 4.091 0 1 EIAF Cc1cccc(OCc2nc3ccc(Br)c(O)c3[nH]2)c1C 587564158 LIDJYCQQVQRGKZ-UHFFFAOYSA-N 347.212 4.227 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794173 TVBHKMBBNWHZMB-JDNHERCYSA-N 337.236 4.102 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccccc2)N1 587815195 KORQGWSUHXRWFB-MGPLVRAMSA-N 348.215 4.046 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)c(C)n1 587871002 NGBJDGVSSBTKIV-UHFFFAOYSA-N 331.778 4.434 0 1 EIAF O=C(c1cc2cc(F)ccc2[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587874087 UFVCVHISQLBNTA-UHFFFAOYSA-N 337.285 4.104 0 1 EIAF COc1cccc(C2(c3nc4ccc(C(=O)O)cc4[nH]3)CCCC2)c1 587933572 QWRCSZTVQBMBLN-UHFFFAOYSA-N 336.391 4.130 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1cccc3ccncc13)N(C)[C@@H](C)C2 962634475 UKTYDBWXUQUNIT-FPTDNZKUSA-N 348.446 4.218 0 1 EIAF Cc1cc(C)c([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)[nH]1 962704596 LHGNKMCZDZXNEL-YWZLYKJASA-N 344.499 4.398 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3[C@@H](C)Cc1ccccc1 963046039 ICOJAWPOCTTZMS-BTYIYWSLSA-N 332.447 4.309 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc(F)ccc1Cl 963634634 KZXOZDYDFZJNPP-WYRIXSBYSA-N 349.833 4.294 0 1 EIAF O=C1c2cccc3[nH]cc(c23)C[C@]12CCCCN2CCc1ccccc1 1772620858 IECOURVQXUYURE-HSZRJFAPSA-N 344.458 4.374 0 1 EIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 2356300910 VIGHBXUSXBPOTG-WTNAPCKOSA-N 348.490 4.204 0 1 EIAF CCCCCC=CC[C@@H](O)[C@H](O)CC=CCC=CCCCC(=O)O 2356621020 LRPPQRCHCPFBPE-RTBURBONSA-N 338.488 4.382 0 1 EIAF COc1ccc2c(c1)C[C@@H](CC1CCN(Cc3ccccc3)CC1)C2=O 1482645 JTEWUJTVAGRGLE-HXUWFJFHSA-N 349.474 4.353 0 1 EIAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@@]2(C)CCC1=CC(=O)OC1 13401947 KZIDMGQRXAFSCG-XNFNUYLZSA-N 332.440 4.113 0 1 EIAF biogenic COc1c(O)c2c(c3c1CCOC3=O)CC[C@H]1C(C)(C)CCC[C@@]21C 13483220 QAIIXQJPXUSTBS-LHSJRXKWSA-N 344.451 4.144 0 1 EIAF biogenic COC(=O)c1ccc(-c2ccc(OC)c(OC3CCCC3)c2)cc1 13745190 FFTRFPSCFYQYQJ-UHFFFAOYSA-N 326.392 4.470 0 1 EIAF CCCCCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 14970973 NKWHELZNPRCJAS-GOSISDBHSA-N 342.391 4.243 0 1 EIAF COc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1OC 28654821 RTZJCLBLNIVCJS-UHFFFAOYSA-N 340.423 4.222 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CCC4=C(O)c5nocc5C[C@@]43C)[C@@H]1CC[C@@H]2O 31829843 YOGRZKPYNPSDSH-YOFCNZEHSA-N 329.440 4.103 0 1 EIAF O=C(Nc1ccccc1OCF)c1cccc2c1C(=O)c1ccccc1-2 40881363 OWNGCVMWWPBKOT-UHFFFAOYSA-N 347.345 4.456 0 1 EIAF CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 40917290 NLRQPOSSIBJNGG-IBGZPJMESA-N 338.451 4.063 0 1 EIAF Clc1ccc(-c2cc3c(ncn4ncnc34)n2-c2ccccc2)cc1 64447332 YDXLSKLMQGKDOY-UHFFFAOYSA-N 345.793 4.389 0 1 EIAF C[C@@H](O)Cc1nsc(Nc2cc(Cl)c(Cl)cc2Cl)n1 82047172 PBIUUQYEWOWKHW-RXMQYKEDSA-N 338.647 4.165 0 1 EIAF CC(C)(CO)c1ccc(-c2c(F)cc3[nH]cc(C(=O)O)c3c2F)cc1 205299507 YVBSJPQSGAJIPG-UHFFFAOYSA-N 345.345 4.081 0 1 EIAF Fc1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 586882880 CNMRDYJXKRIPRG-YGGLWSGOSA-N 336.414 4.356 0 1 EIAF CCc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008485 WUXZDWWEEIBPIT-UHFFFAOYSA-N 341.212 4.203 0 1 EIAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(Cl)nc3[nH]2)c(F)c1F 587133956 GCDBSYDXWXAOEO-RJRFIUFISA-N 345.658 4.477 0 1 EIAF CC(C)(C)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587171023 HVRATGJPZGDDPU-UHFFFAOYSA-N 340.398 4.457 0 1 EIAF Nc1ccc2oc(-c3nc4cccc(Br)c4[nH]3)cc2c1 587251535 IPLHMJBSGNRJPB-UHFFFAOYSA-N 328.169 4.321 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccsc3)s1)O2 587414248 SFLKQYPLOGEZDJ-AWEZNQCLSA-N 342.445 4.469 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O 587424379 ZCYJEHOEINFIQW-DJJJIMSYSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ncc1F)CC2=O 587473166 XWQSPNRHUZFJHW-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H]2CC[C@@]1(C)C2(C)C 587477466 CIJKNGPYQGDDKI-OREJSRFESA-N 342.435 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(C1CC1)CC2=O 587492033 VYDLWHCIJNESCX-OAQYLSRUSA-N 337.419 4.096 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3nc1O)CC2=O 587493066 ZHIMEHMBPOUCTO-LJQANCHMSA-N 349.386 4.305 0 1 EIAF O=C1C[C@H](c2ccc(OC(F)F)nc2)Oc2c1ccc1c2CCCC1 587503292 GGMUYRPICMEFGS-MRXNPFEDSA-N 345.345 4.268 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Cl)cc2s1 587653847 MUPNQGRHIOCPOA-UHFFFAOYSA-N 348.214 4.302 0 1 EIAF COc1ccc(C=O)cc1-c1nc2cc(C)c(Br)cc2[nH]1 587787322 NYKMPCGHQBCITF-UHFFFAOYSA-N 345.196 4.122 0 1 EIAF Cc1nc(-c2cccnc2)sc1-c1nnc(Cc2ccccc2)o1 653887043 ZUWCNLFCSQFFSC-UHFFFAOYSA-N 334.404 4.154 0 1 EIAF CCC[C@H]1CN(C)CC[C@]12c1ccsc1CCN2Cc1ccco1 962705200 KLGQCYMPEUGBAT-OXJNMPFZSA-N 344.524 4.347 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]c3nccc(C)c23)N1 962938931 APTFSRADFPBVFP-XCLFUZPHSA-N 330.435 4.366 0 1 EIAF Cc1cnc(NC(=O)[C@H](C)CCOc2ccc(Cl)c(C)c2)s1 1857548292 MCZZANQGBJFBKM-SNVBAGLBSA-N 338.860 4.457 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@H]1C 2356590510 QJKGZNSDXBIUKZ-ZDRAVBCZSA-N 332.440 4.108 0 1 EIAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356863994 UTZOQTBZXWPTNC-HGDGHVPZSA-N 330.560 4.287 0 1 EIAF COc1ccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)nc1 13673148 PAZTVWMUEFXHCJ-CNQBRFMGSA-N 341.451 4.107 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@@]21CCC(=O)O1 26482019 BEUOVAGPYSYPLV-RMVXJAJNSA-N 326.436 4.268 0 1 EIAF O=C1Nc2cccc(Cl)c2/C1=C\c1c(Cl)nc2sccn12 31905371 KJMZTMKFPOBCDK-VOTSOKGWSA-N 336.203 4.195 0 1 EIAF CCOc1cc(NC(=O)Nc2ccnc3ccccc23)cc(OC)c1 45303279 AVMXJNLSQUKLHX-UHFFFAOYSA-N 337.379 4.286 0 1 EIAF Clc1ccc([C@]23CCNC[C@@]2(COCC2CC2)C3)cc1Cl 53243562 ZPPOFTVMEMXBDU-IAGOWNOFSA-N 326.267 4.041 0 1 EIAF C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@@H]1C2(C)C 72114616 BVLMUEUIQIASQJ-DNJQJEMRSA-N 326.362 4.296 0 1 EIAF COc1ccc(Nc2nccc3c2cc(-c2ccccc2)n3C)cn1 74386882 ZTJHVSFXUNFCLV-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF CC(=O)Nc1cccc(Oc2cc(NCc3ccccc3C)ncn2)c1 82068364 HIXXIHVZGHZAHJ-UHFFFAOYSA-N 348.406 4.148 0 1 EIAF CCCCN1COc2cc3c(cc2C1)C=C(c1ccc(O)cc1)CO3 147181909 CFLLNTJZWSXWCC-UHFFFAOYSA-N 337.419 4.277 0 1 EIAF COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(Cl)c12 224918719 QGSWOCCDAUKNAQ-UHFFFAOYSA-N 326.787 4.385 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3 523042174 MQXZRJIHBYXBLW-QUEWWNOUSA-N 334.500 4.466 0 1 EIAF biogenic CCC(C)(C)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 586880078 CBXNJVHYILVYCV-UHFFFAOYSA-N 330.482 4.285 0 1 EIAF O=C1CCC[C@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 586883390 BPYWVGBTDSILFK-HNNXBMFYSA-N 332.403 4.411 0 1 EIAF Nc1ccc(-c2ccc3nc([C@@H]4CCCC(=O)CC4)[nH]c3c2)cc1N 586889007 ZWLVUFOZCNLAFO-GFCCVEGCSA-N 334.423 4.011 0 1 EIAF COc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006007 DYQXPGGDABHATM-UHFFFAOYSA-N 342.196 4.254 0 1 EIAF Cc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1C 587006606 JHNYRJSILRPXSJ-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF Clc1cnc(Cl)c2[nH]c(C[C@H]3OCCc4ccsc43)nc12 587037859 ZQFIFDHFPNGVLZ-SECBINFHSA-N 340.235 4.183 0 1 EIAF Cc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587071213 XKWWZYVSSJGZOQ-LBPRGKRZSA-N 334.250 4.463 0 1 EIAF COc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587227489 YCYHJTDGWRSRGH-INIZCTEOSA-N 345.443 4.328 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3C=CC[C@@H]32)[C@H]1c1ccc(F)cc1 587353769 OWPIZFGWNDGDTL-YBGRSWKWSA-N 336.362 4.225 0 1 EIAF CSCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369732 OFOFUARJXUJJNR-IEBWSBKVSA-N 346.423 4.402 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Cl)cc2C[C@H]1C 587378285 BCIWDPNAJMDKFS-NSPYISDASA-N 327.811 4.284 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C=O)c1)(C1CCC1)O2 587405445 LGLHNJNQRPSSJB-NRFANRHFSA-N 335.403 4.051 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccccn13)CC2=O 587487259 FBZHZZDNJXPBNA-QGZVFWFLSA-N 336.391 4.007 0 1 EIAF CNc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N 587513119 PXEXLSSGYATLLS-OAQYLSRUSA-N 336.435 4.070 0 1 EIAF CCc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585778 GDPRULUMLKCTPW-NQIIRXRSSA-N 347.370 4.053 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(C)C 587868133 VEXXCYZDSIFIQA-UHFFFAOYSA-N 341.333 4.049 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587962052 HUTLVLNREYRMLA-HTQZYQBOSA-N 330.737 4.393 0 1 EIAF CC(C)(C)C[C@]1(C2CC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732366 ZYKGMMWQFJLKGT-MAUKXSAKSA-N 339.401 4.374 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356313309 VZGVYUAWGQJKPO-YRCTWBNTSA-N 346.511 4.284 0 1 EIAF COc1ccc2c(c1)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OC(C)(C)C=C4 2356515959 GYCYIUKEDMRHDH-UZLBHIALSA-N 336.387 4.489 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@@H](O)[C@H]1CC=CCCCC(=O)O 2356710308 YRFLKMLJQWGIIZ-YDZRNGNQSA-N 338.488 4.072 0 1 EIAF Cc1ccc2c(C[C@H](C)NC[C@@H](O)c3cccc(Cl)c3)c[nH]c2c1 13488812 WOWWREMXHNACHB-VBKZILBWSA-N 342.870 4.384 0 1 EIAF CCCC[C@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 27421125 VGUKOKATWNDEOI-SXYSDOLCSA-N 343.511 4.307 0 1 EIAF C[C@@H]1CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 40700970 LTWIOIIEIHAYGU-OUWXYEHJSA-N 325.496 4.497 0 1 EIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12 43173665 MJUSLUQFEHEIHA-UHFFFAOYSA-N 332.787 4.461 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 71404379 VVCXPQBVJROEEN-RPELPBHHSA-N 332.440 4.047 0 1 EIAF COc1ccc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 95576806 ZWSIWRFRTMGTAM-UHFFFAOYSA-N 346.386 4.200 0 1 EIAF COc1cccc(CC[C@H](CC(=O)CCc2ccccc2)OC)c1 95913542 RICKWTXUXIICNN-OAQYLSRUSA-N 326.436 4.235 0 1 EIAF biogenic,in-vitro COc1ccccc1Nc1cc2[nH]c(-c3cnn(C)c3C)cc2cn1 103250551 XTEITABXQWKBCO-UHFFFAOYSA-N 333.395 4.024 0 1 EIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 104115825 ZSAKGHFVKVTESS-VZHUHSAUSA-N 346.818 4.213 0 1 EIAF COc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1 139697757 SEHNHZCXMBDFMD-UHFFFAOYSA-N 334.293 4.182 0 1 EIAF COc1ccc([C@H]2CCN(c3ccnc4ccccc34)C2)cc1OC 169340278 SWHLGEWNBOWLHP-INIZCTEOSA-N 334.419 4.246 0 1 EIAF CC(=O)O[C@H]1C[C@H](C)[C@H]2CC=C(C)C3=CC[C@]4(C)C(=O)C[C@@H]1[C@@]2(C)[C@H]34 169654239 IUBCDTFREQUAAM-HAVWPOOFSA-N 342.479 4.472 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@H](C(=O)O)C3 238753020 HITLMPHPGUZLGI-HLLQXRNWSA-N 334.456 4.185 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@]21C 238783109 GBHOTPKNLQPMRP-FXOXCMJQSA-N 330.424 4.028 0 1 EIAF Cc1cc(=NCc2cccc(Cl)c2Cl)c2cccc(CN)c2[nH]1 473089727 LPTMRZCFVZJPLH-UHFFFAOYSA-N 346.261 4.343 0 1 EIAF OCc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 586895778 YLMFCTBMVBVFSL-UHFFFAOYSA-N 337.604 4.138 0 1 EIAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cccc21 586912082 QCUSBYFODPVGFK-UHFFFAOYSA-N 333.313 4.314 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccn1CC3 586988250 OCBJRSFZGCMBDD-UHFFFAOYSA-N 338.366 4.176 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc[nH]c1CC3 586990628 ZWNFZGWEQGFTQR-UHFFFAOYSA-N 338.366 4.246 0 1 EIAF Clc1cccc(C2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CC2)n1 587084197 IZSFQIIWRJAGRA-UHFFFAOYSA-N 339.613 4.393 0 1 EIAF COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1C 587093091 UXIHORZOAORGIB-UHFFFAOYSA-N 325.290 4.030 0 1 EIAF Cc1nc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2cc1Br 587161617 OYSNNUDQIJWGLN-NWDGAFQWSA-N 346.203 4.439 0 1 EIAF CCOC(=O)CNc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 587226335 YRZLPIVTNCJWSL-UHFFFAOYSA-N 345.402 4.358 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)ccc1O)O2 587402971 CZNJGNWIZMDEQU-SFHVURJKSA-N 325.408 4.287 0 1 EIAF CCC[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442324 LFLRQESEZYNNNR-DYESRHJHSA-N 338.403 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(F)F)CC2=O 587465582 IOPQFKPWCPINHO-IBGZPJMESA-N 332.346 4.471 0 1 EIAF CCCc1c(O)ccc2c1O[C@]([C@H](C)O)(C1(C)CCCCC1)CC2=O 587479735 CKSSJGGVVIYDQI-LHSJRXKWSA-N 346.467 4.400 0 1 EIAF COc1ccc(C[C@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1OC 587926191 KMCZTDMLONUTOE-ZDUSSCGKSA-N 347.418 4.475 0 1 EIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587932234 WGHSWNNDDZUXDX-DIFFPNOSSA-N 347.340 4.431 0 1 EIAF CCc1cc2cc(C(=O)[C@H]3CC[C@@H](OC)CC3)ccc2nc1OC 914431293 IOCYQQQCJYMWDT-KDYLLFBJSA-N 327.424 4.194 0 1 EIAF CC(C)[C@H]1C[C@]2(CCO1)c1ccsc1CCN2Cc1cccnc1 962990855 BYWPPBLSWRHYLN-UYAOXDASSA-N 342.508 4.232 0 1 EIAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(-c2cccs2)cc1 963118194 ARKDVKMIYKAEAS-LJQANCHMSA-N 335.428 4.348 0 1 EIAF CCCCc1nc2cc(C(=O)N(C)[C@@H](C)c3ccccn3)ccc2o1 11938356 NORHRAWDKURUCK-AWEZNQCLSA-N 337.423 4.399 0 3 EIAF CC(C)(C)[C@@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@@H]2OCCCO 95567591 FAXGGTWJRHCGMH-RZUBCFFCSA-N 345.527 4.201 0 3 EIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@@]21C 1570852 LZCICCXBBYHFCF-HGJXOLFZSA-N 346.511 4.164 0 1 EIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(O)cc1 28221533 BAXKULRSDFFZQS-UHFFFAOYSA-N 348.424 4.182 0 1 EIAF CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C 33831726 ZGSGPGJJWNVAIA-RTTOPSFLSA-N 334.456 4.332 0 1 EIAF CCCCOC(=O)c1ccccc1C(=O)OCCc1ccccc1 33945319 SKLDSBDDFLLJHC-UHFFFAOYSA-N 326.392 4.043 0 1 EIAF biogenic C[C@H]1[C@@H](NCc2coc(-c3ccc(O)cc3)n2)C[C@@H]2C[C@H]1C2(C)C 72181704 XTODPSLMGDNQAE-OLUCIUBSSA-N 326.440 4.208 0 1 EIAF Cc1ccc(CNCc2coc(-c3ccccc3Br)n2)o1 72182973 KTEKZLWSGUEAJA-UHFFFAOYSA-N 347.212 4.295 0 1 EIAF CCCc1nc2c(NCc3ccccc3)ncnc2n1C[C@H](C)CC 82178669 FKRHVFKOYYONQM-OAHLLOKOSA-N 337.471 4.437 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(C)C4)[C@@]1(C)CO 102078651 IIFAULFSLBRVHS-QZRXDCOGSA-N 346.511 4.179 0 1 EIAF CC1=Nc2ncnn2[C@@H](c2cccs2)/C1=C(\O)OC1CCCCC1 103938820 GWJMAFQCRDYIAA-IDTYTIONSA-N 344.440 4.154 0 1 EIAF CC(C)(C)C(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 169342434 SHHWJFWQYLCSAZ-MIDDJGGXSA-N 345.508 4.204 0 1 EIAF COc1cccc(N(C)C(=O)c2ncc(-c3cccc(C)c3)s2)c1 169351573 HEOFCTDOHLBFLO-UHFFFAOYSA-N 338.432 4.404 0 1 EIAF O/N=C1/c2ccccc2O[C@@H](c2cccc(Cl)c2)[C@H]1n1ccnc1 214714259 XGNNKFNOAKZDNO-UKZISERJSA-N 339.782 4.090 0 1 EIAF O[C@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 586899941 WZTGOJXILOHVDQ-OCAPTIKFSA-N 334.725 4.133 0 1 EIAF COC(=O)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131261 AUHVUIYEMDZIIE-UHFFFAOYSA-N 342.345 4.231 0 1 EIAF Nc1ccc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587251363 DULPJADYALVNCM-ZZXKWVIFSA-N 349.619 4.126 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(C(C)(C)C)c1)O2 587405392 WPOUWBMCKOSFEM-GOSISDBHSA-N 325.408 4.287 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1)(c1ccccc1)O2 587406648 TWKFRHHQUGSNDG-UHFFFAOYSA-N 329.399 4.486 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccccc4C)c1)[C@@H](C2)C3=O 587430613 JRRJBXOVTMFGIN-HTAPYJJXSA-N 345.398 4.283 0 1 EIAF CCC[C@@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455894 QWWFUKYCLSGWQN-NVAPDCRFSA-N 344.451 4.187 0 1 EIAF COc1nccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509623 VLTQFIMUJFJDLC-MRXNPFEDSA-N 343.810 4.329 0 1 EIAF CCCC(=O)O[C@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587520517 DNNOURYDFZXTMN-XCLFUZPHSA-N 330.424 4.021 0 1 EIAF CCOc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535931 PTOXENAJBXUBEL-OAHLLOKOSA-N 329.421 4.127 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)c1 587868317 KGPCPLHHFATWBV-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1F 587926757 OYPKYBXCCZPSSX-NSHDSACASA-N 344.386 4.074 0 1 EIAF C[C@H](Cc1ccc([Si](C)(C)C)cc1)CN1CC[Si](C)(C)CC1 653762760 JCQWKZLNBDZKEG-QGZVFWFLSA-N 333.668 4.434 0 1 EIAF CN(CCCCN1C(=O)OC[C@@H]1c1ccccc1)Cc1ccccc1 1772599531 KDJNUQKPANAGAS-HXUWFJFHSA-N 338.451 4.092 0 1 EIAF CSc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 1772622790 XNQNBTHCNLHVRI-UHFFFAOYSA-N 335.436 4.183 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356441707 BMDNPBLUVJZAEA-YQUGOWONSA-N 332.484 4.242 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@H]3CCC[C@@H]1[C@@]32C 2356647170 DEFMCBVSKBZNPH-APMGSMSJSA-N 344.407 4.173 0 1 EIAF O=C(C=CCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1 2356672925 BYKNKNBUHGFXQF-UHFFFAOYSA-N 327.424 4.168 0 1 EIAF CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2ccc(F)cc21 16864 HMSDEAVFDRGYSD-UHFFFAOYSA-N 339.345 4.175 0 1 EIAF CC(C)CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12 6805401 LLJCJXRXDMGLGH-UHFFFAOYSA-N 331.423 4.403 0 1 EIAF O=C(c1ccc(Oc2ccccc2)cc1)c1ncc2cccnc2c1O 28368387 SMADSFUCMXXOKB-UHFFFAOYSA-N 342.354 4.359 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]1CCC(=O)O[C@@H]12 40405737 MJBLVJGTJSGZKF-ONDNAQIXSA-N 326.436 4.180 0 1 EIAF COC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 40974905 AGZRTKZYIQKYOJ-LJQANCHMSA-N 334.419 4.122 0 1 EIAF O=C(c1nc(-c2ccccc2)c2cc(Cl)ccc2n1)N1CCCC1 84689130 QHJBGWXVWDQGQN-UHFFFAOYSA-N 337.810 4.186 0 1 EIAF COc1ccc2[nH]cc(CNc3ccc(-c4cnco4)c(OC)c3)c2c1 96935305 GAWYDONJBNILPG-UHFFFAOYSA-N 349.390 4.452 0 1 EIAF CSc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 103261300 HTHZDVJZKVXHKO-SFHVURJKSA-N 337.448 4.011 0 1 EIAF Cc1cc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2[nH]1 117624504 KHWMGRISTVXPQI-FPOVZHCZSA-N 330.431 4.421 0 1 EIAF Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1C 169722669 FLJFJEJINAIYRW-UHFFFAOYSA-N 327.405 4.142 0 1 EIAF CCCCCCNC[C@@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@H]1O2 253654145 ZDJZFDUXRZUEIT-MPFHODIXSA-N 337.504 4.151 0 1 EIAF CNC1=CC2=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)NC[C@@]54CC[C@H]3[C@@]2(C)CC1 255204365 CUBFRIYMPHETLI-JWZGKWLQSA-N 326.528 4.250 0 1 EIAF O=C1CCC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 586885106 XFVFTSBLOHGSOA-MRVPVSSYSA-N 347.287 4.229 0 1 EIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(F)cc2[nH]1 587043732 UMDWNUMXJFOHEH-CQSZACIVSA-N 347.802 4.011 0 1 EIAF CCOc1ccccc1[C@](N)(c1nc2ccc(C)cc2[nH]1)C(F)(F)F 587091923 IZQUQONTYKTXOO-KRWDZBQOSA-N 349.356 4.035 0 1 EIAF Cc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1C 587111613 NCWYCQZLSRESQR-UHFFFAOYSA-N 347.340 4.129 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cs1)O2 587411804 WBUSKHUDGHWFTB-LBPRGKRZSA-N 338.226 4.108 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C3CCCC3)s1)O2 587413462 OIHOWRHDMCYFMS-OAHLLOKOSA-N 328.437 4.398 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(C)(C)C)c1O)[C@@H](C2)C3=O 587450045 LWSOJPIQOCXQQY-XOBRGWDASA-N 338.403 4.187 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c[nH]1 587550409 AGHHCKPVWOVHGU-YJBOKZPZSA-N 341.750 4.077 0 1 EIAF Cc1[nH]c2cccc(F)c2c1C(=O)NC1C2CC3CC(C2)CC1C3 587635096 GWIOJWMVFVETCH-UHFFFAOYSA-N 326.415 4.170 0 1 EIAF CCOC(=O)c1c(-c2cncn2C)[nH]c2ccc([C@@H](C)CC)cc12 587641386 FLQQKHJJSOAKCC-LBPRGKRZSA-N 325.412 4.259 0 1 EIAF N=c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c[nH]1 587783920 JHMHFBKWTZZIDQ-DHZHZOJOSA-N 342.402 4.120 0 1 EIAF C/C=C1\NNC(=O)C(c2nc(-c3ccc(C)c(C)c3)cs2)=C1CC 587920756 NXVCDEUTTFCXME-UUASQNMZSA-N 339.464 4.129 0 1 EIAF COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956407 ZSNSQZPNWASIEJ-KRWDZBQOSA-N 329.403 4.341 0 1 EIAF COc1ccccc1-c1cc2c(N=c3cc[nH]cc3C)nccc2[nH]1 618012504 KOCHQKWYRGGBIE-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2ncco2)N1 962959026 VKKOTYJGYYAPHL-OPAMFIHVSA-N 343.430 4.372 0 1 EIAF Fc1cccc(N2CCCC2)c1[C@H]1NCCc2cc(Cl)ccc21 963390047 FKJYLBPLBRZBNL-IBGZPJMESA-N 330.834 4.314 0 1 EIAF CC(C)(C)C(=O)Nc1ccc2c(c1)C[C@H]1c3ccsc3CCN1C2 1857644503 YTUJGKMWSVLHOU-KRWDZBQOSA-N 340.492 4.388 0 1 EIAF O=C(CCSCc1ccc(Cl)cc1)NCc1cccs1 2944148 PBSIWIYJMHDRDZ-UHFFFAOYSA-N 325.886 4.341 0 3 EIAF CCN1C(=S)N(c2cc(Cl)ccc2C)C(=O)[C@H]1c1ccccc1 27747366 FUSVBFNKYHZTMZ-MRXNPFEDSA-N 344.867 4.343 0 1 EIAF C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 28816450 YXBCRJFFPSUINZ-WWGRRREGSA-N 327.877 4.072 0 1 EIAF COc1cccc(N(CCNC(C)=O)c2ccc3ccccc3c2)c1 28864627 PYUSLQCLSFTYGV-UHFFFAOYSA-N 334.419 4.123 0 1 EIAF CC(=O)O[C@@]1(C(C)(C)C)CCN2C[C@@H](c3ccccc3)CC[C@@H]2C1 29416552 XVWKTOVXJYWCEA-ZVDOUQERSA-N 329.484 4.376 0 1 EIAF FC(F)(F)c1cc(NCCc2ccccc2)nc(-c2ccccn2)n1 40861520 PLGDVRBIRVMWOY-UHFFFAOYSA-N 344.340 4.212 0 1 EIAF c1ccc(-c2ccccc2O[C@H](C2=NCCN2)c2ccccc2)cc1 40957107 XXOSLSPHUHLICG-NRFANRHFSA-N 328.415 4.475 0 1 EIAF O=C(O)c1c[nH]c2ccc(Cc3c(Cl)cccc3Cl)cc2c1=O 43070858 KGERHHFTPBDJEN-UHFFFAOYSA-N 348.185 4.124 0 1 EIAF CC(C)N(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1 45288113 MZMCZACACVQCBM-UHFFFAOYSA-N 341.411 4.399 0 1 EIAF N=c1ccn(CCCCCCCCCCn2ccc(=N)cc2)cc1 100016986 HLCXVISDJNLIBZ-UHFFFAOYSA-N 326.488 4.070 0 1 EIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Cl)c(Cl)c1 117718150 ORXKPQKZTOYBFR-CYBMUJFWSA-N 335.234 4.323 0 1 EIAF Cc1ncc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)o1 143347332 OPELJYVQFCKQEM-QGZVFWFLSA-N 331.293 4.429 0 1 EIAF Clc1ccc(-c2cc(-c3ccc([C@H]4CNCCO4)cc3)[nH]n2)cc1 205112240 PKOLLVWCJWWZKW-LJQANCHMSA-N 339.826 4.058 0 1 EIAF Clc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 587005659 PCEJCCMTFYUZPX-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF CSc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587043411 ZHYORWFUCVRJDD-SJORKVTESA-N 341.505 4.231 0 1 EIAF Cc1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 587089767 XWSPRIYHHUTBBX-UHFFFAOYSA-N 338.155 4.169 0 1 EIAF COc1c(F)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1F 587135073 RVQQVNGOPSKENF-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF COc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2n1 587158986 UKKVQFHBCIALRG-UHFFFAOYSA-N 347.349 4.252 0 1 EIAF COc1cc(C)c(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587374719 JETKYTIJEHVHDK-LJQANCHMSA-N 345.826 4.428 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(CC)c1C)CC2=O 587474470 FMBUMMBEEBKSDW-FQEVSTJZSA-N 342.439 4.059 0 1 EIAF O=C1C[C@H](c2c[nH]nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 587523171 HDIYYQLFSABXND-LJQANCHMSA-N 345.402 4.057 0 1 EIAF O=C1C[C@@H](c2ccc3nsnc3c2)Oc2c1ccc1c2CCCC1 587537158 BGFNBTKHSLGFFI-SFHVURJKSA-N 336.416 4.277 0 1 EIAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617018 OBGHRWUNFNUQTI-PXNSSMCTSA-N 336.343 4.251 0 1 EIAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12 587634426 ZUYKYUAUONMKEW-UHFFFAOYSA-N 325.208 4.138 0 1 EIAF N=c1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c[nH]1 587957259 JLUBVEJUEXMRJN-UHFFFAOYSA-N 346.475 4.289 0 1 EIAF Cc1cc2c(cc1F)[C@@](C)(CC(=O)c1cc(Cl)ccc1O)NCC2 962373625 ILNWOSJVENCZQN-LJQANCHMSA-N 347.817 4.127 0 1 EIAF Cc1nc2ccccn2c1[C@H]1c2ccsc2CCN1Cc1ccco1 962706617 JRTNEQWBSWBJCK-HXUWFJFHSA-N 349.459 4.445 0 1 EIAF COc1cccc2cc3c(nc12)[C@]1(CCc2cccc(C)c2C1)NCC3 963058493 PEUNWPAULIFWCH-HSZRJFAPSA-N 344.458 4.082 0 1 EIAF Cc1ccnc2c1CCN[C@@H]2c1c(Cl)cccc1N1CCCCC1 963064662 BSXORZCFHSDLLB-HXUWFJFHSA-N 341.886 4.269 0 1 EIAF COc1ccc(F)cc1[C@@H]1C[C@@H]1CNC1(c2ccccc2OC)CC1 1772593603 UTOZUXHROYLHEJ-GDBMZVCRSA-N 341.426 4.225 0 1 EIAF Cc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1 1857580096 GXCMCDVHMWZWJF-UHFFFAOYSA-N 326.403 4.364 0 1 EIAF CC(C)c1c(O)ccc2c1[C@H](O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356495130 GMSLFNUEEZTQCO-VVVONTASSA-N 332.440 4.101 0 1 EIAF Cc1nc2ccccc2c2oc(C(=O)NCCc3ccsc3)cc12 4902903 YMIRFJNLQKOPHX-UHFFFAOYSA-N 336.416 4.323 0 1 EIAF NS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(Cl)cc2)cc1 13755784 LKDQUKKEOTYRQL-UHFFFAOYSA-N 343.835 4.321 0 1 EIAF FCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 29127926 INXHZFDLASUEAY-UHFFFAOYSA-N 348.849 4.011 0 1 EIAF CC(=O)O[C@H]1CCC[C@]2(C)C1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 66259086 WJINZNWBMZDWPK-MGURBANRSA-N 330.468 4.450 0 1 EIAF Clc1ccc(CNCCNc2nc3ccccc3o2)cc1Cl 84616788 KNGCCPCMFKHNEA-UHFFFAOYSA-N 336.222 4.336 0 1 EIAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1 117721265 UJRCBGVSNLVYNW-OAHLLOKOSA-N 348.368 4.425 0 1 EIAF Cn1ncc2c(-c3ccc4cc(NC(=O)C5CC5)ncc4c3)cccc21 144613030 VDZFOKTZABDMRV-UHFFFAOYSA-N 342.402 4.137 0 1 EIAF CCCC(=O)Oc1ccc(/C=C/COC(=O)CC(C)C)cc1OC 473097927 DMTISPOTNAGMHD-SOFGYWHQSA-N 334.412 4.003 0 1 EIAF Cc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F 586979445 MZGLFRUSQOAKOD-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF N=C(N)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048342 HFYMYDNPCJKMGW-ZJUUUORDSA-N 345.233 4.425 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(OC)c1)CC2=O 587466178 KFCCXUAIWLMTKT-QGZVFWFLSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3c(s1)CCC3)CC2=O 587494120 IKKINZNYCRLUTP-IBGZPJMESA-N 343.448 4.171 0 1 EIAF CCOC(=O)[C@@]1(CC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587525935 WRJPKNYWCSEDQD-NRFANRHFSA-N 344.451 4.269 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)cc1O 587787205 RMSONOFKUWSYFJ-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF COc1cccc(C2(c3nc4cc(Cl)cnc4[nH]3)CCCC2)c1 587930634 IWHSALZXCIESBQ-UHFFFAOYSA-N 327.815 4.480 0 1 EIAF Cc1ccccc1-c1ccc(Cc2nc3ccc(C(N)=O)cc3[nH]2)cc1 587960266 XMFAYNJKCPIUAW-UHFFFAOYSA-N 341.414 4.228 0 1 EIAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)ncnc12 653720455 KJLHEVSAJFFFGP-UHFFFAOYSA-N 344.422 4.150 0 1 EIAF C[C@H](OCc1ccccc1)[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963095240 CNRSAITWKLQNJO-UQASEVPWSA-N 325.427 4.493 0 1 EIAF CC[C@@]1(c2ccc(N)cc2)c2cccc(Br)c2CCN1C 963268962 CJCOSZJBLDBFPL-GOSISDBHSA-N 345.284 4.173 0 1 EIAF CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccccc2)CC1 1857766963 HUXJDKYOFJYWSG-UHFFFAOYSA-N 342.527 4.327 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@]13COC(=O)[C@@H]1CCC[C@@H]23 2356374647 AYCMMSGIYHDUSS-TUIIKVOISA-N 330.424 4.117 0 1 EIAF CC(=CCc1cc(O)ccc1O)CCc1c(C)cc(O)c(C=O)c1C 2356523682 BCYBPYQVUROVFP-UHFFFAOYSA-N 340.419 4.354 0 1 EIAF CC(=CCCC(C)=CC(=O)O)CC=C[C@]1(C)CC[C@H](C(C)(C)O)O1 2356747586 GNUKGZCDYOYXSD-YLJYHZDGSA-N 336.472 4.399 0 1 EIAF c1ccc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1 1503823 NZMNZLSKCKNYMV-UHFFFAOYSA-N 339.402 4.213 0 1 EIAF COc1cc2c(c3oc(-c4cc(O)cc(O)c4)cc13)CC=C(C)CO2 14610063 QRLJHLHVDMQXPO-UHFFFAOYSA-N 338.359 4.401 0 1 EIAF endogenous,in-man CCSc1c(C)on(C(=O)N(CC)c2ccc(Cl)cc2)c1=O 34495481 FBDXYSIFIGXATM-UHFFFAOYSA-N 340.832 4.010 0 1 EIAF NC(=O)c1ccc2nc(-c3ccc(-c4ccc(F)cc4)cc3)[nH]c2c1 38441793 NLDXIKCKGKBVSG-UHFFFAOYSA-N 331.350 4.135 0 1 EIAF Cc1sc(NC(=S)N(C)C2CCCCC2)c(C(=O)O)c1C 39092080 MEZMTOVQURDHAL-UHFFFAOYSA-N 326.487 4.024 0 1 EIAF O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc21 40394295 SQLNGKBETYHYNQ-UHFFFAOYSA-N 339.700 4.088 0 1 EIAF COc1ccccc1CCNc1cncc(Oc2ccc(F)cc2)n1 82068549 VOKFGZJLYLWKHK-UHFFFAOYSA-N 339.370 4.071 0 1 EIAF N=C(N)N1[C@@H](CCc2ccccc2)CC[C@H]1Sc1ccccc1 211623041 LLMUOICAETXIKH-FUHWJXTLSA-N 325.481 4.095 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C\Cl)[C@H]1CC[C@@H]2O 253638754 PHKKCWVLOCDAJQ-IJZACKEISA-N 336.903 4.404 0 1 EIAF Cc1c(O)nc(N2CCC[C@@H](C)C2)nc1[C@H](C)c1c(F)cccc1F 253658921 BYCKKLNCIFUEKA-VXGBXAGGSA-N 347.409 4.157 0 1 EIAF Cc1ccc2nc(-c3cc4ccccc4o3)nc(NCCN(C)C)c2c1 299866395 OUJNVVSCJAERQT-UHFFFAOYSA-N 346.434 4.325 0 1 EIAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(O)cc2[nH]1 586997267 VTCLPNMUFRZGCT-UHFFFAOYSA-N 347.212 4.345 0 1 EIAF Clc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587006283 CUXLNCNIYORYLD-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF Cc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082272 MONKPDBRDFBVLX-UHFFFAOYSA-N 338.798 4.425 0 1 EIAF C[C@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O 587206825 NNIUVLJBSKBWCE-VXGBXAGGSA-N 343.382 4.197 0 1 EIAF CC(C)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346640 JWZXARONVGJQFW-UYAOXDASSA-N 344.382 4.074 0 1 EIAF O=C1c2ccc(O)cc2OC(C2CC2)(C2CC2)[C@H]1c1ccc(F)cc1 587357128 SXACYIXCDUVVTQ-IBGZPJMESA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1N(C)C)O2 587373619 FJROZBMEGHLLES-MRXNPFEDSA-N 330.815 4.003 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4ccccc4c1O)[C@@H](C2)C3=O 587449227 INJCPFKTXLUUGP-HRAATJIYSA-N 332.355 4.043 0 1 EIAF C[C@]1(c2ncccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500703 NNPJHTBCYPSGNO-LJQANCHMSA-N 327.811 4.494 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2F)N1 587738478 ORMHDKBHKQEHML-ZWZTZDBGSA-N 330.216 4.230 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587932260 RKYZBPZJUPNFKN-CYBMUJFWSA-N 338.407 4.079 0 1 EIAF CC(C)CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1 3955693 WTTQFMYUEOFLPL-UHFFFAOYSA-N 330.472 4.019 0 1 EIAF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O 13130937 PKAIECBWQZFYRP-DQPUPDSMSA-N 330.424 4.172 0 1 EIAF COc1c(C(C)=O)c(O)c(OCc2cccc(F)c2)c2occc12 13682342 QYVHQWWIBXRECT-UHFFFAOYSA-N 330.311 4.068 0 1 EIAF COc1ccc([C@H]2COc3cc(O)ccc3C2)c(O)c1CC=C(C)C 14819417 RMIHCTUWJGVJQB-OAHLLOKOSA-N 340.419 4.334 0 1 EIAF biogenic,in-vitro Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccn2)s1 14952135 XKKXPFCQILQKNM-UHFFFAOYSA-N 344.827 4.496 0 1 EIAF CN(C)[C@H](Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12 15209787 RHWHMFSBROSYKE-LJQANCHMSA-N 331.419 4.267 0 1 EIAF biogenic Cc1nc(-c2ccc3occ(-c4ccc([S@](C)=O)cc4)c3c2)no1 45286808 JLFKBOGEUSGFBA-XMMPIXPASA-N 338.388 4.196 0 1 EIAF CC[C@H](C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 64573707 VWGHOUBTMCEFCM-NSHDSACASA-N 329.783 4.111 0 1 EIAF Cn1nc2c(c1C(=O)SCc1ccc(C(C)(C)C)cc1)CCC2 103182266 RLQLEQGVJJYLFS-UHFFFAOYSA-N 328.481 4.280 0 1 EIAF C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@@H]1CN1 118930179 MFWABCGQFDBVQU-YZHQKZSSSA-N 327.512 4.496 0 1 EIAF Nc1nc(N)c2cc(Sc3cc(Cl)cc(Cl)c3)ccc2n1 169337655 UATWMBZFERSNNB-UHFFFAOYSA-N 337.235 4.252 0 1 EIAF O=C(c1ccc(/C=C/c2cc(O)cc(O)c2)cc1)c1ccccc1O 210453631 VOWQKYRLTDNSQB-AATRIKPKSA-N 332.355 4.205 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(C1CCCCCC1)C(=O)N2 219520747 KCFSKEILCZCKOW-FQEVSTJZSA-N 340.423 4.069 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(CO)[C@@H](CC[C@@H]12)C3 254076546 IURJXDRUVNGNGB-DXMIGZMZSA-N 332.484 4.101 0 1 EIAF CCc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1Br 586977662 OMNGRSWINCELDZ-UHFFFAOYSA-N 345.196 4.253 0 1 EIAF COC(=O)c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586993225 VFLCWUAHSVCHMH-UHFFFAOYSA-N 347.370 4.062 0 1 EIAF O=C1CCc2cc3nc(-c4ncsc4-c4ccccc4)[nH]c3cc2N1 587027340 BYSVOTUAWCDHFH-UHFFFAOYSA-N 346.415 4.238 0 1 EIAF OC1(c2nc3cnc4ccccc4c3[nH]2)CCC(C(F)(F)F)CC1 587124496 AOIWCMFNNUKPIO-UHFFFAOYSA-N 335.329 4.051 0 1 EIAF Fc1ccc(/C=C\c2nc3ccnc(Br)c3[nH]2)c(F)c1 587148222 GRRVNNSLGWROTQ-RQOWECAXSA-N 336.139 4.169 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)cc1C)CC2=O 587473355 SKTQEUDAWAGLQI-FQEVSTJZSA-N 325.408 4.116 0 1 EIAF CC(C)(CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587528599 CMJHQSPPMQKVIZ-HXUWFJFHSA-N 330.424 4.180 0 1 EIAF C[C@@]1(c2cc(C(=O)O)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530283 DSUJZWGUNIWHCH-IBGZPJMESA-N 342.416 4.206 0 1 EIAF Cc1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 587565976 OIYBDRJEWVRSGX-UHFFFAOYSA-N 345.240 4.393 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCCc2ccccc21 963270285 OCUQAZZOHDHKDP-HXUWFJFHSA-N 327.855 4.464 0 1 EIAF C[C@H]1C(=O)O[C@@H](O)c2c(C=O)ccc([C@@]3(C)CCCC(C)(C)C3)c21 1911575088 HYGCWNMAGBVBDV-LIUKBUMOSA-N 330.424 4.008 0 1 EIAF CCCCCC=CCC=CCC=CC[C@@H](O)[C@H](O)CCCC(=O)O 2356432599 GFNYAPAJUNPMGH-RTBURBONSA-N 338.488 4.382 0 1 EIAF CC1(C)C[C@H](O)C[C@@](C)(CNC(=S)c2cccc(Cl)c2)C1 3596332 POMLTJFJGTZZEB-WMLDXEAASA-N 325.905 4.182 0 1 EIAF CCOC(=O)c1oc2cccc(OCCCCNC(C)(C)C)c2c1C 6403599 JBAHFSJPHFPFKG-UHFFFAOYSA-N 347.455 4.465 0 1 EIAF CN(C(=O)c1ccccc1)c1cc(-c2ccccc2)sc1C(=O)O 13589573 IBUFNMKTIXHEFK-UHFFFAOYSA-N 337.400 4.390 0 1 EIAF CCCCCC(=O)Nc1ncnc2oc(-c3ccc(OC)cc3)cc12 14946129 ZYZXVKYLMUKBGC-UHFFFAOYSA-N 339.395 4.417 0 1 EIAF COc1ccc2c(c1)CCN(CCCc1c[nH]c3ccc(F)cc13)C2 29551073 DYJBCVKMYPRGRR-UHFFFAOYSA-N 338.426 4.307 0 1 EIAF CCOC(=O)c1sc2ccccc2c1Nc1ccc(O)cc1O 42887597 MNZYMGHMNLARMD-UHFFFAOYSA-N 329.377 4.233 0 1 EIAF Cc1nn(C(=O)/C=C/c2ccccc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 45337701 PKXVBXQWZXYOGL-XCUIMDOYSA-N 326.827 4.494 0 1 EIAF CNc1ccc(-c2cc3cc(I)ccc3[nH]2)cc1 53298281 IZBJTFYZCLADPY-UHFFFAOYSA-N 348.187 4.481 0 1 EIAF COc1ccc(Cl)cc1C(=S)Nc1cc(Cl)ccc1O 84739999 IGWAKYRWZLCUKP-UHFFFAOYSA-N 328.220 4.495 0 1 EIAF CC(=O)NCCCN1c2ccccc2Sc2cc3ccccc3nc21 96905662 GHXVUHRHLSWZFX-UHFFFAOYSA-N 349.459 4.364 0 1 EIAF COc1ccc(N(C(=O)c2ccccc2)C2=C[C@H]3CC[C@H](C2)N3C)cc1 100484256 HVSYUYPUZPNNHK-RTBURBONSA-N 348.446 4.092 0 1 EIAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)O)CC[C@@H]12 100780665 YQNLDLVKFNZFTI-KIINKYIXSA-N 332.440 4.105 0 1 EIAF endogenous,in-man CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(C)s3)oc2c1 139417149 JHAAWJSAWHKMHF-NSHDSACASA-N 339.420 4.115 0 1 EIAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C=C(C)[C@H]2C)ccc1O 169348839 HUMKWBMQEFNYGB-MPBGBICISA-N 326.392 4.300 0 1 EIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2ccccc2Cl)cc1 299835822 XUCJKCQTBJEHFS-UHFFFAOYSA-O 347.825 4.169 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586881353 WVRIBSDBUOTNLV-AATRIKPKSA-N 334.162 4.030 0 1 EIAF CC[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991835 WYKRQMLXHITPFG-NSHDSACASA-N 343.382 4.161 0 1 EIAF COc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(F)c1 587149986 XNBUYFITKIGHLI-UHFFFAOYSA-N 342.267 4.459 0 1 EIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(F)cc2[nH]1 587201124 GPFMQRHLEOFEDF-UHFFFAOYSA-N 335.423 4.283 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3[nH]2)cn1 587246610 DBFHMCLAHPRUKH-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C)c(C=O)c(C)c1C)O2 587404020 CEGYVZWKYDVYFD-LJQANCHMSA-N 337.419 4.330 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc4ccc(O)cc14)[C@@H](C2)C3=O 587448783 GBEFUTKNVJIMOB-UWJYYQICSA-N 332.355 4.043 0 1 EIAF Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600618 BLRSXQAPAGANKZ-NQIIRXRSSA-N 332.355 4.404 0 1 EIAF C[C@H](O)CCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834521 SBNHGKTZHXJYPE-OHUAYANFSA-N 344.268 4.105 0 1 EIAF COc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)cc2C)C(=O)N3)nc1 653754925 SIHVZXKACANMML-YVLHZVERSA-N 345.402 4.195 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)s1)N(C)[C@@H](C)C2 962638664 XEZSABXRPFPQIH-DYZYQPBXSA-N 337.872 4.385 0 1 EIAF CC(=CCOC(=O)C=Cc1ccccc1)COC(=O)c1ccccc1 2356399375 UDRKLFFABVBHGI-UHFFFAOYSA-N 336.387 4.046 0 1 EIAF CC(=O)OC[C@@]12C=C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@]4(C)[C@H]3CC1)C2 2356663767 UZCNEKYYWBFMSI-OGVIVNNGSA-N 346.511 4.491 0 1 EIAF CN(c1ccc2c(-c3ccccn3)noc2n1)c1ccc(F)cc1F 206054908 AZZFUHWDPZWTOH-UHFFFAOYSA-N 338.317 4.331 0 3 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)C(=O)c1occc1CC3 338334 HBYGDSOCXWYJLK-ORYQWCPZSA-N 342.435 4.485 0 1 EIAF biogenic C[C@@H]1C[C@@H](O)[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 4716541 XWKYXEIGWQYOCY-WNRRLTEBSA-N 332.440 4.047 0 1 EIAF CC(=O)OC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1 15257203 HGIQTDGMLIBTAD-HXUWFJFHSA-N 337.375 4.063 0 1 EIAF biogenic Cc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2C)on1 27521240 MSZCXECQVJYWGM-UHFFFAOYSA-N 342.439 4.168 0 1 EIAF O[C@@]1(c2ccccc2)C2=NCC3(CCCCC3)CN2c2ccccc21 34249466 AZOFEEBDCBWTBM-JOCHJYFZSA-N 332.447 4.105 0 1 EIAF CCOC(=O)c1cc(-c2cccc(OCc3ccccc3F)c2)on1 45258915 KDSBLOZIOYBQNN-UHFFFAOYSA-N 341.338 4.236 0 1 EIAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ccc(Cl)cc3)cc2)S1 45372620 LSKLPNJNZITQGC-AWEZNQCLSA-N 333.796 4.026 0 1 EIAF COc1cc2c(ccn2-c2ccc3ncccc3c2)c(OC)c1OC 72141479 TZBDEBKSYKWJPI-UHFFFAOYSA-N 334.375 4.205 0 1 EIAF CC[C@H](C)c1cc([C@H](O)C(F)(F)F)cc(Br)c1O 84688425 YUXYLDKDKHCOSN-KGFZYKRKSA-N 327.140 4.264 0 1 EIAF O=C(N1CC[C@H](c2c[nH]c3ccc(F)cc23)C1)C1(c2ccccc2)CC1 84713975 CWZYFEBDHMXLMW-HNNXBMFYSA-N 348.421 4.355 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(Cc3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921484 XSGUWAKXYGKJRX-YSFYHYPLSA-N 349.474 4.017 0 1 EIAF Cc1nc2ccc(O)nc2n1-c1ccccc1SC(F)(F)F 118266631 KFELIYWRFXZXNX-UHFFFAOYSA-N 325.315 4.046 0 1 EIAF CN(Cc1ccccc1)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169321579 WHZYVHUQWFFJGF-GCJKJVERSA-N 345.490 4.362 0 1 EIAF Fc1cccc(F)c1CSc1nnc2c(n1)[nH]c1ccccc12 299821986 CUMCNZBLDPSJJY-UHFFFAOYSA-N 328.347 4.077 0 1 EIAF CCCc1sc(=N)[nH]c1-c1nc2cccc(C(F)(F)F)c2[nH]1 587013599 SOSUNYZUWNGUPJ-UHFFFAOYSA-N 326.347 4.070 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)ncc(Cl)c2[nH]1 587072671 UOIGTGOWPWEMFH-UHFFFAOYSA-N 340.597 4.344 0 1 EIAF COc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2n1 587112596 OHYFTRKAGOYKQH-UHFFFAOYSA-N 344.296 4.201 0 1 EIAF Cc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587377948 QQPAQPAKJMHXTQ-INIZCTEOSA-N 346.224 4.355 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4C[C@@H]1C)[C@@H](C2)C3=O 587423553 VQGUVTIDWOSPSY-JFAKPTSDSA-N 340.806 4.184 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(CC(C)C)[C@@H](C2)C3=O 587445146 ZJZOPKALBKAQNG-AVRDEDQJSA-N 336.431 4.470 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccncc1)CC2=O 587470827 MKGSYERMDGAYSM-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(O)cc1)CC2=O 587480876 LKZRQHQGPGIAJJ-FQEVSTJZSA-N 326.392 4.321 0 1 EIAF Cc1c(-c2ccc(F)cn2)[nH]c2c1c(Br)cc1n[nH]cc12 587622187 CJZRIOZZBRFKNZ-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF COc1cc2c(cc1OC)[C@@H](c1cccc3ccncc13)N(C)[C@@H](C)C2 962634487 UKTYDBWXUQUNIT-RCDICMHDSA-N 348.446 4.218 0 1 EIAF CN1CC[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@@H]2CCC[C@@H]21 962669776 SNTXTGFIFHWABM-XPWALMASSA-N 332.491 4.199 0 1 EIAF Cc1cc(C)cc([C@]2(C3CCC3)NCCc3nc4ccccn4c32)c1 962986586 IZCDCHMANNQJGP-QFIPXVFZSA-N 331.463 4.141 0 1 EIAF CN1C(=O)C[C@H]2CN[C@@]3(C=C4CCCC[C@@]4(C)CC3)c3cccc1c32 963035516 RXNQGDMDZKYQFH-RXYZOABWSA-N 336.479 4.236 0 1 EIAF C[C@]1([C@@H](O)c2cccc(Cl)c2)c2c(F)cccc2C[C@@H]2CCCN21 963117580 XCEFZYLJSFJEES-FFZOFVMBSA-N 345.845 4.448 0 1 EIAF Clc1nc2c(-c3ccccc3)cccc2c(=NCc2ccccn2)[nH]1 1857581320 CWFDAQYLTIHPIJ-UHFFFAOYSA-N 346.821 4.379 0 1 EIAF Brc1cccc2cc3c(nc12)-c1nc2ccccc2n1C3 1857763739 YAPBUQCMVBMYHM-UHFFFAOYSA-N 336.192 4.376 0 1 EIAF Cc1ccc2c(c1)ncn2-c1ccnc(N[C@@H](C)c2ccccc2)n1 8941 KZJRKSJESGJFTL-HNNXBMFYSA-N 329.407 4.297 0 1 EIAF O=S1(=O)c2ccccc2[C@@H](Nc2ccccc2)N1c1ccccc1 1645626 VXCHCAXOIAGERL-IBGZPJMESA-N 336.416 4.006 0 1 EIAF CCCNc1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1 2014412 UEUPRZCTPBMDAE-UHFFFAOYSA-N 331.634 4.187 0 1 EIAF CC1(C)O[C@](C)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC[C@H]1CO 13215341 MJYYHAFJMFJSDR-FVMDXXJSSA-N 343.254 4.282 0 1 EIAF CNc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673135 YIHJWSQMZAFBKL-HRQPNYTOSA-N 340.467 4.141 0 1 EIAF CCC1=C(C)C(=O)[C@H](C)[C@H](C(C)[C@@H]2OC(CC)=C(C)C(=O)[C@@H]2C)O1 14588312 XUSGTPVFBNKUFL-ISZNXKAUSA-N 334.456 4.199 0 1 EIAF biogenic O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCCC1 26175717 CKIYCTGLHYYNTO-OUKQBFOZSA-N 331.419 4.027 0 1 EIAF CCC/C=C/COC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26387205 VYMTVUHJJJHELN-XFTSCBPYSA-N 336.472 4.354 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1cccs1 27079577 DKSMZQWZXMSCTB-UHFFFAOYSA-N 331.368 4.315 0 1 EIAF CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OCC)c1OC 28361827 IWAIZEWVBULHQG-UHFFFAOYSA-N 340.375 4.266 0 1 EIAF COc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1 40894899 WDRNAEVAOMLYRK-UHFFFAOYSA-N 346.312 4.310 0 1 EIAF COCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21 72119833 UPQGJGUWDNSFCX-UHFFFAOYSA-N 330.387 4.067 0 1 EIAF Oc1ccc(-c2cc3c(NCc4cccc(F)c4)ncnc3[nH]2)cc1 73196657 BQECKBKOOADETI-UHFFFAOYSA-N 334.354 4.082 0 1 EIAF C[C@H](O)Cc1nsc(Nc2cc(Cl)c(Cl)cc2Cl)n1 82047169 PBIUUQYEWOWKHW-YFKPBYRVSA-N 338.647 4.165 0 1 EIAF N#Cc1cccc(-c2nc(N)sc2C(=O)c2ccccc2Cl)c1 113254824 GJHSTPMWWOTPKK-UHFFFAOYSA-N 339.807 4.148 0 1 EIAF CC(C)C[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 142167277 KYFXTTZDXSYKRG-ZBFHGGJFSA-N 340.427 4.021 0 1 EIAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(CO)CCC4)cc3)cc12 219355230 ZGFPYTOFALGVHM-UHFFFAOYSA-N 339.366 4.086 0 1 EIAF CN1C[C@](O)(c2ccc(C3CCCCC3)cc2)O[C@H]2CCCC[C@H]21 473119350 ASKGIKIBLKGDPF-QHAWAJNXSA-N 329.484 4.153 0 1 EIAF O=C1CSc2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cc2N1 587044138 PVSKLZAQRKTZSE-UHFFFAOYSA-N 349.337 4.293 0 1 EIAF Cc1c([C@@H]2CCCNC2)nc2cccc3c2c1-c1ccccc1C3=O 587105872 GDTQLTUNSAJJBC-CQSZACIVSA-N 328.415 4.222 0 1 EIAF C[C@H](c1nc2cnccc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128409 LXIZHVOZFVGDKF-RXMQYKEDSA-N 347.703 4.292 0 1 EIAF OCc1ccc(F)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587140120 GOYGVKLEEGRGBR-UHFFFAOYSA-N 348.377 4.440 0 1 EIAF c1ccc(CN2C[C@@H]3Cc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 587211298 CNIBDNTXMMHBKV-PXNSSMCTSA-N 326.443 4.105 0 1 EIAF CCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400124 NWXZXVRAEWLJPA-FQEVSTJZSA-N 325.408 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587448150 ZKLYRZGJGILSOX-PGRDOPGGSA-N 334.415 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CCCCCC(=O)O)CC2=O 587479836 CSVAOBWOGUFEGH-LJQANCHMSA-N 334.412 4.104 0 1 EIAF O=C1C[C@@](c2ccccn2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587516116 UXUHLSDTRMGZDL-IFMALSPDSA-N 349.430 4.000 0 1 EIAF Cn1nc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516815 WUORDTUJSIFNIL-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587789000 BHPJOONQFONAKV-BCTVWOGZSA-N 337.236 4.157 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C)nc4[nH]3)c2)c1 587933102 UXAKHDMUOZMJEP-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587936263 KFOYOTFQNTWTAS-PIGZYNQJSA-N 330.815 4.370 0 1 EIAF Clc1ncnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587954732 BSKSXRJRTPPZSS-OAHLLOKOSA-N 334.810 4.381 0 1 EIAF C/C(=C/c1nc2ccc(OCCN(C)C)cc2[nH]1)C1CCCCC1 587966326 CAHLFXRETDGXTJ-SQFISAMPSA-N 327.472 4.487 0 1 EIAF OC(CCO[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)(C(F)(F)F)C(F)(F)F 2356454043 WZDOVQNCWWVIHL-PZWNZHSQSA-N 346.311 4.074 0 1 EIAF COC1=CC2=CC[C@@H]3[C@H](C(=O)C[C@@]4(C)[C@@H]3CC[C@]43CO3)[C@@]2(C)CC1 4024201 AKWAWNXESMOSLR-WARACUEISA-N 328.452 4.037 0 1 EIAF biogenic C[C@@H](O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671467 PZBUGHMAFKALLO-BCEXFKAASA-N 348.527 4.364 0 1 EIAF Cc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673110 ZMFUPPRTLMBMMF-ATEXLJOTSA-N 325.452 4.407 0 1 EIAF CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 28572638 WFFMEXQHWXEKBV-SFHVURJKSA-N 328.362 4.087 0 1 EIAF in-vivo CC(C)c1cc([C@]2(C(F)(F)F)NC(=O)N=C2O)cc(C(C)C)c1O 38343060 RIDRNDNMDLZPAW-HNNXBMFYSA-N 344.333 4.076 0 1 EIAF COc1ccc2cc(C(=O)[C@H]3CN=C4C=C(C)C=C(C)N4C3)ccc2c1 49803292 ZWLXIQPPWIUSGY-IBGZPJMESA-N 346.430 4.225 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)C2 100897414 PWSUMDGDQAYHSM-ZNDPDKIASA-N 348.490 4.155 0 1 EIAF COc1ccc2c(c1)[C@@H]1CN(C)[C@@H]2Cc2ccc(Br)cc21 169360172 MADYOGGTQRFFQO-QZTJIDSGSA-N 344.252 4.132 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccsc3)c2)C[C@@H]2CC[C@@H]1N2C 169369625 OECDZVROWVHNGS-ZSYWTGECSA-N 341.476 4.154 0 1 EIAF O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1CCC1CCCCC1 299862541 NIQJKSJIAFMNJF-IBGZPJMESA-N 348.918 4.391 0 1 EIAF O=C1c2ccccc2-c2cc(-c3cscn3)nc3ccc(O)c1c23 586994198 PMLFWTIEUDCHBY-UHFFFAOYSA-N 330.368 4.275 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2C1 587033127 DKUVXKBMXCAFNY-ABKXIKBNSA-N 326.425 4.140 0 1 EIAF COc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(Cl)n1 587083764 KGAMQVHARMFQFQ-UHFFFAOYSA-N 345.683 4.445 0 1 EIAF C[C@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C 587192508 UXKLLWUCWUKVHS-GFCCVEGCSA-N 336.464 4.332 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3ccc(F)cc31)O2 587384993 QVDCYFJXWDMWGL-GOSISDBHSA-N 329.396 4.073 0 1 EIAF COc1ccc2occ([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587412777 OQYVXIYIWDLXPW-FQEVSTJZSA-N 337.375 4.213 0 1 EIAF CCCCCn1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 587476128 PKAXRXHJGMPZDK-LJQANCHMSA-N 342.439 4.438 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(O)c(C)c1)CC2=O 587489612 OMQOVAAGVNPBDZ-GOSISDBHSA-N 326.392 4.374 0 1 EIAF Cc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587535228 JOMKYGSKXVPBBQ-SFHVURJKSA-N 336.387 4.309 0 1 EIAF Cc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611810 UHEHDVUABDWZPY-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(F)F)CC2)N1 587717762 MHXDWZSJKCWFSD-JMCQJSRRSA-N 334.179 4.209 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2F)N1 587737252 DLIOVRYUZSUHJQ-BCQZVRRWSA-N 330.216 4.230 0 1 EIAF COc1ccc(-c2ccc(-c3nc4cccnc4[nH]3)c(O)c2)cc1OC 587927608 SOUCFPXSVRJGTD-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@](C)(c1ccccc1)O2 2356341750 VVRRONQTBZDWOB-OAQYLSRUSA-N 338.403 4.487 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C=C4OC(=O)C=C4[C@H](C)[C@@H]3CC[C@H]12 2356368559 MKJJWVLPTZDSTH-FJKKNBDQSA-N 344.451 4.015 0 1 EIAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61906218 HRYCAYKWVTYVCU-QGZVFWFLSA-N 335.350 4.483 0 3 EIAF CCOC(=O)NCCc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 28891176 ZAUOTKKXBAYREM-UHFFFAOYSA-N 335.407 4.032 0 1 EIAF Cc1cc(F)ccc1C1=Nc2c(F)cccc2S[C@H](C(=O)O)C1 28976863 MDJFOEHBYCYDTD-HNNXBMFYSA-N 333.359 4.343 0 1 EIAF CN(C)CCCN1c2ccccc2CCc2cc(O)c(Cl)cc21 38421485 QXZNSJJZRXNDJQ-UHFFFAOYSA-N 330.859 4.234 0 1 EIAF world O=c1[nH]cc(-c2cccc(Cl)n2)c2sc(-c3ccncc3)cc12 72177724 XLLVPOMMEDHXJQ-UHFFFAOYSA-N 339.807 4.367 0 1 EIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(C)cc3)C2)cc1 73295080 VPPXRIQJRSEVGR-SFHVURJKSA-N 349.459 4.084 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OCC3CCCC3)c(Cl)c2)S1 96282294 GXEAVBIAVRYXET-ZSOIEALJSA-N 337.828 4.233 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060942 QVIXLSYROOSFHA-WOJBJXKFSA-N 342.433 4.269 0 1 EIAF CCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 114632695 IEMTVKNBLLIQNP-UHFFFAOYSA-N 347.480 4.213 0 1 EIAF O=C(Nc1nccc2nn(-c3c(Cl)cccc3Cl)cc12)C1CC1 204839017 LWYNDDAUIAEHOA-UHFFFAOYSA-N 347.205 4.076 0 1 EIAF COC(=O)[C@@]1(C)CCCC2=C1CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 238788144 OGGDWNYFVSIVRK-OREJSRFESA-N 346.467 4.346 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586888932 KQWWEGNQOBXKTP-BMIGLBTASA-N 335.329 4.122 0 1 EIAF CC[C@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1 586892772 WHYGUNXBPDJUIK-NOZJJQNGSA-N 326.181 4.071 0 1 EIAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 587032829 BICKECHTZWKQRJ-JTQLQIEISA-N 326.421 4.203 0 1 EIAF Cc1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587043144 PFUKRMGSHOVZSK-AWEZNQCLSA-N 343.839 4.180 0 1 EIAF CCc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587111623 NFFDRHGANVZNRI-UHFFFAOYSA-N 347.340 4.074 0 1 EIAF FC(F)(F)c1ccc2ncc(-c3nc4c(Cl)ncnc4[nH]3)cc2c1 587112324 LNZQXYSCGFCJJO-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF Nc1c(F)c(F)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F 587136054 AQLPBLTWGOZTOF-UHFFFAOYSA-N 347.218 4.128 0 1 EIAF Nc1ccc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)cc1 587251806 OKWIFNCGKUGVFL-BAQGIRSFSA-N 332.176 4.217 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3C[C@H]32)[C@H]1c1ccc(F)cc1 587356179 ZCTLFKFTHDSKLO-DNAPSTMVSA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(Cl)cccc13)O2 587378438 CDQYCQKERJLMPV-MRXNPFEDSA-N 326.783 4.418 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CO[C@H](C)c1ccccc1)CC2=O 587488228 IMMCIPMRTFDONM-ZBFHGGJFSA-N 340.419 4.456 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccnc(C)c13)CC2=O 587488429 ZMLDKRATUXFCBQ-GOSISDBHSA-N 336.391 4.236 0 1 EIAF O=C1C[C@@H](c2cc(Cl)cnc2O)Oc2c1ccc1c2CCCC1 587500539 PUZDWDBXISEOJD-INIZCTEOSA-N 329.783 4.026 0 1 EIAF FC(F)(F)Oc1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587565589 FKHGQTPZYDSGIV-UHFFFAOYSA-N 336.313 4.221 0 1 EIAF C[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616904 HFACJRIXFSKYNZ-QFBILLFUSA-N 338.384 4.331 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2F)N1 587737254 DLIOVRYUZSUHJQ-LYSGOOTNSA-N 330.216 4.230 0 1 EIAF O=C(O)[C@H]1CNCC[C@H]1CC/C=C/c1ccccc1-c1ccccc1 653717812 BIHFSXOKUKWWGY-NRENVXOHSA-N 335.447 4.457 0 1 EIAF CC(C)c1nn(C)c2c1[C@@H](c1cccc(-c3cccc(O)c3)c1)NCC2 962917226 LSEVPKAJOJQQIW-JOCHJYFZSA-N 347.462 4.151 0 1 EIAF Fc1ccc2c(c1)OCC[C@]21NCCc2c(Cl)cc(Cl)cc21 963109831 OWEXVVCPCZKXKG-KRWDZBQOSA-N 338.209 4.304 0 1 EIAF COc1cccc(C[C@H]2CCC[C@@]3(C2)NCCc2ccc(O)cc23)c1 963344085 YGXKJTYLTRCZLE-VGSWGCGISA-N 337.463 4.175 0 1 EIAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2ccccc2)N1c1ccc2nc[nH]c2c1 1772637507 BAQVUMRXZYSJPC-MBOZVWFJSA-N 327.387 4.009 0 1 EIAF CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(F)F)C2 1911585454 OJNIRUHGOPLXSD-XLRIHDRJSA-N 346.465 4.188 0 1 EIAF CCCC(=O)c1c(O)ccc2c1Oc1cccc(O)c1[C@H]2C[C@@H](C)O 2356834828 KEYSMLGWCOGLMJ-YPMHNXCESA-N 342.391 4.089 0 1 EIAF COc1cccc(-c2c[nH]c([C@H](O)c3ccc(Cl)cc3C)n2)c1 61896209 VLMLQSVXGBZJMX-QGZVFWFLSA-N 328.799 4.129 0 3 EIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccccc3)cs2)c1 61906033 JOIHZURXQLDSSE-GOSISDBHSA-N 338.432 4.044 0 3 EIAF COc1ccccc1-c1csc([C@@](C)(O)c2cccc(F)c2)n1 61907529 ZAAPAVLABYFPOU-SFHVURJKSA-N 329.396 4.214 0 3 EIAF Brc1ccccc1Nc1nc2ccccc2n2cncc12 13441443 NSNBJOXYRSAGDL-UHFFFAOYSA-N 339.196 4.389 0 1 EIAF Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1-c1ccccc1 13553656 IIWBQXFVMVWJRZ-UHFFFAOYSA-N 327.383 4.392 0 1 EIAF CCC1=CCCN(CCc2c([C@@H](C)C(=O)OC)[nH]c3ccccc23)C1 14693889 DRHDOHYLFULXFT-OAHLLOKOSA-N 340.467 4.029 0 1 EIAF biogenic CC(C)=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O 14806886 HXGGEGJYNMWHAD-GOSISDBHSA-N 340.375 4.149 0 1 EIAF biogenic,in-vitro CCCCOC[C@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F 26645208 KFBUHNDQDVQDGC-CABCVRRESA-N 336.394 4.314 0 1 EIAF CCc1ccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc2c1 35087097 DDCPBUQLRUHUEZ-UHFFFAOYSA-N 341.794 4.445 0 1 EIAF C[C@@H]1CCCC[C@@]12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O 40849134 VYEYDYUNTJWMSG-QLJPJBMISA-N 341.238 4.276 0 1 EIAF CCCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1 40949953 SDGDFZNDYAACDO-UHFFFAOYSA-N 336.395 4.328 0 1 EIAF CC(=O)[C@H](CCCCCCC(=O)O)CCCC1(O)CCCCC1 59902510 JZGVOSNXBKTOPK-QGZVFWFLSA-N 326.477 4.482 0 1 EIAF COCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21 72118273 DXGSMGNKLUGXSZ-UHFFFAOYSA-N 330.387 4.067 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@]12C=C3C 104365362 OFNWUWHDGCNABD-YRCTWBNTSA-N 346.511 4.489 0 1 EIAF in-man COc1cc2cncc(Cc3ccc4ccccc4n3)c2cc1OC 145088981 MSLBBVBQDGUFJE-UHFFFAOYSA-N 330.387 4.391 0 1 EIAF O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Oc2cc(O)cc(O)c21 198781612 MGRFJIPBXILYNQ-ZDUSSCGKSA-N 325.147 4.111 0 1 EIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](OC)[C@@H]2OC 238743429 QIOWNWWZXNWWMP-OFELHODLSA-N 330.468 4.191 0 1 EIAF COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@@H]1CC[C@@H]2C(C)C)OC4 263636836 IUFGEQBIXNEGRY-KAERKCPTSA-N 332.484 4.363 0 1 EIAF FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(Cl)cc3)[nH]c12 587069992 NYRPMUJBCBQRMD-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF CN(C)C(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087747 ONOSNMCXRSUSAG-UHFFFAOYSA-N 338.798 4.066 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587162262 AIONMOGGVUIPFE-ZDUSSCGKSA-N 339.201 4.055 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c2c1 587174857 MRXOJJMVJIQRHF-UHFFFAOYSA-N 335.169 4.476 0 1 EIAF CC(=O)c1c(C)cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587404341 DTEWOAGYVJNYRZ-SFHVURJKSA-N 337.419 4.412 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c[nH]1 587550406 AGHHCKPVWOVHGU-CRAIPNDOSA-N 341.750 4.077 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(F)F)CC2)N1 587717799 MHXDWZSJKCWFSD-KRTXAFLBSA-N 334.179 4.209 0 1 EIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587775371 ZMYFSFRFMJTEKF-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CC(C)[C@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818503 DZAQKDMJKWTZRA-NSODJVPESA-N 326.253 4.384 0 1 EIAF CSc1ccccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876635 SFGQIWRCBFCUCJ-UHFFFAOYSA-N 326.352 4.205 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587960905 OCAXWBHGJXFOKR-JSGCOSHPSA-N 340.810 4.349 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc2[nH]ncc12 962396326 FYCCHMUCCAIEMD-HXUWFJFHSA-N 348.475 4.111 0 1 EIAF CCCn1ncc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1C 962711095 SXGJDDMGZZORJF-IBGZPJMESA-N 341.480 4.404 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(F)cc(C(=O)O)c2)N1 962951944 JKUIIPMCTOLRCT-KSSFIOAISA-N 338.382 4.019 0 1 EIAF Oc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 1857564782 JNJMDCMRJOXGIQ-UHFFFAOYSA-N 332.403 4.466 0 1 EIAF CC[C@@H]1C[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@@H]4CCN(C2)[C@@H]13 2356787476 UYDUJNIYABBEKZ-QJTGOUBOSA-N 340.467 4.014 0 1 EIAF CCCCC(=O)N(Cc1ccco1)[C@H](CC)C(=O)NC1CCCCC1 2356815457 CRTYTAYMYIAJKE-GOSISDBHSA-N 348.487 4.026 0 1 EIAF CC(C)Sc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1 13556490 ZNKDMRCEIFKUGG-UHFFFAOYSA-N 329.252 4.168 0 1 EIAF COc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 13730108 MQWNWBIMTZBMCY-UHFFFAOYSA-N 325.452 4.124 0 1 EIAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCCCc2ccccc2)C1 13782823 FVMATSHOWXOARI-JOCHJYFZSA-N 349.474 4.198 0 1 EIAF Cc1ccc2c(c1)[C@@H](SCCN1CCOCC1)c1ccccc1O2 25974065 PUYTYGJFWIQNEM-FQEVSTJZSA-N 341.476 4.256 0 1 EIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 26392276 YFWPHJWDVIVLDC-SSEZJGRHSA-N 343.511 4.175 0 1 EIAF COc1ccc(N2C(=O)/C(=C(/C)N(C)C)c3ccccc32)cc1Cl 27517476 XYHQTPVXJLEZJW-PDGQHHTCSA-N 342.826 4.320 0 1 EIAF CN(C(=O)Nc1ccccc1)[C@@H]1c2ccccc2Oc2ncccc21 28013512 ZJDLFIPECFFCTO-GOSISDBHSA-N 331.375 4.441 0 1 EIAF C[C@@H](COC1C[C@@H]2CC[C@H](C1)N2C)Sc1ccc(Cl)cc1 29463419 IOIRIZAMLJCKNZ-NTQSIJHJSA-N 325.905 4.462 0 1 EIAF C[C@H]1CCCCN1CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 31848129 QLCJNTZIHPFEPH-HNNXBMFYSA-N 348.450 4.043 0 1 EIAF O=C(Oc1nc(-c2ccccn2)no1)c1ccc(-c2ccccc2)cc1 40393052 QVEWIBAYDQPJFL-UHFFFAOYSA-N 343.342 4.018 0 1 EIAF Brc1cccc(Nc2ncnc3cc4c(cc23)CN4)c1 40981226 VMZQBBNGXKVWNT-UHFFFAOYSA-N 327.185 4.061 0 1 EIAF COc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)c(C)[nH]c2c1 45187424 FRVNFPFCWVNHQR-UHFFFAOYSA-N 349.308 4.411 0 1 EIAF CN(C)c1ccc(NC(=S)Nc2ccnc3c(F)cccc23)cc1 71340756 DQCPOIDWNDGGKE-UHFFFAOYSA-N 340.427 4.249 0 1 EIAF COc1cccc(OC)c1CNc1cc2c(cn1)[nH]c1ccccc12 72176779 ZZAAAFCAKUUFKI-UHFFFAOYSA-N 333.391 4.345 0 1 EIAF COc1cccc(-c2n[nH]c3ccnc(-c4ccccc4OC)c23)c1 82082919 MUXPCNLFAOSVPG-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 84714887 QUSJHWWZBZTSAD-GPYRIXEGSA-N 347.499 4.323 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@H](C)[C@@H]3O 103110011 DECWLUDQIFLZNV-JQFGBOROSA-N 334.500 4.179 0 1 EIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 103954876 SCSCVHOEZLJPSL-ZDUSSCGKSA-N 339.420 4.118 0 1 EIAF O[C@@H](C[C@@H]1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1 205771452 FPKRCRNJVIHTNG-ZBFHGGJFSA-N 336.357 4.169 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2cc(Cl)c(Cl)nc2[nH]1 586881393 FBYINNHUQAKXHG-WAYWQWQTSA-N 334.162 4.133 0 1 EIAF Cc1cc(F)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005324 SUCFAIBTVFKTTM-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF COC(=O)[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097130 IPOJXEVFKMCKBL-GFCCVEGCSA-N 331.371 4.031 0 1 EIAF COc1c(F)ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1N 587133200 LYCQQXNXYNNJDR-UHFFFAOYSA-N 343.255 4.118 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 587235719 PPYLIINXKRFPRO-CHWSQXEVSA-N 333.407 4.253 0 1 EIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4ccccc4cc3[nH]1)C2 587247597 ULZBFDDQTLDKQM-QFIPXVFZSA-N 343.430 4.068 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O 587424711 STBVHVBBLUNPDA-BUXKBTBVSA-N 346.785 4.459 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4ncccc4C)C1)[C@@H](C2)C3=O 587435234 DUJNXTOQNDHIGK-ICSGCJEQSA-N 349.430 4.243 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(F)c(C)c1)CC2=O 587465194 BULPAPKLHFXNOP-SFHVURJKSA-N 342.366 4.009 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ncc1F)CC2=O 587473168 XWQSPNRHUZFJHW-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF CSc1nn2cc(-c3nc4c(OC(C)C)cccc4o3)nc2s1 653765002 VNOFYRNHPDZHDS-UHFFFAOYSA-N 346.437 4.108 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@H](C)Cc1ccccc1 963046044 ICOJAWPOCTTZMS-QVKFZJNVSA-N 332.447 4.309 0 1 EIAF Cc1cc(C)c(-n2ccc([C@H]3NCCc4c(C)ccnc43)c2)c(C)c1 963083501 CNARGBOYKNZBES-HXUWFJFHSA-N 331.463 4.341 0 1 EIAF Cn1ccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1C(F)F 963110317 QORMGFKHRLSJNB-BFUOFWGJSA-N 334.385 4.386 0 1 EIAF COc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 1772602550 LPOVXFJSARSAMN-UHFFFAOYSA-N 332.359 4.477 0 1 EIAF Cc1cnc([C@H](CC(=O)O)c2cc(F)cc(-c3ccncc3)c2)s1 1772641268 KEYKPSAPVKCXGS-MRXNPFEDSA-N 342.395 4.259 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@H]1CCN1 1857571590 KDUCRLNKTPIPLA-TWGZSJHRSA-N 329.528 4.288 0 1 EIAF Oc1ccc(F)cc1-c1cncn1Cc1cc2cc(F)ccc2[nH]1 1857752983 AOVCXKFOAYKQOI-UHFFFAOYSA-N 325.318 4.064 0 1 EIAF NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(Cl)c2s1 26581 NLYNEHVCNWNHNP-UHFFFAOYSA-N 339.203 4.494 0 1 EIAF Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl 3815159 DXPXPVHLPOANFF-UHFFFAOYSA-N 349.619 4.372 0 1 EIAF COc1ccc([C@@H](O)CC2CCN(Cc3ccccc3)CC2)cc1 13729966 VQGUXXCQJVXIGH-NRFANRHFSA-N 325.452 4.031 0 1 EIAF CCCCC[C@H](O)CCCCC[C@H](O)Cc1cc(O)cc(OC)c1 14772299 JTFPNHYBWFZKEX-ROUUACIJSA-N 338.488 4.196 0 1 EIAF biogenic COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C=CC=C[C@@H]12 17213085 OVHUTOPKMFWCLP-RJVLYZLMSA-N 342.049 4.006 0 1 EIAF CS(=O)(=O)c1ccc(-c2sncc2-c2ccc(F)cc2)cc1 27998673 RTLNMGAQEOBANE-UHFFFAOYSA-N 333.409 4.020 0 1 EIAF O=C(CCC[C@H](O)c1ccccc1)NCCC1=CCc2ccccc21 28567785 PGWPCIPGEIHMJD-NRFANRHFSA-N 335.447 4.036 0 1 EIAF C(CCCCCCNC1=NCCC1)CCCCCNC1=NCCC1 28865576 IUGLXKSMWKGVBH-UHFFFAOYSA-N 334.552 4.451 0 1 EIAF C[C@@]12CC[C@H]3[C@@](CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 40878489 FUMGUTQYADOMBS-VJMZCAKNSA-N 334.456 4.027 0 1 EIAF COc1ccc2c(c1)[C@@]13CC[C@@H](C)C[C@@H]1[C@@H](C2)N(CC1CC1)CC3 58506708 QXUTYQGRNHORHX-FJGOKHBRSA-N 325.496 4.410 0 1 EIAF CCCSCCCNC(=O)Nc1cc(OC)c(Cl)cc1OC 66079521 DJJADYFBNLANOC-UHFFFAOYSA-N 346.880 4.012 0 1 EIAF O=C(CCc1ccccc1)Nc1cc(COCc2ccccc2)ccn1 95589140 BWCMKPAPVKFJPR-UHFFFAOYSA-N 346.430 4.370 0 1 EIAF COc1ccc([C@@H](OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 100737999 AFWLTZMAQCSANY-KNKQGSTJSA-N 337.463 4.426 0 1 EIAF C[C@H](Nc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1 169344365 CNLFZJZWNUVEJW-QMMMGPOBSA-N 348.237 4.274 0 1 EIAF CC1(C)[C@H]2C[C@@](C)(O)[C@@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)C[C@H]21 195464923 VTOLOYGWYKBTJJ-YTTXUWBFSA-N 338.557 4.091 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccsc3)c2)C[C@H]2CC[C@H]1N2C 253703292 OECDZVROWVHNGS-NCXUSEDFSA-N 341.476 4.154 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587013118 XIRGNWLEAJIFCT-UHFFFAOYSA-N 327.306 4.429 0 1 EIAF O=C(O)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1F 587081396 UQIFQGTZQJVUHI-UHFFFAOYSA-N 343.745 4.057 0 1 EIAF Cc1c(F)cc(-c2nc3c(C)c(Br)cnc3[nH]2)cc1F 587133426 WKYJXUPEYKQMMS-UHFFFAOYSA-N 338.155 4.282 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(C)c(C)c3)c1)O2 587392106 QSHQMFSXOVDCCI-HXUWFJFHSA-N 347.418 4.086 0 1 EIAF Cc1nc(N(C)C)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587535618 MWJMHUCQEJKFHX-INIZCTEOSA-N 342.464 4.103 0 1 EIAF CC(C)=Cc1nc2nc(O)nc(O)c2cc1[C@H](C)c1ccc(C)cc1 587561342 OEYRIBOLMMHYGT-CYBMUJFWSA-N 335.407 4.319 0 1 EIAF Cn1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)n1 587630219 WCHSJTNAQZJKHU-UHFFFAOYSA-N 345.683 4.106 0 1 EIAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cccc(F)c12 587634053 QCQKNVUVHSJZHL-UHFFFAOYSA-N 333.265 4.204 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2F)N1 587730728 XVSHIQIVESYVOZ-FVMDXXJSSA-N 338.195 4.351 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(OC)nc3[nH]2)cc1 587937625 QHIQADCTGQRDNH-IBGZPJMESA-N 345.402 4.155 0 1 EIAF CC[C@@]1(Cc2nc3cccc(OC)c3[nH]2)CC(=O)c2ccccc2C1 587960663 MXQOZKACEMBLEH-NRFANRHFSA-N 334.419 4.340 0 1 EIAF COc1ccccc1-c1nc([C@@H]2NCCc3ccc(F)c(C)c32)co1 962148677 TWBBNNSPEIQINF-IBGZPJMESA-N 338.382 4.033 0 1 EIAF CCOC(=O)CC[C@]1(c2ccsc2)NCCc2c1sc(C)c2C 963028896 QUELOSSPKNJVHY-GOSISDBHSA-N 349.521 4.159 0 1 EIAF Nc1c2c(cc3c1CC[C@@]31c3c(F)cccc3C[C@H]3CCCN31)CCC2 963100573 BQXUGXBSHNANJS-MWTRTKDXSA-N 348.465 4.107 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@@]34CC[C@@H]5CCCC[C@@H]5[C@@]3(C)[C@@](C)(CC4)[C@]21O 2356372894 OJVFKZLWBVUBSM-IQQSKWPFSA-N 332.484 4.211 0 1 EIAF Cc1cccc(Cc2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1 74386076 OAXDMGMSHTZXDK-UHFFFAOYSA-N 343.386 4.024 0 3 EIAF CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1cccc(OC)c1 95554978 BWXLEAFOTTVRLB-SFHVURJKSA-N 338.451 4.428 0 3 EIAF CN(C)CC/C=C1/c2ccccc2COc2ccc(/C=C/C(=O)O)cc21 13455784 NHJNJIIQOOIUFP-YLQCUUEWSA-N 349.430 4.060 0 1 EIAF CCO[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13472054 YMCQNFKWAUISDZ-NRFANRHFSA-N 337.463 4.113 0 1 EIAF Cc1cc(S(=O)(=O)NCC(C)C)c2c(C)ccc(C(C)C)cc1-2 72125924 AOFKCTODGZYZJO-UHFFFAOYSA-N 333.497 4.466 0 1 EIAF Clc1ccc(-c2nc(CNCc3ccncc3)co2)c(Cl)c1 72180422 FWTJMSLEYYJLKF-UHFFFAOYSA-N 334.206 4.333 0 1 EIAF COc1ccc(-c2nnc3ccc(-c4ccccc4)cn23)cc1OC 82082789 GZENBSWUSZSAML-UHFFFAOYSA-N 331.375 4.081 0 1 EIAF COc1cccc(CNc2cc(-c3cc(C)ccc3C)ncn2)c1OC 82161797 DWPUNVBLLWTLOS-UHFFFAOYSA-N 349.434 4.390 0 1 EIAF CN(CCn1c(=O)oc2ccc(-c3ccccc3)cc21)c1ccccc1 84690614 PIYHURGUEDEISO-UHFFFAOYSA-N 344.414 4.398 0 1 EIAF O=C(O)c1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1 95552697 XVEPIZHCRKNZHU-UHFFFAOYSA-N 340.770 4.315 0 1 EIAF CC(=O)c1cccc(C(C)(C)NC(=O)Cc2ccc(Cl)cc2)c1 95579622 MGQOYFQBTSTVOK-UHFFFAOYSA-N 329.827 4.137 0 1 EIAF CCCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cccs1 101832588 KGISTPCBSYXKIQ-MRPLLJTBSA-N 332.429 4.011 0 1 EIAF O=c1[nH]cnc2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 103289629 DNKHMOTYGRQYKW-QGZVFWFLSA-N 326.355 4.209 0 1 EIAF O=C(Nc1ccc(F)cc1)c1ccc(SC[C@H]2CCCCO2)nc1 145069837 UEVBEJRNDQZMQD-MRXNPFEDSA-N 346.427 4.134 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@H]4[C@H]2C[C@H]2[C@@H]4[C@@H]3[C@@H]21 169290664 NVLJYIBBEXBONT-OTTIIXQKSA-N 340.555 4.005 0 1 EIAF Cc1cccc(Nc2sc(-c3cccc(F)c3)cc2C(N)=O)n1 169311913 SEJJQNQCXGAZTA-UHFFFAOYSA-N 327.384 4.100 0 1 EIAF COC(=O)C/C=C\[C@@H](C)[C@@H](OC)c1cc(F)ccc1Br 169330142 RPBLHNKNTOKICO-PLQJPXRRSA-N 345.208 4.031 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](Cl)(c1ccccc1)C(=O)N2 219549328 JXOVITKVSBVDGV-IBGZPJMESA-N 338.794 4.393 0 1 EIAF Brc1cc2c(NCc3cccs3)ncnc2s1 299864661 RSXRHKPNAUVVRK-UHFFFAOYSA-N 326.244 4.127 0 1 EIAF Cc1cnc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587075538 DRRZSLQIXLSSJU-GFCCVEGCSA-N 347.205 4.190 0 1 EIAF COc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1OC 587084919 KMDHZVPLRBEJCD-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF CCOC(=O)[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099324 ZCIGTEUNKSVNDP-CYBMUJFWSA-N 345.398 4.421 0 1 EIAF Cc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F 587113967 PNGWFJZWMUEYJF-ZDUSSCGKSA-N 337.320 4.272 0 1 EIAF COc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587163586 RXZSUJZINSSWLM-UHFFFAOYSA-N 332.762 4.180 0 1 EIAF CC(C)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346637 JWZXARONVGJQFW-ICSRJNTNSA-N 344.382 4.074 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1C)O2 587391488 RQERMJRSOMZQKD-FQEVSTJZSA-N 332.403 4.383 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(Cl)c1Cl)[C@@H](C2)C3=O 587421664 WGKRFUWMJDKBHJ-GTNSWQLSSA-N 335.186 4.491 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccoc3c1)CC2=O 587479859 AOKSJGGDCBEALK-FQEVSTJZSA-N 337.375 4.367 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccccn1)CC2=O 587492096 WSDHODYNYAQXMU-KKSFZXQISA-N 337.419 4.411 0 1 EIAF O=C1C[C@@H](c2nccn2-c2ccccc2)Oc2c1ccc1c2CCCC1 587514603 HJOGUFLECKUJQY-FQEVSTJZSA-N 344.414 4.458 0 1 EIAF O=C(O)c1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587529161 JWEONHUUFTUZNH-JOCHJYFZSA-N 348.398 4.071 0 1 EIAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588187 JYLRGMWSCJOSTK-UWJYYQICSA-N 349.386 4.214 0 1 EIAF COC(C)(C)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797836 XROIHVMWQNTWMR-HWPZZCPQSA-N 344.268 4.153 0 1 EIAF CCOc1ccc(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873957 QMDBVSSVGUTHDZ-UHFFFAOYSA-N 338.338 4.077 0 1 EIAF COc1ccc(CCCc2nc3cc(C)cc(F)c3[nH]2)cc1OC 587925010 INXZPKDPXLACDM-UHFFFAOYSA-N 328.387 4.203 0 1 EIAF Fc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cn[nH]c2)c1 1772573936 SHVDMDQPEQEXDE-UHFFFAOYSA-N 344.393 4.380 0 1 EIAF O=C1Nc2ccccc2C1=Cc1ccc2c(-c3ccc[nH]3)[nH]nc2c1 1857550675 TWURNGNKPCPSAH-UHFFFAOYSA-N 326.359 4.051 0 1 EIAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCC4CCC4)c(CN)c3)ccc12 1857581525 COAPMJAWQNAPQG-UHFFFAOYSA-N 347.462 4.260 0 1 EIAF CN(C)CC(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857757457 DTHQAUOYIQSHBT-UHFFFAOYSA-N 343.430 4.488 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C[C@H]12)OC(=O)[C@H]3C 2356626957 QPYNKFVRSIYHQA-RLUHJODGSA-N 332.440 4.158 0 1 EIAF CC(C=Cc1ccccc1)=CC(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 2356773884 LFSIDNBLRSULJS-SFTDATJTSA-N 339.479 4.454 0 1 EIAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)cc2c1O 13340350 MIWDWORIJPQZQV-UHFFFAOYSA-N 326.348 4.431 0 1 EIAF biogenic COc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1-c1cnco1 13818703 ZTHABKVHJZHMGZ-RUDMXATFSA-N 338.338 4.141 0 1 EIAF Cc1c(C(=O)c2cncnc2)oc2cc(-c3ccccc3)cc(O)c12 27522286 SDPPYBAMSHHTBW-UHFFFAOYSA-N 330.343 4.135 0 1 EIAF CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27561445 IALGVABNIXIPEW-BPLDGKMQSA-N 332.465 4.448 0 1 EIAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@@H]2N3C)cc1 36271753 FGXZPRXFLNGHFB-PSWRPDDJSA-N 349.474 4.475 0 1 EIAF CC[C@@H](COc1ccc(Cl)cc1)OC(=O)NCc1ccccc1 38275396 WKAKARFZGJZVOS-INIZCTEOSA-N 333.815 4.424 0 1 EIAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Cc2ccccc2C1=O 40577111 KTXGYDAKYLDTKK-SLMJMHTRSA-N 346.430 4.155 0 1 EIAF CCn1ccc2cc(-c3cnc(N)nc3-c3cc(F)ccc3O)ccc21 71318346 UAJVKCQHHZISJQ-UHFFFAOYSA-N 348.381 4.212 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1ccncn1)c1ccccc1Cl 72186128 CFTMABGAAUAWHV-QGZVFWFLSA-N 331.202 4.068 0 1 EIAF CCc1ccc(-c2cc(NCc3ccc(OC)c(OC)c3)ncn2)cc1 82161103 OENLECWDMMCHEQ-UHFFFAOYSA-N 349.434 4.335 0 1 EIAF CC1=C[C@H](Nc2ccccc2)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O 299820441 BLEFHFKQPDHEAA-FMKDCVSUSA-N 341.451 4.162 0 1 EIAF O=C(O)c1cc(-c2ccc(O)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 299864460 RHHICHKNUOOTFW-UHFFFAOYSA-N 349.173 4.250 0 1 EIAF Cc1ccc2ccccc2c1-c1nc2nc(Br)c[nH]c-2n1 586884153 QEUSUCCXHUZZRE-UHFFFAOYSA-N 339.196 4.196 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CC[C@@H]3C(=O)C1 586991916 XYJSQBVAGORCKN-GXFFZTMASA-N 341.366 4.086 0 1 EIAF Cc1cncc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017999 VCCAEGHVAQQTEK-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF Cc1ncsc1CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587027617 XODWRMYGDWXOHI-UHFFFAOYSA-N 329.322 4.271 0 1 EIAF Cc1cc(F)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 587147255 IOWJQMKKVCAORL-UHFFFAOYSA-N 342.324 4.356 0 1 EIAF Fc1ccc(/C=C/c2nc3ccc(Br)nc3[nH]2)c(F)c1 587148021 FBQWCYOCBMDQCN-QHHAFSJGSA-N 336.139 4.169 0 1 EIAF CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587151179 QPBJGEZPEBUZPN-VMPITWQZSA-N 342.345 4.117 0 1 EIAF O=C(/C=C\c1nc2cc(Cl)c(F)cc2[nH]1)Nc1ccc(F)cc1 587167820 XHWPRKPDLMMIDV-WAYWQWQTSA-N 333.725 4.146 0 1 EIAF COc1cncc(N)c1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 587253516 BCOBECMBEOYWKY-UHFFFAOYSA-N 348.431 4.367 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(Cl)cc(C)c1O)O2 587373508 DQGNXKNPOGUYOD-OAHLLOKOSA-N 331.799 4.260 0 1 EIAF COc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C 587400360 RCPFGCDIBSWKJJ-SFHVURJKSA-N 325.408 4.218 0 1 EIAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587421736 WZCQKGYYFMOPKG-BFUOFWGJSA-N 344.794 4.236 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O 587428121 WTLZJRMTOCPWEB-BUXKBTBVSA-N 346.785 4.459 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(F)c(C)c1)CC2=O 587465191 BULPAPKLHFXNOP-GOSISDBHSA-N 342.366 4.009 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N=O)CC2=O 587469886 PRSIIRCBZUDEJB-RBZFPXEDSA-N 339.391 4.360 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CC)c1C)CC2=O 587471777 UUUZJIMSOCGKQW-IBGZPJMESA-N 327.424 4.489 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S)c(OC)c1)CC2=O 587491631 MJXCKXHWHHCWEW-INIZCTEOSA-N 344.432 4.349 0 1 EIAF O=C1C[C@]2(C=COc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587510775 WKMXHRMPEZRFSB-NRFANRHFSA-N 336.362 4.471 0 1 EIAF COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587518345 GGMSUKRPMUKJMV-SFHVURJKSA-N 337.419 4.292 0 1 EIAF CCc1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 587653361 GGVQUOHYCAUEFJ-UHFFFAOYSA-N 341.823 4.211 0 1 EIAF Cc1ccnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587773311 QKJJONATXDSGGB-APPDUMDISA-N 349.247 4.089 0 1 EIAF CSC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587846325 QOWNWYCERPNSCR-YMTOWFKASA-N 344.293 4.449 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1F 587861931 YGCZMGXZNAXMHG-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF COc1ccc(/C=C\Cc2nc3ccc(F)c(F)c3[nH]2)c(OC)c1 587929348 NVMUBIVDNUTGCL-ARJAWSKDSA-N 330.334 4.114 0 1 EIAF CCOC(=O)c1ccc([C@H]2NCCc3cc(C)c(F)cc32)c(Cl)c1 962147781 QJRMOSBHJKMFPY-GOSISDBHSA-N 347.817 4.199 0 1 EIAF CC(C)C[C@H](N)COc1ccc(Cl)cc1C(=O)c1ccccc1 1772571674 RFYRKARMSGCOOM-INIZCTEOSA-N 331.843 4.323 0 1 EIAF C=C(/C=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 1772596983 WQNQBHAISDRAIC-VOTSOKGWSA-N 342.391 4.153 0 1 EIAF O=C(O)c1c(-c2cc3cc(Cl)ccc3oc2=O)[nH]c2ccccc12 1857567995 VOYLKOUFUPZBQG-UHFFFAOYSA-N 339.734 4.293 0 1 EIAF CN1C[C@](O)(c2ccc(-c3ccc(O)cc3)cc2)Sc2ccccc21 1857630156 INWYBOFZZGUKPA-OAQYLSRUSA-N 349.455 4.446 0 1 EIAF Fc1ccc(-c2[nH]c3cc(Cl)ccc3c2Cn2cncn2)cc1 1857635669 KAQBFJHLRKBFMF-UHFFFAOYSA-N 326.762 4.267 0 1 EIAF Nc1oc2cnccc2c1Nc1cc(F)c(F)c(Br)c1 1857774275 JPXLTWOBOAVJQR-UHFFFAOYSA-N 340.127 4.194 0 1 EIAF CC1(C)[C@H]2CC=C(CN3CCN(c4cccc(Cl)c4)CC3)[C@@H]1C2 218193 QWQHXLIMSBCLOX-LPHOPBHVSA-N 330.903 4.454 0 1 EIAF CC(=O)CC[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC1=CCOC1=O 13385464 KVLVNKUNUGDPMA-JXFKEZNVSA-N 334.456 4.021 0 1 EIAF biogenic O=C(OCCN1CCCCCC1)C1c2ccccc2-c2ccccc21 13864174 LRWJPNBLJPJZHI-UHFFFAOYSA-N 335.447 4.218 0 1 EIAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@]1(C)O)C2 15221166 CSMYUTLLPHMJQJ-XUVXKRRUSA-N 332.440 4.252 0 1 EIAF biogenic C[C@@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 27899654 NNSRXNWUJQJDLG-YSUSZQEASA-N 347.543 4.094 0 1 EIAF CCCCOC(=O)NCCc1nc(-c2ccc(CC(C)C)cc2)c[nH]1 28891259 PSTZUVCXDOGCSD-UHFFFAOYSA-N 343.471 4.344 0 1 EIAF O=C(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccco1 35190611 FKQADZFMLWROGB-UHFFFAOYSA-N 343.814 4.103 0 1 EIAF COc1ccc(Nc2cc3c(cn2)nc(-c2ccccc2)n3C)cc1 82083060 TVQADQUBJDMBFI-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF CC(C)(C)/C(=C/c1ccc(Br)cc1)C(=O)n1ccnc1 103183226 SHVDROOJUHWNDG-GXDHUFHOSA-N 333.229 4.416 0 1 EIAF O=C(Nc1ccc(CC[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1 117721743 KYVJKKBHTNXODB-OAHLLOKOSA-N 328.843 4.134 0 1 EIAF CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1 253637311 FEMYXLZHLZHXFH-UJKQEGAGSA-N 338.451 4.005 0 1 EIAF CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc(Br)cc2)C1 299853991 SMVPOIGPHSXRQE-WMZOPIPTSA-N 330.269 4.457 0 1 EIAF Cn1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C(F)(F)F)c1 587111711 HBKAQLXQWKTTGX-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120129 SSASTMUCAZVMAI-UHFFFAOYSA-N 334.345 4.014 0 1 EIAF CCCCC(Cl)(Cl)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418998 VWBRAHDYYXDSGU-ABAIWWIYSA-N 329.223 4.175 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)ccc1F)[C@@H](C2)C3=O 587422960 HIUUQUAQJVJYHQ-UGSOOPFHSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccnc1Cl)CC2=O 587461864 NRLFBGOFIQIKLP-HNNXBMFYSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(OCC)c1)CC2=O 587477692 FVFFFJKMUZGBQO-SFHVURJKSA-N 342.391 4.156 0 1 EIAF CC(C)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510955 HZZYIKHEOKNVIE-HSZRJFAPSA-N 349.474 4.424 0 1 EIAF Cn1ncc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587517876 WPMMLAGOXHOPBG-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF C[C@]1(c2ccc3nc(O)oc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527348 TYZAEUUGOFMYIS-OAQYLSRUSA-N 349.386 4.293 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccc1 587600355 AXPNYODEZORJPC-QUCCMNQESA-N 346.382 4.355 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(F)F)CC2)N1 587719786 RFONILWOUCSSNI-JMCQJSRRSA-N 334.179 4.209 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@H]2CCCO2)N1 587830354 DXDHDKMSCKHGNH-SIVJFFJCSA-N 342.252 4.123 0 1 EIAF Cc1ccccc1[C@]1(C2CCCC2)NCCc2nc3ccccn3c21 962985722 REBAUVPTOPSXPZ-QFIPXVFZSA-N 331.463 4.222 0 1 EIAF CC(C)c1nc([C@H]2NCCc3cc(Cl)ccc32)c2ccccn12 963389611 CKXKZTSBOREGSX-KRWDZBQOSA-N 325.843 4.346 0 1 EIAF CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2Cl)cc1 1772658084 QRHFNJUMVNOJIR-UHFFFAOYSA-N 345.826 4.266 0 1 EIAF Cn1c(-c2ccc(F)c(F)c2)cc2onc(-c3ccccc3)c2c1=O 36386640 BHZPMXAVQHMYRS-UHFFFAOYSA-N 338.313 4.139 0 3 EIAF CC[C@@H](C)C(=O)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12 1548800 SKGBQBGDMSTFHX-OAHLLOKOSA-N 348.446 4.109 0 1 EIAF C[C@H]1CCC[C@H](NC(=O)CCn2c(=S)oc3ccccc32)[C@@H]1C 4686775 PMBRAFYKURLEHX-MJBXVCDLSA-N 332.469 4.295 0 1 EIAF Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NC(C)C 5057287 MFPUJZWRBDUEBK-UHFFFAOYSA-N 338.860 4.061 0 1 EIAF COc1ccc2c(c1)CC[C@@H](C1CCN(Cc3ccccc3)CC1)C2=O 13734339 XYGFUOFZJNRUOD-NRFANRHFSA-N 349.474 4.353 0 1 EIAF CC(C)Oc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2 13779448 NBZBBVVAKCCMHN-UHFFFAOYSA-N 331.803 4.117 0 1 EIAF COc1cccc(OC)c1OCCNCc1cccc2ccccc12 26386529 PCJQHMFSVMRPCP-UHFFFAOYSA-N 337.419 4.026 0 1 EIAF COC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3n2C)c1 29236654 GFFYBPUGWWALKZ-UHFFFAOYSA-N 329.787 4.380 0 1 EIAF Clc1ccc(OCCCOCCCN2CCCCCC2)cc1 41739027 JGFWTZPEFKPIHN-UHFFFAOYSA-N 325.880 4.392 0 1 EIAF Cc1cc(NCCCCCCN)nc(Nc2ccc(Cl)cc2)n1 45188067 OOMSPOZNMCYJOV-UHFFFAOYSA-N 333.867 4.113 0 1 EIAF O[C@H](CC1c2ccccc2Sc2ccccc21)CN1CCCC1 95580771 SJCVUEZFZDNDKT-OAHLLOKOSA-N 325.477 4.130 0 1 EIAF in-vitro Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(-c5ccco5)n4)cc23)cc1 164811352 YVKRJXRMZSFCNE-UHFFFAOYSA-N 345.337 4.414 0 1 EIAF CCc1cc2c(cc(O)c3c(=O)c(OC)c(-c4ccccc4)oc32)o1 238789812 NNGMCKQQEYDOGM-UHFFFAOYSA-N 336.343 4.483 0 1 EIAF O=c1c(O)c(-c2ccc(Br)cc2F)oc2ccccc12 299836640 NZSBISUOYULDTB-UHFFFAOYSA-N 335.128 4.067 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(Br)c3[nH]2)cc1 586887540 IXHVNZANTSSUGF-BDJLRTHQSA-N 345.240 4.471 0 1 EIAF Cc1cc2[nH]c(Cc3ccc(Br)c(C)c3)nc2c(C)n1 586975401 BTIGYSDCZHHSLG-UHFFFAOYSA-N 330.229 4.236 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2C1 587034818 ZHKDOJQOQKDKJM-SNVBAGLBSA-N 337.448 4.301 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@H](O)[C@@H]4C)-c1ccccc1C2=O 587102560 XOJCRJLUYFXZIS-SJCJKPOMSA-N 329.399 4.165 0 1 EIAF Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587105163 QUTLXEHVLBKTND-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3C)nc1)O2 587393274 DTEVTOYFVYASDW-IBGZPJMESA-N 345.402 4.049 0 1 EIAF CC(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587574517 BIWNMQNOACIDSE-WIYYLYMNSA-N 349.386 4.478 0 1 EIAF CCCn1cc([C@@H]2NCCc3c2sc(C)c3C)c(C(F)(F)F)n1 963014902 VQZLMLLIRITKIW-ZDUSSCGKSA-N 343.418 4.225 0 1 EIAF Fc1cccc2c1[C@H](c1cccn1-c1cccnc1)N1CCC[C@@H]1C2 963114570 VTBCJHWSBGTIIA-IERDGZPVSA-N 333.410 4.121 0 1 EIAF O=[S@](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1 1857598882 AXENRPOALXGSFW-HTAPYJJXSA-N 331.437 4.321 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@]12O 2356404935 BDKARMILWOSVNF-OITIAJGXSA-N 346.467 4.209 0 1 EIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)C 776258 XDKUKUGMJYEPDQ-UHFFFAOYSA-N 344.455 4.424 0 1 EIAF Fc1ccc2c(c1)SC1=Nc3sc4cc(F)ccc4[n+]3CN12 5933647 GDJYABQVSJXDQG-UHFFFAOYSA-N 332.380 4.038 0 1 EIAF CC[C@H](Sc1nc2ncccc2o1)C(=O)Nc1cccc(C)c1 6915539 FMRVFNOEDDGSNC-AWEZNQCLSA-N 327.409 4.041 0 1 EIAF CCOc1ccc(-c2cc(Cl)cc3c2N2CCNCC[C@@H]2C3)cc1 13535483 JDHYHXHAIHIWQY-QGZVFWFLSA-N 342.870 4.130 0 1 EIAF Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](CO)CC(C)C)c2c1C 26483282 GSMWUWXMHHXWOW-INIZCTEOSA-N 338.455 4.061 0 1 EIAF COc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O 27183163 DQZBUDLHWJGWNQ-UHFFFAOYSA-N 349.471 4.411 0 1 EIAF Cc1cc(C)cc(N(c2cc(C(=O)N3CCCC3)n(C)c2)C(C)C)c1 40414110 QCVKIPBEESFZDR-UHFFFAOYSA-N 339.483 4.424 0 1 EIAF COc1ccccc1Oc1cc(NCc2cccc(F)c2)ncn1 82068340 HNBMNNBHNPXMID-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF CC(=O)c1ccc(Nc2ccc(Br)cc2)c(C(=O)O)c1 84729076 LLDQSLLXMYITPR-UHFFFAOYSA-N 334.169 4.094 0 1 EIAF O=C(Nc1cccc(F)c1C(=O)O)c1ccc(-c2ccccc2)cc1 96938310 FVRHIUBDAOXDAW-UHFFFAOYSA-N 335.334 4.443 0 1 EIAF COc1ccc2c(c1)COc1cc(Nc3ccccc3N)ccc1C2=O 103273357 DXFPCHHMYMXTGT-UHFFFAOYSA-N 346.386 4.144 0 1 EIAF CC[C@@]1(C(=O)NCCc2csc(Cl)c2)[C@H](C)C1(Cl)Cl 103296626 NWCZRMFAJBBUKH-UFBFGSQYSA-N 340.703 4.280 0 1 EIAF FC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 114879224 YGBYNGMZCPBWAZ-UHFFFAOYSA-N 331.219 4.434 0 1 EIAF CCCc1cc(O)cc2c1Oc1cc(O)cc(CCC)c1C(=O)O2 169309029 IKKIGBFMFYLXGH-UHFFFAOYSA-N 328.364 4.328 0 1 EIAF Cc1cnc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586914322 CGFMFEONGSTRLW-UHFFFAOYSA-N 345.358 4.035 0 1 EIAF Oc1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587075256 GZPBWFQOVYBKCV-HNNXBMFYSA-N 327.815 4.259 0 1 EIAF CCOc1cc(/C=C\c2nc3cc(F)cnc3[nH]2)ccc1OC(F)F 587129171 CSHFPJBGHNCNGY-XQRVVYSFSA-N 349.312 4.268 0 1 EIAF Cc1ccc([C@@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587414032 VCBYGVOOCWPJGV-OAQYLSRUSA-N 333.387 4.388 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)c(F)c1)CC2=O 587467179 OSQVYJUNCGEEJQ-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)c(F)cc31)CC2=O 587472876 WHWVMKKOZIHIFE-HXUWFJFHSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC)C1(CC)CC 587485051 YDXYSJKOCJAXBU-YLJYHZDGSA-N 332.440 4.274 0 1 EIAF Cc1cc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)no1 587513868 UZECMMZTPJXGIM-IBGZPJMESA-N 348.402 4.359 0 1 EIAF Cc1cc(OC(C)(C)C)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O 587937315 KBICQPYHNFNKQQ-UHFFFAOYSA-N 342.439 4.224 0 1 EIAF CCC[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C 587955063 JFHIXAFBEXKCOR-AWEZNQCLSA-N 339.443 4.162 0 1 EIAF C[C@H](O)c1cnc([C@@H]2NCCc3cccc(-c4ccccc4)c32)s1 962673076 ZOCNQHQPADTVAQ-ORAYPTAESA-N 336.460 4.099 0 1 EIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2N)cc1 1237945174 SKAFLMMNOCCDQH-UHFFFAOYSA-N 338.860 4.021 0 1 EIAF Cc1cc2c(O)c3c(c(O)c2o1)[C@]1(C)CC[C@@H]2C[C@]2(C)[C@H]1CC3=O 2356586397 YLFXZDORYFPSOA-YIODGJPRSA-N 326.392 4.433 0 1 EIAF C=Cc1c(O)c(OC)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356679995 OTPSUPTYLZWNMH-MGNBDDOMSA-N 326.348 4.010 0 1 EIAF CCOC(=O)c1cc(/C=C/C(C)=C/C(=O)OC)oc1-c1ccccc1 1625593 KZYPTCODBKPILP-CYZWUHAYSA-N 340.375 4.256 0 1 EIAF O=C1Cc2c([nH]c3ccccc23)-c2cc(Br)ccc2N1 1626614 IEEQWYMIVLKPFP-UHFFFAOYSA-N 327.181 4.092 0 1 EIAF C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1 5034965 LIEPNLLABKGRMO-BETUJISGSA-N 342.870 4.495 0 1 EIAF c1ccc2c(c1)CN(CCN1[C@H]3CC[C@@H]1c1c([nH]c4ccccc14)C3)C2 22778554 CTQHCPZZSHQSPL-PGRDOPGGSA-N 343.474 4.245 0 1 EIAF CCOC(=O)c1oc2cc(-c3cccc(OC)c3)cc(O)c2c1C 28377231 KLKQWPUGAGBVDD-UHFFFAOYSA-N 326.348 4.299 0 1 EIAF CCO[C@@H](c1ccc(N(C)C)cc1)c1ccc(C(C)C)cc(=O)c1O 29469400 WRGMNDQXKDCQNU-NRFANRHFSA-N 341.451 4.068 0 1 EIAF COc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 36338694 QKHSPOZLSODGTA-UHFFFAOYSA-N 347.418 4.142 0 1 EIAF CCOC(=O)/C(=C\CC(=O)c1ccccc1)Sc1ccccc1 67924379 GZVCAXYHFMVKDO-NBVRZTHBSA-N 326.417 4.499 0 1 EIAF CCCc1cc2cc(Cl)cc(Cn3nc(C(=O)O)cc3C)c2o1 73169446 AFJWGPROQZBGGB-UHFFFAOYSA-N 332.787 4.290 0 1 EIAF CCC(=O)Nc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC 84652085 ZRWDKCNZSHWGAP-UHFFFAOYSA-N 344.436 4.018 0 1 EIAF CCn1c(NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O 299818676 AIOOOOYCTWPHCO-UHFFFAOYSA-N 339.464 4.499 0 1 EIAF Cc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2n1 586997396 WOQWPOHCFCSZDV-UHFFFAOYSA-N 346.228 4.343 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1 587113496 LDFKUAIBTMRLDQ-QMMMGPOBSA-N 340.736 4.323 0 1 EIAF N=C(N)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144840 CUIAULWDMMVTJJ-UHFFFAOYSA-N 344.393 4.244 0 1 EIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Cl)cc2[nH]1 587173965 DRUWMYQFRLROQS-ZDUSSCGKSA-N 328.778 4.079 0 1 EIAF C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357636 UWOKYLUDCLKSKU-ICSRJNTNSA-N 338.334 4.399 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CSC(F)F)o1)O2 587383913 XMNLHXHGRMVGCF-AWEZNQCLSA-N 339.363 4.333 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3cc4ccccc4cc31)O2 587398921 GOMQRLUSKHXYPY-QFIPXVFZSA-N 344.414 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)c(C)c1)[C@@H](C2)C3=O 587439157 KBPGJZIIUBKOIH-HRAATJIYSA-N 338.403 4.280 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ncccc13)CC2=O 587484938 OTDOLVKZJPPZKX-QGZVFWFLSA-N 336.391 4.236 0 1 EIAF O=C1C[C@](c2ccccc2)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587535432 JWZHHWZAQOUDDI-MBSDFSHPSA-N 348.442 4.463 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2F 587567587 FCNIGXNKMSUFRE-JTDSTZFVSA-N 328.339 4.005 0 1 EIAF Cc1cnccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775960 VGMHYDOGOASJHQ-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(=O)C(C)(C)C)N1 587811449 GEJJWNDKUGEJCJ-SKDRFNHKSA-N 342.252 4.169 0 1 EIAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cc1 653794481 CGIYNPBCCLINPN-UHFFFAOYSA-N 336.391 4.052 0 1 EIAF COc1cccc2c(Nc3cccc(Br)c3)ncnc12 3815286 WCJIZSYSAHKAQF-UHFFFAOYSA-N 330.185 4.145 0 1 EIAF CCCNCc1c(C(=O)O)c(C)n(Cc2cccc(Cl)c2)c1C 8932612 TYVDSEBTHAYVKN-UHFFFAOYSA-N 334.847 4.004 0 1 EIAF O=C(OCCN1CCCCCC1)C(c1ccccc1)c1ccccc1 13864160 XWWFSEZWAMOPJO-UHFFFAOYSA-N 337.463 4.238 0 1 EIAF O=C(Nc1nccs1)C1=Cc2sc3c(c2CS1)CCCC3 20557469 QNYOAIBRRCJMLO-UHFFFAOYSA-N 334.491 4.310 0 1 EIAF FC(F)(F)Oc1ccc(C2=N[C@H](c3cccc(Cl)c3)CN2)cc1 28948573 YIGHPSGDRBAGJZ-AWEZNQCLSA-N 340.732 4.330 0 1 EIAF CCCCCCC1=CC(=C(Br)Br)OC1=O 64451021 MONJZMWYAVRPJA-UHFFFAOYSA-N 338.039 4.399 0 1 EIAF O=C(c1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64540018 TZFQAMTZBYHQFY-RBUKOAKNSA-N 341.838 4.163 0 1 EIAF CC(C)n1nc(-c2cccc(-c3ccccc3)c2)c2c(N)ncnc21 71282385 YCSADFKXWRJIMW-UHFFFAOYSA-N 329.407 4.323 0 1 EIAF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC/C2=C/C#N 201431270 VFWOXQNFPHOBLO-QPTFWQATSA-N 327.468 4.019 0 1 EIAF CCc1cnc(-n2nc(CC(C)C)c(Cc3ccccc3)c2C)nc1 299871024 XOIYQHKYZZURHX-UHFFFAOYSA-N 334.467 4.322 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)ccc(C)c2[nH]1 586964084 UMQIUWQHMUXQEP-GFCCVEGCSA-N 328.441 4.227 0 1 EIAF Fc1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587004869 AREUVPLAJGCSEC-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1C 587061264 SZOYNJNAEJNZGD-UHFFFAOYSA-N 349.825 4.370 0 1 EIAF Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587074311 RURSGOVZZGTIBK-UHFFFAOYSA-N 337.814 4.140 0 1 EIAF Cc1cnn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587098447 VEALHZLXJWMZDA-UHFFFAOYSA-N 339.398 4.308 0 1 EIAF Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1O 587103769 IYZBVKKIIMREHB-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(F)c2[nH]1 587112914 IHVUZUJNWYLJPY-NSHDSACASA-N 341.283 4.102 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(F)(F)F)c1F)O2 587381763 LJBCSUCVTPEQQC-AWEZNQCLSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1N1CCCCCC1)O2 587400654 QYRLUTWPFHTDJK-TZIWHRDSSA-N 342.483 4.100 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Cl)cc1F)CC2=O 587468326 UDZKOANOQJDAOC-GOSISDBHSA-N 349.789 4.413 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc(O)c1)CC2=O 587478389 ASZYNQWRERWKFA-HXUWFJFHSA-N 326.392 4.321 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](C)C(=O)OCC)CC2=O 587485296 VELFVUBYJMOUCD-RBZFPXEDSA-N 348.439 4.048 0 1 EIAF C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604550 WTYBTJISIPANAM-UGKGYDQZSA-N 346.382 4.355 0 1 EIAF COc1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1O 587787727 XWZACUUFFQILOO-UHFFFAOYSA-N 326.249 4.102 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3c(C)ccnc3[nH]2)cc1 587934735 FMXUWAQQARQLAM-SFHVURJKSA-N 329.403 4.455 0 1 EIAF O=C([C@@H]1Cc2ccccc2[C@H](CCCc2ccccc2)N1)C(F)(F)F 962729687 JIFFCSMOVBRQFE-ROUUACIJSA-N 347.380 4.396 0 1 EIAF Cc1ncc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cn12 1772573289 UBAOTUBXUAQBKH-SFHVURJKSA-N 339.826 4.273 0 1 EIAF COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)cc3)c2)cc1 1772625010 MKLIHGLBEQCUBL-UHFFFAOYSA-N 348.402 4.391 0 1 EIAF Fc1cc2nc(-c3cncnc3C(F)(F)F)n(C3CC3)c2cc1F 1857541537 VNILRKBSTICRTL-UHFFFAOYSA-N 340.255 4.125 0 1 EIAF O=C(O)c1ccc(C(=O)c2ccc(NCc3ccccc3)cc2)cc1 13679783 HTOJJEGICHZIJA-UHFFFAOYSA-N 331.371 4.228 0 1 EIAF in-vivo O=C(/C=C/c1c(-c2ccccc2)c[nH]c1C(=O)O)Nc1ccccc1 13778860 RQTUNGDNDWDDGT-VAWYXSNFSA-N 332.359 4.032 0 1 EIAF CCCC(=O)NCC[C@H]1CCc2c(OC)ccc3ccc(OC)c1c23 13834447 GBQSWEMPGGYIKG-OAHLLOKOSA-N 341.451 4.193 0 1 EIAF CN1Cc2ccccc2[C@@H]2c3cc(O)c(Br)cc3CC[C@H]21 26274927 LGYJRJSIABNMNK-SJLPKXTDSA-N 344.252 4.047 0 1 EIAF CN(C)[C@@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26641932 TYVURQJNWGIBHS-JOCHJYFZSA-N 336.479 4.183 0 1 EIAF Cn1c(=O)c(COc2ccc(-c3ccccc3)cc2)nc2ccccc21 27656564 WGCOVVGKEYQMEK-UHFFFAOYSA-N 342.398 4.180 0 1 EIAF COc1cccc(Cn2c3c(c4cccc(C(=O)O)c42)CCCC3)c1 40913714 KUEGCJXOXVQDNU-UHFFFAOYSA-N 335.403 4.275 0 1 EIAF CCCCC[C@@H]1O[C@H]1[C@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)O 96095297 FMRVHRPEVIVXKX-ZJIVTKJASA-N 336.472 4.399 0 1 EIAF in-vitro O=C(Nc1ccc(CC[C@@H]2CCCCN2)cc1)c1ccc(Cl)nc1 117720118 FRMVFMSEMIWFKB-INIZCTEOSA-N 343.858 4.062 0 1 EIAF C[C@@H](NC(=O)[C@]1(C)C[C@@](C)(Cl)C1)c1ccc(Br)cc1 145227267 XSURZDBTSSWRFF-KMUNFCNLSA-N 344.680 4.424 0 1 EIAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CC[C@H]4O[C@H](c5ccoc5)C[C@]1(C)[C@@H]4[C@]23C 197395934 NSJATPAOKXGYJS-PLQDTANASA-N 330.424 4.114 0 1 EIAF C[C@@H]1CC[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 254058070 YXBCRJFFPSUINZ-XJKCOSOUSA-N 327.877 4.072 0 1 EIAF Clc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1 586979950 YZBPJGLDXHKZCU-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Brc1cc2c(cc1/C=C\c1nc3ccccc3[nH]1)OCO2 586997824 CZMDRGAOTXKHQE-WAYWQWQTSA-N 343.180 4.225 0 1 EIAF COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Cl)c1O 587046640 ZHLLMYRNYYZUPM-UHFFFAOYSA-N 344.585 4.299 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(F)c1O)CC2=O 587466285 KNTYUZRIBSKQPX-HNNXBMFYSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1coc(C3CC3)n1)CC2=O 587489379 LSSKHZZDWBBTKA-LJQANCHMSA-N 327.380 4.091 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1F 587571088 ZEGIHNYYPFFVHW-YLJYHZDGSA-N 336.318 4.234 0 1 EIAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 587627193 PDKGQTIKBIBOJX-QQECIVCUSA-N 344.842 4.120 0 1 EIAF COc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c1C 587788361 ZNJFZKGOCUAISJ-UHFFFAOYSA-N 340.276 4.112 0 1 EIAF O=C(c1ccc(OC(F)F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873743 IMQOVNLSEMKEHZ-UHFFFAOYSA-N 346.264 4.085 0 1 EIAF O=C(NCCc1nc(-c2c(F)cccc2F)cs1)c1ccccc1 653848280 GMEYAKZDLXXPCB-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF COc1ccc2c(c1)[C@](C)(COc1ccc(F)c(F)c1)N[C@@H]1CC[C@H]21 962997683 RYDZIYFHGKGPTN-YSGRDPCXSA-N 345.389 4.117 0 1 EIAF COc1ccc2oc(=O)c(-c3cc(Br)cs3)cc2c1 1772584520 RKIIWEQHBYFMQP-UHFFFAOYSA-N 337.194 4.293 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cocc3[C@@H](O)C[C@@H]12 2356799076 TYPVNOMJAHIGID-CNFQODSWSA-N 332.440 4.282 0 1 EIAF CC(=O)Nc1cc(-c2ccncc2)cn2c(-c3ccccc3)cnc12 61903655 ZQCBMXXEILRNNT-UHFFFAOYSA-N 328.375 4.022 0 3 EIAF COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(C)cc3)n2c1 72136497 RQYMGCSESFRMBS-UHFFFAOYSA-N 346.386 4.280 0 3 EIAF O=C(O)c1cccc2c3c([nH]c12)-c1cc(Br)ccc1C3 27059 AQKAXKVUVCGEFU-UHFFFAOYSA-N 328.165 4.200 0 1 EIAF CCOC(=O)c1ccc(Nc2nc3ccccc3n3cccc23)cc1 1864334 DQQYAUGXYKNVPF-UHFFFAOYSA-N 331.375 4.408 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@H]21)C(=O)c1occc1CC3 5663996 HBYGDSOCXWYJLK-MAODMQOUSA-N 342.435 4.485 0 1 EIAF biogenic CCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1 13492892 AMRCESOKVVHRSH-UHFFFAOYSA-N 339.483 4.094 0 1 EIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccccc2)C1 13579456 NAONLHOWHFCPOB-IEBWSBKVSA-N 343.854 4.232 0 1 EIAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(F)cc1 13740352 SVEGIYPSJMZQHS-OREJSRFESA-N 325.427 4.256 0 1 EIAF COc1cc2c(cc1Br)CC[C@@H]1[C@@H](c3ccncc3)[C@H]21 13741598 BKRNEVWSNKCMMT-JLZZUVOBSA-N 330.225 4.296 0 1 EIAF CCCCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 14970969 NKWHELZNPRCJAS-SFHVURJKSA-N 342.391 4.243 0 1 EIAF in-vivo CC(C)C(=O)CC[C@@H]1C(C=O)=CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O 15121810 UCRJIYGYSLKACR-DJABAAGCSA-N 334.456 4.034 0 1 EIAF biogenic CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 26392272 YFWPHJWDVIVLDC-QKYFFWMQSA-N 343.511 4.175 0 1 EIAF COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1 26567472 VTLHRNPKSRBZBF-WOJBJXKFSA-N 348.446 4.248 0 1 EIAF CC(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954178 ZFXDDXAVZDTACE-LLVKDONJSA-N 327.133 4.276 0 1 EIAF Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 43131862 FNYGNFQUTXAHPS-UHFFFAOYSA-N 349.478 4.188 0 1 EIAF Cc1ccccc1CSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1 49110730 DYQAQGJNXIRGRZ-UHFFFAOYSA-N 336.460 4.270 0 1 EIAF Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 66138785 LIUFZJXOBOMSBI-UHFFFAOYSA-N 343.858 4.346 0 1 EIAF Cc1cc(=O)c2c(o1)O[C@@]1(C)[C@@H](CC[C@H]3C(C)(C)C(=O)CC[C@@]31C)C2 103239292 KSPJPGGJDQMWRK-IMHVBNMXSA-N 344.451 4.063 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CCOC3=O)[C@H](C)CC[C@@]12C 238732686 SIFADWAWFOYYKC-LPNJYYIDSA-N 346.467 4.202 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C 238763134 MHHDTKFGMDYVQU-WBCYEJBOSA-N 332.440 4.252 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 257525713 QSXNOUPYXMWUKT-NYLQFIMYSA-N 332.440 4.108 0 1 EIAF endogenous,in-man OCC12CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)(CC1)CC2 586895743 WSPFJHBOFRZQDC-UHFFFAOYSA-N 342.336 4.305 0 1 EIAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 586921537 BSSOECDJWSZVTF-UHFFFAOYSA-N 342.464 4.321 0 1 EIAF Fc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005345 URVNMDJRSVCNNX-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1cc(C)c2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2c1 587113171 YOZSLSDJIASIPH-UHFFFAOYSA-N 347.340 4.129 0 1 EIAF COc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587132440 BBBFUCGJVJWQBS-UHFFFAOYSA-N 339.153 4.248 0 1 EIAF COc1c(F)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1F 587135295 YKTJQGJCGMOLBG-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF OCc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145866 TWQPIDGILHOOIW-UHFFFAOYSA-N 332.378 4.452 0 1 EIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587150023 JBPWTIDENMGSHR-ZCFIWIBFSA-N 328.240 4.398 0 1 EIAF CCOC(=O)c1c(N)sc(-c2cc3c4c(cccc4n2)CC3)c1C 587216858 OVBKVPZKONVWIH-UHFFFAOYSA-N 338.432 4.129 0 1 EIAF CCCCn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1Cl 587378452 CGRCLEWOAMAXAI-OAHLLOKOSA-N 347.846 4.242 0 1 EIAF O=C1C[C@H](c2ccc3cccnc3n2)Oc2c1ccc1c2CCCC1 587527921 VKSTUHHJZOFNCU-LJQANCHMSA-N 330.387 4.215 0 1 EIAF Cc1[nH]c2cc(F)ccc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587636958 QUNIOAKJJYHVMX-UHFFFAOYSA-N 337.310 4.061 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831678 XWAWVPFMOFLJGA-ABKXIKBNSA-N 338.220 4.287 0 1 EIAF Cc1nnc2n1-c1sc(C3CC3)c(Cc3ccccc3)c1COC2 1857583465 VZRVKVWKONAQFQ-UHFFFAOYSA-N 337.448 4.136 0 1 EIAF C[C@H]1NC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356425611 PHYSDIZFXRPRAH-WISGCMSASA-N 342.571 4.467 0 1 EIAF CCCCC[C@@H](O)[C@@H](O)CC=CCC=CCC=CCCCC(=O)O 2356521993 SYAWGTIVOGUZMM-MOPGFXCFSA-N 338.488 4.382 0 1 EIAF COc1ccc2nc3oc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3cc2c1 429102 RNWNQKKNUYZURB-CHWSQXEVSA-N 338.407 4.108 0 3 EIAF CN1CCC[C@@H]2[C@@H]3CC[C@@H]4c5nonc5CC[C@]4(C)[C@@H]3CC[C@@]21C 5890160 AYIZBBPMNRJANA-DIZUZXFTSA-N 329.488 4.026 0 1 EIAF COc1cccc(-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)c1 13589625 VFUNSXKJIWHFNE-UHFFFAOYSA-N 334.206 4.378 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 13651587 BEUOVAGPYSYPLV-YXYSEUPNSA-N 326.436 4.268 0 1 EIAF CCCCCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 26728444 OIGDTMLXJFHZGL-UHFFFAOYSA-N 346.434 4.316 0 1 EIAF c1ccc2c(c1)C[C@@H]1N[C@@]2(C2SCCCS2)c2ccccc21 27887993 PJTKFTBQVOSAOH-PKOBYXMFSA-N 325.502 4.327 0 1 EIAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ccc(=O)[nH]c3c2)cc1 28863737 LWDJARFJPYGSQO-WUXMJOGZSA-N 346.430 4.478 0 1 EIAF CCCSC[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890308 ZQKGOFAZLKQJIK-AWEZNQCLSA-N 333.284 4.231 0 1 EIAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 40954495 QHLIBNPMZZLGDJ-UHFFFAOYSA-N 334.369 4.258 0 1 EIAF CCCCC(=O)Nc1ncnc2nc(-c3ccc4ccccc4c3)[nH]c12 58599314 GEZNCMXOIUQPNN-UHFFFAOYSA-N 345.406 4.302 0 1 EIAF CC[C@@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC 66074257 RNCWKUCWPBNWOH-DLWHVVEFSA-N 333.516 4.292 0 1 EIAF Cn1cnc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)c1 96282211 SYLUFRPBHWHYDJ-UHFFFAOYSA-N 347.403 4.087 0 1 EIAF Cc1nnc(-c2ccc(-c3ccccn3)cc2)n1-c1ccccc1F 96283523 WRYCGINDUVPELG-UHFFFAOYSA-N 330.366 4.444 0 1 EIAF CC[C@@H](C)[C@@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O 101199867 IIZDOXATMSSHGP-SKDRFNHKSA-N 345.386 4.253 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 194874438 JTVHQWNUCRXUJU-RUSOHIBLSA-N 336.472 4.414 0 1 EIAF CC(C)C1=C(O)C2=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2C[C@H]1O 238755935 IUGOAYHOVCGSAZ-BOALLWEKSA-N 334.456 4.063 0 1 EIAF O=C1COc2cc3[nH]c(-c4cccc(-c5ccsc5)c4)nc3cc2N1 587026972 LGMCZVMAOYCURS-UHFFFAOYSA-N 347.399 4.289 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2c1 587156585 WTISMRLPTJAIPU-MRXNPFEDSA-N 342.370 4.409 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1N)O2 587388530 DFZGYLYRGRUSOP-JOCHJYFZSA-N 344.414 4.068 0 1 EIAF CCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522947 JJNUWHNJOHSCEL-LAUBAEHRSA-N 344.451 4.269 0 1 EIAF Cc1c[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587790898 JZSIYHOMNVEYQV-XXFAHNHDSA-N 337.236 4.157 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@@H](O)CC 587860450 UFJYWSZYOXLKDX-NSHDSACASA-N 329.227 4.027 0 1 EIAF CCCCOc1ccc(O)cc1[C@H]1NCCc2cc(C)c(F)cc21 962094078 RISSRIULWSFTQA-FQEVSTJZSA-N 329.415 4.254 0 1 EIAF CCCCC[C@H](O)[C@@H](O)CC=CCC=CCC=CCCCC(=O)O 2356521994 SYAWGTIVOGUZMM-OALUTQOASA-N 338.488 4.382 0 1 EIAF COc1ccc(CCC(=O)c2ccc(O)c3c2OC(C)(C)CC3)cc1 2356545210 ODXLQXXVWKZHCM-UHFFFAOYSA-N 340.419 4.320 0 1 EIAF COc1ccc2nc3sc(C(=O)N4CCCC[C@H]4C)cc3cc2c1 428358 DUMWSPBVUZKOFK-GFCCVEGCSA-N 340.448 4.473 0 1 EIAF CCN(CC)CCOC(=O)c1cc2ccccc2n1-c1ccccc1 1654524 KFXPIZBKVUPOEB-UHFFFAOYSA-N 336.435 4.129 0 1 EIAF Clc1ccc(-n2cc(COc3ccnc4ccccc34)nn2)cc1 43018782 QBHZHBVIUINBIU-UHFFFAOYSA-N 336.782 4.048 0 1 EIAF COc1cc(/C=C/C(=O)O)cc2cc(-c3ccc(N(C)C)cc3)oc12 96934937 DAGCGCMAAVWQPK-RUDMXATFSA-N 337.375 4.272 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169335213 HQWPPVLSHLFTDY-GLDUVZCJSA-N 329.484 4.180 0 1 EIAF C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@@H]1CC[C@@]34C 238772675 ZIXNWOVXWUYDLX-IIJHBXAKSA-N 343.511 4.334 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CCc3ccccc3C2)CC1 261152716 PFJXVYZMCGALGZ-RUCARUNLSA-N 344.499 4.128 0 1 EIAF Clc1ccc2c(c1)SCc1c[nH]c(=NCc3ccccc3)nc1-2 473145451 VLBFJWICKOZFAS-UHFFFAOYSA-N 339.851 4.437 0 1 EIAF COc1cc(OC)c2[nH]c(CSc3ccc(C)cc3C)nc2c1 586965469 YBRMKNGQYCWPRK-UHFFFAOYSA-N 328.437 4.489 0 1 EIAF CCc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983403 CEXJCUGKTLQGJD-AWEZNQCLSA-N 344.256 4.130 0 1 EIAF CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106195 JDAUVSPOTCUELG-OAHLLOKOSA-N 343.382 4.039 0 1 EIAF CNc1c(F)cccc1-c1nc2cc(C)cc(Br)c2[nH]1 587135898 RKCHPZIUEOQCBW-UHFFFAOYSA-N 334.192 4.482 0 1 EIAF CCc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587151410 ZGEJLSRYSXFYOB-UHFFFAOYSA-N 338.361 4.471 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc4c1CCCC4)[C@@H](C2)C3=O 587445262 JDNFFDDMHKAWQK-PGRDOPGGSA-N 334.415 4.237 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O 587452667 SMLUOLJWRQUXNK-LIRRHRJNSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(F)c1)CC2=O 587468305 TXXRRRZFANBEIQ-HXUWFJFHSA-N 328.383 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccccn1)CC2=O 587492092 WSDHODYNYAQXMU-HRAATJIYSA-N 337.419 4.411 0 1 EIAF O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2cc(Cl)c(F)cc12 587628909 BUJSRKIULPSTMZ-UHFFFAOYSA-N 337.709 4.099 0 1 EIAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587766819 HLCRJJQCCVPFPN-BTDLBPIBSA-N 349.247 4.224 0 1 EIAF NC(=O)c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587951036 VIBZHXGWPWPXJJ-UHFFFAOYSA-N 343.386 4.045 0 1 EIAF Cc1ccc(C)c(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 587959440 RKMBLEUEPNVVPP-UHFFFAOYSA-N 331.213 4.239 0 1 EIAF COC(=O)c1ccc2nc(/C=C(\C)C3CCCCC3)[nH]c2c1OC 587967566 LCNVFKKLQAFVQA-VAWYXSNFSA-N 328.412 4.342 0 1 EIAF Cc1cc2c(cc1F)[C@@](C[C@@H](C)CC(=O)O)(c1ccccc1)NCC2 962381490 YKPTWOBTLVMTMS-LHSJRXKWSA-N 341.426 4.024 0 1 EIAF Cc1cccc(-n2ccc(OC[C@H](C)COc3ccccc3)cc2=O)c1 1857601228 KIHWPJLHBQPIHX-GOSISDBHSA-N 349.430 4.240 0 1 EIAF CCOc1cccc2cc(-c3ccnn3-c3ccccc3)c(=O)oc12 1857603991 FYYBILUDNJZXKP-UHFFFAOYSA-N 332.359 4.044 0 1 EIAF COc1cccc(CN=c2[nH]nc(-c3ccccc3)c3ccccc23)c1 1857619712 YGBYIZFRPQIOOZ-UHFFFAOYSA-N 341.414 4.339 0 1 EIAF N#CN1CC(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1 1911583469 BVVWMNPXHULQIS-UHFFFAOYSA-N 332.325 4.054 0 1 EIAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356286760 PSIVVTJCLRXXKB-RCCFBDPRSA-N 340.515 4.353 0 1 EIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 2456015 UONHZIIUICTLOM-RISCZKNCSA-N 341.432 4.316 0 1 EIAF CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3c(C)cccc32)C1(C)C 27442888 GZUWNHDNANLVKW-WOJBJXKFSA-N 338.471 4.126 0 1 EIAF COCOC1=C2CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 29343120 YFEAKLGYPVTOND-LGZVPWNVSA-N 346.467 4.036 0 1 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1Cc1cccnc1 45497433 LWXCPGHJKWJLOG-HNNXBMFYSA-N 339.247 4.163 0 1 EIAF CC[C@H](C)c1cc([C@@H](O)C(F)(F)F)cc(Br)c1O 84688427 YUXYLDKDKHCOSN-UPONEAKYSA-N 327.140 4.264 0 1 EIAF Cc1ccc2nc3c(cc2c1)C=NN=C(NCc1ccccc1)S3 98082440 VFDAALJAYVFERH-UHFFFAOYSA-N 332.432 4.129 0 1 EIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@@H]2CC[C@@H]1C2 100802599 DYDRAJKNBFMRFG-FUSWZQJHSA-N 341.451 4.032 0 1 EIAF CCOc1cc2ncnc(Nc3cccc([18F])c3)c2cc1OCC 102888603 VIZJVXABYUPLHN-AWDFDDCISA-N 326.362 4.310 0 1 EIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586906088 IYVSKTXRHPVUNA-SSDOTTSWSA-N 332.709 4.044 0 1 EIAF O=[S@](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)CC1CC1 586959594 NZZCWVBZKKBUEQ-QHCPKHFHSA-N 326.421 4.014 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587424478 ZWKWIRLFSNGMKS-OXJNMPFZSA-N 342.822 4.488 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426524 DCCXIXPAVBRYLC-FIKGOQFSSA-N 338.378 4.288 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)noc1C)[C@@H](C2)C3=O 587437379 ZFDHUCKBFQSPTD-YCRPNKLZSA-N 347.370 4.147 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc5ccccc5c41)[C@@H](C2)C3=O 587447195 NKQRWUBKYJLHGJ-FDDCHVKYSA-N 342.394 4.438 0 1 EIAF O=C1C[C@@H](c2ccc(F)c(F)c2O)Oc2c1ccc1c2CCCC1 587509308 YTNSAGFFLFVFIS-INIZCTEOSA-N 330.330 4.256 0 1 EIAF C[C@]1(CCN2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514421 OCLKWAFSCPBTCC-NRFANRHFSA-N 327.468 4.165 0 1 EIAF O=C1C[C@H](c2ccc3nccnc3c2)Oc2c1ccc1c2CCCC1 587528052 WLRLMMRPSHIDEX-HXUWFJFHSA-N 330.387 4.215 0 1 EIAF Fc1cc(C(F)(F)F)c2[nH]c(CCOCc3ccccc3)nc2c1 587565493 CBRLXMTYGGKLSE-UHFFFAOYSA-N 338.304 4.480 0 1 EIAF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637710 OJOBYDJXMBEAED-UHFFFAOYSA-N 331.318 4.485 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccccc2)N1 587815194 KORQGWSUHXRWFB-HWPZZCPQSA-N 348.215 4.046 0 1 EIAF COc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1OC 587930226 NPPAKZFFZYSNID-RBZFPXEDSA-N 338.407 4.034 0 1 EIAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc2[nH]c(=N)sc2c1-3 1911585746 OGXZFBZWKSYKCH-MRXNPFEDSA-N 335.476 4.241 0 1 EIAF C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@@]4(C)CCC[C@]32COC4=O)C[C@]1(C)O 2356333781 VVKQWVWKEMJKNY-SBSMKWGWSA-N 334.500 4.323 0 1 EIAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@@H]1[C@@]2(CC[C@]2(C)C(=O)CC[C@]12C)CO3 2356580612 YXDUTHSIFYOIQZ-YAFPKGRUSA-N 342.479 4.102 0 1 EIAF Cc1cc2c(O)c3c(c(O)c2o1)[C@]1(C)CC[C@@H]2C[C@@]2(C)[C@@H]1CC3=O 2356586395 YLFXZDORYFPSOA-PZQZTADISA-N 326.392 4.433 0 1 EIAF NCCOc1cccc2c1c1cccc3c1n2[C@H](c1ccccc1)CO3 1550276 DHVYEOZVMUHJSH-SFHVURJKSA-N 344.414 4.114 0 1 EIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCC1)C2 2012672 INRKFTFXAPGJST-SNVBAGLBSA-N 343.206 4.002 0 1 EIAF C[C@@H]1CN(CCC(=O)c2ccccc2)CC[C@]1(C)c1cccc(O)c1 13832989 IQGJBVSSFDCTAJ-VGSWGCGISA-N 337.463 4.265 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]2(O)C#CCl 27416595 RGENIWJSHAAOMP-JAZQRGJZSA-N 330.855 4.179 0 1 EIAF biogenic COc1cc(Nc2ncnc3c(C)cc(C)cc23)cc(OC)c1OC 27417884 SAULSQICFRTQFU-UHFFFAOYSA-N 339.395 4.016 0 1 EIAF CSc1ccc(C2=C(c3ccco3)C(=O)N3CCC[C@H]3C2)cc1 40938849 SWKUCXVSDRLOOP-AWEZNQCLSA-N 325.433 4.307 0 1 EIAF O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCC4CCC3)s1 96907587 HMPOICZXKISJQH-UHFFFAOYSA-N 341.432 4.455 0 1 EIAF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3ccc(F)cc3)[C@@H]2CC1 96939114 NSGTWOTUVZPSAM-MGTCYMKMSA-N 342.410 4.022 0 1 EIAF Clc1ccc(CSc2n[nH]c3c4ccccc4nc-3n2)cc1 102444755 XDAFESLMGKEEIT-UHFFFAOYSA-N 326.812 4.403 0 1 EIAF CN[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C([C@H](C)O)[C@@]4(C)CC[C@H]32)C1 255280410 XGTRFWNUPBJUPH-OUONLLPTSA-N 329.528 4.454 0 1 EIAF Cc1c(Br)ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586902786 MKDIYMZWZJRWPN-WFASDCNBSA-N 343.224 4.203 0 1 EIAF Cc1ncc(-c2nc3ccc(F)c(F)c3[nH]2)c(C)c1Br 586978748 FSGVQGOAGUPERX-UHFFFAOYSA-N 338.155 4.282 0 1 EIAF Cc1c(F)ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586985076 YIKBTKDYLURTRL-ZDUSSCGKSA-N 348.219 4.015 0 1 EIAF CCO[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993184 UPXUNUBBIIULAZ-GFCCVEGCSA-N 345.398 4.046 0 1 EIAF c1ccc(C[C@H]2N[C@@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 587040619 IMOKPADNSZBLAH-MSOLQXFVSA-N 346.459 4.057 0 1 EIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(F)c2[nH]1 587079126 GRUPKSMAXFXFNE-CYBMUJFWSA-N 346.768 4.218 0 1 EIAF Cc1c(-c2cncn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096531 CQVOYJAUVIPOQY-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF COc1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1OC 587096842 CDIWKTAAGCFLJD-UHFFFAOYSA-N 340.276 4.405 0 1 EIAF Cc1cnc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587225595 MERGXDFSOKJDIB-AWEZNQCLSA-N 330.432 4.022 0 1 EIAF C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340837 UKIQWHIUHMPFPQ-PZJWPPBQSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(C)c(C)c1)O2 587397565 XGAWBQQXPIUVJQ-LJQANCHMSA-N 347.418 4.291 0 1 EIAF COc1c(C)cc(C)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400351 QWPZJWWONOVDIM-FQEVSTJZSA-N 325.408 4.083 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)c(Cl)cc(C)c1O)[C@@H](C2)C3=O 587420835 JEIMRFSENCPKAN-BUXKBTBVSA-N 344.794 4.160 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4cc1C=O)[C@@H](C2)C3=O 587445264 JDZXBFIHTSTYAJ-AVRDEDQJSA-N 344.366 4.150 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1cccs1)(C(C)(C)C)[C@@H](C2)C3=O 587448662 AXBMMEHICBPBBG-DJJJIMSYSA-N 328.433 4.446 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1O)CC2=O 587463153 VAXSAPRYIVKBRN-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(O)c(F)c1)CC2=O 587465297 GYVVVHPDNFFZPR-MRXNPFEDSA-N 334.318 4.035 0 1 EIAF COC[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522968 MFVIKMLZSRRRHV-JOCHJYFZSA-N 336.431 4.159 0 1 EIAF COC(=O)C[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523511 JPBWIVUKGDLQLU-VFNWGFHPSA-N 342.435 4.023 0 1 EIAF O=C(C1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659928 KZUQRUIQFHPJCG-UHFFFAOYSA-N 336.366 4.033 0 1 EIAF CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587772979 PVTADZMXZPLIGK-BMLIUANNSA-N 349.247 4.169 0 1 EIAF CC1(C)COC(CCC[C@@H]2c3c(F)cccc3C[C@H]3CCCN32)OC1 963112143 WQNFDVRKHKDAIE-SJLPKXTDSA-N 347.474 4.457 0 1 EIAF Clc1cccc(C2=NO[C@@H](c3nnc(-c4ccccc4)o3)C2)c1 13660369 DSOBMRAAKRDTEM-OAHLLOKOSA-N 325.755 4.256 0 3 EIAF CC(=O)O[C@@H]1CCC[C@@]2(C)C1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 13470368 WJINZNWBMZDWPK-YBKKEEBTSA-N 330.468 4.450 0 1 EIAF Cc1ccccc1NC(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684823 BQXQEVHKVFXHKB-SFHVURJKSA-N 345.874 4.463 0 1 EIAF COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2 14444088 MXOFIBMBNJWOFF-UHFFFAOYSA-N 348.398 4.168 0 1 EIAF biogenic,in-vitro COc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1 27303675 YQNJFQHTYQEYKH-CAPFRKAQSA-N 347.458 4.355 0 1 EIAF CC(=O)c1ccc(Oc2c3ccccc3nc3c2c(C)nn3C)cc1 29037869 SLENIJGGNJXEPT-UHFFFAOYSA-N 331.375 4.425 0 1 EIAF Cc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1 38305285 IRTVOPAITAMEDW-UHFFFAOYSA-N 331.441 4.079 0 1 EIAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccnc1 100632709 ZDZQRBHKHMWDSY-HXUWFJFHSA-N 333.391 4.258 0 1 EIAF COc1ccc2oc(-c3cn4nc(SC)sc4n3)c(C)c2c1 143849336 UHQLYYXLXPPIEK-UHFFFAOYSA-N 331.422 4.243 0 1 EIAF Cn1c(=N)n(CCOc2ccc(-c3ccccc3)cc2)c2ccccc21 169310410 UGKDDPBDIQEZDD-UHFFFAOYSA-N 343.430 4.205 0 1 EIAF Cc1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 586905501 RCJICAINYRDLGC-SECBINFHSA-N 338.194 4.203 0 1 EIAF Oc1cccc2c1OCC(c1nc3c(OC(F)(F)F)cccc3[nH]1)=C2 586907977 LJAYRXMXNSIVKI-UHFFFAOYSA-N 348.280 4.100 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 586915467 DKEKNCAXBMGZQO-CWTRNNRKSA-N 342.345 4.058 0 1 EIAF C[C@]12C[C@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991709 VUGFDLZRRMGACN-XFNZEKPQSA-N 327.383 4.376 0 1 EIAF Cc1cc(F)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 587082308 NXMNCYXKOQSVOK-UHFFFAOYSA-N 331.778 4.264 0 1 EIAF C[C@H](F)[C@H](N)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587122800 GUNFIRDSRMMNAM-VFZGTOFNSA-N 326.400 4.197 0 1 EIAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C 587126103 VFWCETUFQGUZLS-IINYFYTJSA-N 349.360 4.351 0 1 EIAF Fc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F 587145970 XXQLLENYGZRKFO-UHFFFAOYSA-N 327.103 4.410 0 1 EIAF Cc1cc(F)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204588 KOYPDUXFEHLMAF-CQSZACIVSA-N 349.450 4.492 0 1 EIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2c1cc2c3c(cccc3n1)CC2 587211359 DDDKKSBCVTYLJF-LSBZLQRGSA-N 336.435 4.056 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 587242337 SXPKCVCVMDMHSX-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587243339 BTXDPMLCLGIYTO-UHFFFAOYSA-N 331.297 4.373 0 1 EIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250113 HITWLDWNPQPQIE-UHFFFAOYSA-N 343.386 4.266 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3CO)c1 587366278 NQDGFUVGHBRFSZ-ZDUSSCGKSA-N 331.371 4.289 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1ccc(F)cc31)O2 587385835 VNLVPNPCWKRDMV-HXUWFJFHSA-N 336.366 4.005 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4nc(C)ccc4c1)[C@@H](C2)C3=O 587436700 RXBVMVXOPPHJHH-HRAATJIYSA-N 331.371 4.041 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1Cl)CC2=O 587459547 DATVSXGWTNLVHQ-GOSISDBHSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cnc1Cl)CC2=O 587463074 VUPHESSDZWBTBX-MRXNPFEDSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CCCCCCC(=O)O)CC2=O 587488491 JYTQNMBBWCDODI-FQEVSTJZSA-N 348.439 4.494 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccccn1)CC2=O 587490565 YGCPJJBVSNTGPJ-HXUWFJFHSA-N 325.408 4.401 0 1 EIAF COc1ccc2c(c1OC)[C@@](C)(CCc1ccsc1)N(C)[C@@H](C)C2 962628411 LYGRJGZEBPLSGT-VBKZILBWSA-N 345.508 4.490 0 1 EIAF CCCCCCc1ccc([C@]2(C)c3c(cnn3C)CCN2C)cc1 963954883 MTNBPQQVAFTAHQ-OAQYLSRUSA-N 325.500 4.294 0 1 EIAF CNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12 1857598580 DESSEKNKODZTAA-UHFFFAOYSA-N 340.736 4.194 0 1 EIAF Cc1cc2nc(CO[C@@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2cc1C 2356302063 LFBLJAYSWQPIIL-VQIMIIECSA-N 345.462 4.051 0 1 EIAF O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(O)cc1 4291768 AGCXWRBNCJJTAU-GOSISDBHSA-N 348.427 4.445 0 3 EIAF O=C1N=CC=C/C1=C1\Nc2ccccc2N1Cc1cccc(Cl)c1 103657634 GGNQQMXIKUWPDN-SDXDJHTJSA-N 335.794 4.151 0 3 EIAF Clc1ccc(CCN2CCCC[C@@H](N3CCCC3)C2)cc1Cl 22935725 OQGQWYZQJYEGSJ-MRXNPFEDSA-N 341.326 4.486 0 1 EIAF CCC/C=C/COC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26387200 VYMTVUHJJJHELN-WAKURUPISA-N 336.472 4.354 0 1 EIAF O=C(O)COc1ccc2c(-c3ccccc3F)nsc2c1Cl 28759247 DFRXKMLHFFWHDS-UHFFFAOYSA-N 337.759 4.219 0 1 EIAF O=C(Nc1ncc(F)s1)[C@H](c1ccc(C(F)(F)F)cc1)C1CC1 45391808 PNXFBSAGYDBTAS-LBPRGKRZSA-N 344.333 4.433 0 1 EIAF COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccccc2)c(OC)c1OC 72124348 GLGPYLMOGOTFEC-HULFFUFUSA-N 341.363 4.130 0 1 EIAF CCOc1cccc(-c2nc(CNCc3ccc(OC)cc3)co2)c1 72183609 JUQLPADRCSCQLX-UHFFFAOYSA-N 338.407 4.039 0 1 EIAF CC(C)(C)c1cc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)no1 73141742 MNZYJGZQRIVLGF-OAHLLOKOSA-N 338.379 4.029 0 1 EIAF N=C(Nc1ccc2c(c1)N(C1CCSCC1)CC2)c1cccs1 73297341 HZFUGRVPOVKIMY-UHFFFAOYSA-N 343.521 4.444 0 1 EIAF CSc1ccc(-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1 102662547 AZMDMCPBWDYFIW-CZUORRHYSA-N 332.494 4.068 0 1 EIAF COc1ccncc1[C@H](OC(=O)N(C)C)c1cccc2ccccc12 103198767 ZUSNVBRKVPDKMY-LJQANCHMSA-N 336.391 4.031 0 1 EIAF CCCCNc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 149171502 YAEXISXSUQTZCO-UHFFFAOYSA-N 346.438 4.082 0 1 EIAF O[C@H](c1nc2cccc(Br)c2[nH]1)c1ccccc1Cl 584617318 WBKTYLNLRCXKJL-ZDUSSCGKSA-N 337.604 4.061 0 1 EIAF Cc1c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)oc2c1[C@H](O)CCC2 586902767 FUAGHXALTLNQKA-GFCCVEGCSA-N 325.412 4.194 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3cn[nH]c3cc2[nH]1 587026927 KATCOLRTWMDOPJ-UHFFFAOYSA-N 335.392 4.055 0 1 EIAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1 587049939 JRQZPCFORCZBAM-UHFFFAOYSA-N 335.194 4.199 0 1 EIAF O=C(c1cnc(Cl)nc1C(F)(F)F)c1coc2ccccc12 587281137 XUGIUXFKVWTBCW-UHFFFAOYSA-N 326.661 4.126 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccs3)s1)O2 587414687 UWGUEMPOBSRJMT-CYBMUJFWSA-N 342.445 4.469 0 1 EIAF CNc1cc(Cl)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496968 DBYLWUJQNJONGI-KRWDZBQOSA-N 342.826 4.362 0 1 EIAF O=C1C[C@@H](c2cc(F)cnc2Cl)Oc2c1ccc1c2CCCC1 587509549 SOVRPWLPLPEWNQ-INIZCTEOSA-N 331.774 4.459 0 1 EIAF COc1cc(C)ccc1OCc1nc2cccc(Br)c2[nH]1 587564149 LAHHXMDQHORQPO-UHFFFAOYSA-N 347.212 4.221 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(=O)C(C)(C)C)N1 587813053 MPXCFOPOEAIBEI-YMTOWFKASA-N 342.252 4.169 0 1 EIAF CCSCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587845069 MODAWDABWJDJAV-SKDRFNHKSA-N 332.282 4.307 0 1 EIAF CCC(=O)[C@@]1(CC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640600 MEFOIYYDAWMFRN-NFBKMPQASA-N 348.490 4.018 0 1 EIAF CC(C)c1nn(C)c2c1[C@H](c1c(Cl)ccc(F)c1Cl)NCC2 962913288 CFZKGZSPXCJLFJ-INIZCTEOSA-N 342.245 4.225 0 1 EIAF Cc1cc2cc([C@H]3NCCc4c(C)ccnc43)c(Cl)nc2cc1C 963070151 FDWBHYSGPIMVAJ-LJQANCHMSA-N 337.854 4.444 0 1 EIAF COc1ccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c(C)c1 963096703 GDFVQLOASULBEF-IIBYNOLFSA-N 325.427 4.427 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]21CCc2nc(Cl)ccc21 963096854 DXRDZKSLTKDWPN-KUHUBIRLSA-N 328.818 4.084 0 1 EIAF Cc1cc2nc(CO[C@@H]3CN(C4CCCCC4)C[C@@H]3F)[nH]c2cc1C 2356302062 LFBLJAYSWQPIIL-QFBILLFUSA-N 345.462 4.051 0 1 EIAF COC(=O)c1c(O)cc(OC)c(CC=C(C)CCC=C(C)C)c1O 2356524559 JOEKSPJWFHNXBT-UHFFFAOYSA-N 334.412 4.128 0 1 EIAF CC(C)[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 95566593 FFUQJTSTQDCUMW-BBRMVZONSA-N 336.815 4.390 0 3 EIAF O[C@H](Cc1ccc(F)cc1)C1CCN(CCCc2ccccc2)CC1 13729997 NWHFTMRBTIYJST-JOCHJYFZSA-N 341.470 4.074 0 1 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@H]12 14439715 BNJWIAKPZPKUQY-VDGAXYAQSA-N 328.408 4.135 0 1 EIAF biogenic COc1ccc(-c2cc(NCCN(C)C)c3ccccc3n2)c(F)c1 28641630 INWLRHHTHICJPI-UHFFFAOYSA-N 339.414 4.023 0 1 EIAF Cc1ccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)nc1 28713274 XQJOSZVQAYLJSI-DKENDCILSA-N 328.481 4.012 0 1 EIAF CSc1ccc(NN2C(S)=N[C@H](C)[C@@H]2c2ccccc2)cc1 29332009 RGIDQVFRBZHVPG-MLGOLLRUSA-N 329.494 4.467 0 1 EIAF CC(C)=CCOc1cc(Nc2ncnc(Cl)n2)ccc1Cl 35010586 XZQHKFNGXFPDDK-UHFFFAOYSA-N 325.199 4.267 0 1 EIAF COc1ccc(Oc2cc(NC[C@H](C)c3ccccc3)ncn2)cc1 82068360 DQYKQYYZEDYUIQ-HNNXBMFYSA-N 335.407 4.493 0 1 EIAF CC(C)Cc1ccc([C@@H](C)C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)cc1 102053003 UZRZFHJTHKHIRC-MNEFBYGVSA-N 329.484 4.157 0 1 EIAF O=C(Nc1ccc(CC[C@@H]2CCCCN2)cc1)c1ccc(F)cc1 117720843 AFCKSHLXPSBSGE-SFHVURJKSA-N 326.415 4.153 0 1 EIAF Clc1c(-c2nc3c(Cl)ccnc3[nH]2)ccnc1Br 587005835 VPJUUKPOFKBLEL-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Fc1cnc(Cl)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c12 587068225 MMAXXEZVQDXPCR-UHFFFAOYSA-N 348.168 4.461 0 1 EIAF Cc1ccc2c3c(c4c(nc13)-c1cncnc1CC4)-c1ccccc1C2=O 587096107 GXXSRAHZELGPEN-UHFFFAOYSA-N 349.393 4.310 0 1 EIAF CNc1c(F)cccc1-c1nc2cc(Br)cc(C)c2[nH]1 587135807 OSXDJVNVQWULLM-UHFFFAOYSA-N 334.192 4.482 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(Cl)ncc3c1)O2 587380017 NXTCTLZGFOTYOW-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF COc1cc(C)c(C)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400282 QBDJIJZLRUQKTJ-HXUWFJFHSA-N 325.408 4.083 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCC3)Oc3ccccc31)O2 587406913 FNYDRQAPJNHAGA-NRFANRHFSA-N 335.403 4.143 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](O)c3ccccc31)CC2=O 587487404 ZQTQBDCPPCENJQ-GHTZIAJQSA-N 338.403 4.033 0 1 EIAF CC(C)COc1cccc(OCc2nc3c(F)cnc(Cl)c3[nH]2)c1 587566036 QLYWTOFXASDGHN-UHFFFAOYSA-N 349.793 4.364 0 1 EIAF CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)cn1 587624358 HQWVDTWDMUMLSE-UHFFFAOYSA-N 337.757 4.461 0 1 EIAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632878 LUWXJQUQLRJMNT-UHFFFAOYSA-N 345.757 4.373 0 1 EIAF Fc1c(F)c(F)c2[nH]c(COC/C=C\c3ccccc3)nc2c1F 587780975 NXOIAIIICFMAOV-DAXSKMNVSA-N 336.288 4.349 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587952361 POIMIZDORUVHCH-AQMVCYDESA-N 330.432 4.333 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587964096 YQBGZHGFLPKYSI-IUCAKERBSA-N 328.359 4.333 0 1 EIAF CCn1c(O)nc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 1857604078 UUFPORWNFSMLOF-UHFFFAOYSA-N 336.313 4.360 0 1 EIAF COc1cc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)ccc1O 1857636561 JPDORDSJPIKURD-RWLOKEPNSA-N 342.391 4.214 0 1 EIAF CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)COC3=O)cc1 1857647158 AQVCFBUQGMNYDI-AWEZNQCLSA-N 337.419 4.298 0 1 EIAF COc1ccc(-c2c[nH]c([C@H](O)c3ccc(C(C)(C)C)cc3)n2)cc1 61897952 HBKCEEYSXJRYOC-LJQANCHMSA-N 336.435 4.465 0 3 EIAF Brc1cnc2nc(-c3ccco3)c(-c3ccco3)nc2c1 211831 QYGXGFBDKXUYQV-UHFFFAOYSA-N 342.152 4.307 0 1 EIAF COc1ccc2cc(O)c(C(=O)NCc3ccc(Cl)cc3)cc2c1 6484986 OOQRISXVIGQXSI-UHFFFAOYSA-N 341.794 4.137 0 1 EIAF c1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)[nH]n2)cc1 12356149 QAPWGFAFNBTWSU-UHFFFAOYSA-N 331.463 4.380 0 1 EIAF NC(=O)c1ccc2[nH]c(-c3ccc4oc5ccccc5c4c3)nc2c1 13612066 GJVMIPTXJYBNCN-UHFFFAOYSA-N 327.343 4.228 0 1 EIAF COc1c2c(c3ccc(=O)oc3c1CC=C(C)C)OC(C)(C)C=C2 15121897 NOGMHSRRWYDWTM-UHFFFAOYSA-N 326.392 4.495 0 1 EIAF biogenic,in-vitro COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)CC[C@@H]21 17140615 IURJXDRUVNGNGB-CQAWWZBVSA-N 332.484 4.101 0 1 EIAF CCc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 26489206 YQXZLKFXPKFYDW-UHFFFAOYSA-N 341.411 4.224 0 1 EIAF Cc1[nH]cnc1Cc1nc(-c2ccc(Br)cc2)cs1 26653554 YOSWXGILPVRRKK-UHFFFAOYSA-N 334.242 4.195 0 1 EIAF O=C(Cc1ccccc1)NCc1cccc(N2CCc3ccccc32)c1 27856603 OJWRGFICJNZPNF-UHFFFAOYSA-N 342.442 4.240 0 1 EIAF Nc1c(Cc2ccccc2Cl)cnc(=S)n1-c1ccccc1 40762946 CGAPLSGOZVXHGR-UHFFFAOYSA-N 327.840 4.428 0 1 EIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1ccc(F)cc1n2CCF 73199281 QJLZJESMFQBPJH-HNNXBMFYSA-N 334.410 4.038 0 1 EIAF COc1cc2ncnc(Nc3ccc(Cl)cc3)c2c(OC)c1OC 96916676 RBNJUXCEVZSGNI-UHFFFAOYSA-N 345.786 4.053 0 1 EIAF CC(=O)C[C@@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(F)cc1 103176588 IJVNBZLPBLFYRW-LJQANCHMSA-N 348.381 4.098 0 1 EIAF CC[C@@]1(C(=O)NCCc2ccc(Cl)s2)[C@@H](C)C1(Cl)Cl 103296646 OACHGQWHNADBRX-PELKAZGASA-N 340.703 4.280 0 1 EIAF Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3C(C)C)nn12 113423380 JILPRJWKADJBBG-UHFFFAOYSA-N 345.450 4.267 0 1 EIAF Brc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2n1 586887507 UOHCBWSVJNAGHA-SJKOYZFVSA-N 340.224 4.092 0 1 EIAF COc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1F 587068385 UKWLSUXLHXVJNE-UHFFFAOYSA-N 342.761 4.421 0 1 EIAF Cc1cc(Br)c2[nH]c([C@H](C)n3cc(Cl)cn3)nc2c1 587078927 CZOCYJRRBOFHDB-QMMMGPOBSA-N 339.624 4.093 0 1 EIAF Cc1c([C@H]2CCCNC2)nc2cccc3c2c1-c1ccccc1C3=O 587105870 GDTQLTUNSAJJBC-AWEZNQCLSA-N 328.415 4.222 0 1 EIAF Cn1cc(-c2nc3ccc(Br)cc3[nH]2)c(C(F)(F)F)c1 587112626 PEJBUPNSSRPDJV-UHFFFAOYSA-N 344.134 4.350 0 1 EIAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587117849 LRUUWZAGVMLFOR-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF C[C@]1(c2nc3cccc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587153902 BFQBJLFWNKUWPA-QGZVFWFLSA-N 329.762 4.147 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1 587160581 DOLONMVNHPWAMK-MNOVXSKESA-N 332.176 4.131 0 1 EIAF CSc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587385791 QFJAXVMQDTZWJR-SFHVURJKSA-N 331.412 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c4ccccc14)[C@@H](C2)C3=O 587426268 AEEQGVKKNLTREV-HRAATJIYSA-N 334.346 4.476 0 1 EIAF CC[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773082 HWHIVARRVZDTID-GTNSWQLSSA-N 349.247 4.171 0 1 EIAF CCSCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587845068 MODAWDABWJDJAV-JOYOIKCWSA-N 332.282 4.307 0 1 EIAF CC[C@@]1(CSC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845529 NDNJFXSYIQAYQI-XPTSAGLGSA-N 332.282 4.091 0 1 EIAF CCc1ccc2nc(NC(=S)NCc3ccccc3)sc2c1 653723619 PBQBDBBJPODOQV-UHFFFAOYSA-N 327.478 4.345 0 1 EIAF Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@@H]32)cc1 653862722 GSQQJUAMMIUYRX-RZUBCFFCSA-N 342.398 4.191 0 1 EIAF Cc1nc2ccccn2c1[C@@H]1c2ccsc2CCN1Cc1ccco1 962706615 JRTNEQWBSWBJCK-FQEVSTJZSA-N 349.459 4.445 0 1 EIAF Cc1sc2c(c1C)CCN[C@H]2c1sccc1Br 963007205 HCUTWFLPWDNSET-LLVKDONJSA-N 328.300 4.424 0 1 EIAF CN(C/C=C/c1ccc(C(F)F)cc1)Cc1ccc2c(c1)OCO2 1857537553 JWIUNYZPOLXKAT-NSCUHMNNSA-N 331.362 4.498 0 1 EIAF CC1=C[C@H](O)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1 2356426140 QLVPTADECVIDJG-JRNUACSKSA-N 330.424 4.017 0 1 EIAF c1ccc(CNc2nc(Oc3ccncc3)c3sccc3n2)cc1 61907547 SUENYBFUEXQBTI-UHFFFAOYSA-N 334.404 4.491 0 3 EIAF O=c1cc(-c2ccccc2O)oc(O)c1SCc1ccccc1 6580409 ZVKLXBGAMYJVLE-UHFFFAOYSA-N 326.373 4.010 0 1 EIAF c1cc(OCCCN2CCCCC2)ccc1CNC1CCCCC1 13526546 VMBGKHZBGBIRGK-UHFFFAOYSA-N 330.516 4.364 0 1 EIAF COc1ccc([C@H]2CCN(C(=O)OC(C)C)C2)cc1OC1CCCC1 13741103 YZYWOOSGMNBVOB-INIZCTEOSA-N 347.455 4.351 0 1 EIAF COc1ccc2c(c1)oc(=O)c1c(C)nn(-c3cc(C)ccc3C)c12 299827599 PKJAAPUAEUSNLR-UHFFFAOYSA-N 334.375 4.066 0 1 EIAF CCOC(=O)[C@@H]1C(=O)C[C@H](C(C)(C)C)N(C(C)(C)C)[C@H]1C(C)(C)C 299846329 KPYFKVPHCLOTGI-BZUAXINKSA-N 339.520 4.068 0 1 EIAF Cc1c(Br)cc2nc([C@@H](N)c3ccsc3)[nH]c2c1C 587026585 ZICXDWSPKQEWRE-LBPRGKRZSA-N 336.258 4.052 0 1 EIAF O=C1c2ccccc2-c2cc(C[C@H]3CCCCN3)nc3cccc1c23 587105593 AJPQXUQGWCQSTH-CQSZACIVSA-N 328.415 4.131 0 1 EIAF O=C1CCc2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc2N1 587108418 QBGSBQXPJFRGSP-UHFFFAOYSA-N 345.324 4.057 0 1 EIAF C[C@]1(c2nc3ccc4ncccc4c3[nH]2)C=C(c2ccccc2F)NO1 587156495 ODLAZLTXTOSNIK-HXUWFJFHSA-N 346.365 4.041 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)c2c1 587175450 ULOCTRAHHSOKRB-UHFFFAOYSA-N 335.169 4.476 0 1 EIAF Cc1cc(Br)cc2nc(/C=C/c3ccc(N)cc3)[nH]c12 587251989 SQULDBOYALFVEY-QPJJXVBHSA-N 328.213 4.386 0 1 EIAF COc1ccccc1[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398703 HBAQNVHFPJQRTO-NRFANRHFSA-N 339.435 4.493 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1[nH]c4ccccc4c1Cl)[C@@H](C2)C3=O 587419509 FLGWZOJBFAUAGV-BUXKBTBVSA-N 339.778 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(F)c(C)c1)[C@@H](C2)C3=O 587424036 NFKIZFIBBDGSSY-YWZLYKJASA-N 326.367 4.114 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(F)ccc(Cl)c41)[C@@H](C2)C3=O 587427907 LRYANCYVYUQSAT-BUXKBTBVSA-N 344.769 4.077 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)Sc4ccccc41)[C@@H](C2)C3=O 587453126 QFRYLZJUKDFEDA-UYHHGJEOSA-N 338.428 4.222 0 1 EIAF CCSc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453346 RVQLNQISYLBTQD-OXQOHEQNSA-N 340.444 4.470 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)[nH]1)CC2=O 587487926 ZAVUXPORWSHZHL-LJQANCHMSA-N 348.402 4.441 0 1 EIAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587508099 YRHDPHLJOZZENK-SFHVURJKSA-N 326.367 4.420 0 1 EIAF CC1(C)[C@@H](C(=O)O)C[C@H]1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530409 UOWOPFSDXOTYEA-CEQIKUNHSA-N 342.435 4.036 0 1 EIAF COc1ccc(C[C@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1OC 587926726 OAZFTGNCNZFUMN-ZDUSSCGKSA-N 347.418 4.475 0 1 EIAF CCOC(=O)C1(C)CCC2(CC1)c1ccc(F)cc1C[C@@H]1CCCN12 963086731 BXXBABWKMHZDAM-RPCJCACASA-N 345.458 4.185 0 1 EIAF Fc1cccc2c1[C@@H](c1nc3c(s1)CCCC3)N1CCC[C@@H]1C2 963096689 GAKHGVJWKQTBTE-ACJLOTCBSA-N 328.456 4.271 0 1 EIAF O=S1(=O)C=Cc2cccc(Nc3ccccc3C(F)(F)F)c21 1772589630 CTFSUGIBYJAFMI-UHFFFAOYSA-N 325.311 4.207 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)C[C@@H]1OC(=O)CC(C)C 2356550275 SIUAVQRZOGXWGS-AYBZRNKSSA-N 348.483 4.446 0 1 EIAF CCOC(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 3160304 HROQDZLNVJMEMH-SECBINFHSA-N 328.648 4.221 0 3 EIAF CC(C)c1cccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)c1 28769245 NKJVHBUEZJVPSI-DDBXPCSUSA-N 345.389 4.322 0 1 EIAF COc1cc(Cc2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC 45290834 MYOOISHTSLUWIS-UHFFFAOYSA-N 331.799 4.438 0 1 EIAF CC[C@@H]1c2c(nc3c(c2N)CCCC3)Oc2c1c(=O)oc1ccccc21 96284182 RITQLPXGOBXXJX-LLVKDONJSA-N 348.402 4.297 0 1 EIAF CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 103266139 DHEQQYQJFQDLGG-UHFFFAOYSA-N 336.479 4.061 0 1 EIAF COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O 105154847 PKAIECBWQZFYRP-IOYKRAMTSA-N 330.424 4.172 0 1 EIAF CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253637553 IALGVABNIXIPEW-VHDGCEQUSA-N 332.465 4.448 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587062207 NXMIDHNLRMPBQM-CQSZACIVSA-N 342.786 4.328 0 1 EIAF COc1cc(OC)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587085764 GKZRLCINVCHLMZ-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF Cc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1C 587119407 UMIXBGDHEWPSRV-UHFFFAOYSA-N 334.345 4.321 0 1 EIAF N[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F 587158308 WIUXPAJZQJGFBY-XXFAHNHDSA-N 336.197 4.350 0 1 EIAF COc1cc(C)c(C)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400280 QBDJIJZLRUQKTJ-FQEVSTJZSA-N 325.408 4.083 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1sc(C(C)C)nc1C)[C@@H](C2)C3=O 587449742 GVYZOFNTVZEPAS-DJJJIMSYSA-N 343.448 4.246 0 1 EIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(F)c1O 587509906 YFVZOENJINFNGC-QGZVFWFLSA-N 342.366 4.125 0 1 EIAF O=C1C[C@H](c2ccccc2-n2ccnc2)Oc2c1ccc1c2CCCC1 587515384 LUNXUHJDDFBBLG-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587773963 SUJKNNNEJVMJNM-PIGZYNQJSA-N 349.247 4.224 0 1 EIAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587778087 GZCPXUYNJOCLID-UHFFFAOYSA-N 335.329 4.356 0 1 EIAF CC(C)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813360 BWDRCYQJJOQEBF-MGPLVRAMSA-N 326.253 4.384 0 1 EIAF COc1cc(OC)c2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2c1 587929204 HHKBEVKMUNBKTM-VBKZILBWSA-N 338.407 4.034 0 1 EIAF CCOC1=CCCC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962698685 JEDHUPGVTWONBR-MGPUTAFESA-N 347.499 4.489 0 1 EIAF CN1CCc2c(Br)cccc2[C@@]12CCC[C@H]2CCF 963280092 MDVRLOHDCZDNKH-LRDDRELGSA-N 326.253 4.292 0 1 EIAF CC(C)c1ccc2c(c1)C(=O)C1(CCN(CC3CCCC3)CC1)N2 1911585752 PAUPDSPCUULLAE-UHFFFAOYSA-N 326.484 4.443 0 1 EIAF O=C(Cn1nc(-c2ccccc2)c2ccccc21)Oc1ccccc1 95755637 XODFSYDXGSMTSO-UHFFFAOYSA-N 328.371 4.309 0 3 EIAF CCC(=O)OCCCN1C(=O)CCC12CCC(c1ccccc1)CC2 96019320 KVIOSWFMEUXFRS-UHFFFAOYSA-N 343.467 4.049 0 3 EIAF Cc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)n1 13141304 QEAJRRPWASRQEK-UHFFFAOYSA-N 325.393 4.028 0 1 EIAF O=C1NC(=O)/C(=C\c2cccc(Oc3ccc(Cl)cc3)c2)S1 28703302 JDXRJNULTZCFLI-NTEUORMPSA-N 331.780 4.456 0 1 EIAF COc1ccc(-c2noc(-c3ccncc3)n2)cc1OC1CCCC1 42989802 DFOXNUYLOQDTKU-UHFFFAOYSA-N 337.379 4.129 0 1 EIAF Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)no1 73141745 HIHMHPBFMUZGJN-ZDUSSCGKSA-N 329.208 4.068 0 1 EIAF CO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 101724128 XLKDRFPRFDLGBV-GROYHEBESA-N 337.354 4.287 0 1 EIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)c(Cl)c1 117718152 ORXKPQKZTOYBFR-ZDUSSCGKSA-N 335.234 4.323 0 1 EIAF CC(C)(C)c1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccccc3)c2n1 136449196 XEZUGFIULVEALW-UHFFFAOYSA-N 335.329 4.006 0 1 EIAF CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C 238753268 JIUYRYQJXGQPHK-JCLXGSSSSA-N 332.440 4.396 0 1 EIAF biogenic COC(=O)c1cccc2nc(CSc3ccc(C)cc3C)[nH]c12 586964398 CIYUHIPMJKFVTF-UHFFFAOYSA-N 326.421 4.259 0 1 EIAF Cc1csc(SCc2ccc(-c3nc4cnncc4[nH]3)cc2)n1 587021711 PLQBXBRBMYTDQJ-UHFFFAOYSA-N 339.449 4.077 0 1 EIAF COc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1OC 587023540 LGDHIYMDNRWHRW-UHFFFAOYSA-N 343.433 4.432 0 1 EIAF Nc1c(-c2nc3cnccc3[nH]2)sc2cc(Br)ccc12 587030215 BCUYLEVCYAIWCQ-UHFFFAOYSA-N 345.225 4.184 0 1 EIAF O[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl 587058492 GURVXVUEUSMKEA-ZDUSSCGKSA-N 342.704 4.197 0 1 EIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(=N)N)ccc2[nH]1 587066876 UBFXRGRLPORCNU-UHFFFAOYSA-N 349.825 4.266 0 1 EIAF Cc1ccc(Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1C(F)(F)F 587095748 TZERRHWEMHRHRV-UHFFFAOYSA-N 334.297 4.179 0 1 EIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(O)c2[nH]1 587164233 YNVNKHBXJWPLMB-UHFFFAOYSA-N 332.334 4.306 0 1 EIAF CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357098 SNSVULHNHKHFSK-ICSRJNTNSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccccn1)O2 587384581 MWIPBSHBUKXRCI-OAQYLSRUSA-N 348.377 4.020 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423514 UWFQEKIJLVYVPP-JXFKEZNVSA-N 340.806 4.328 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccc1F)CC2=O 587466085 JOULBXBJXSGOMQ-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF CC(=O)Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530115 CUQZBUVTSHXPAG-MRXNPFEDSA-N 341.432 4.292 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(F)(F)F 587622171 ZMRCDLQGPBSZHN-UHFFFAOYSA-N 332.123 4.220 0 1 EIAF Cc1cncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587775851 UIYOFYXDVFXCPY-DYZYQPBXSA-N 349.247 4.224 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccs2)N1 587853749 RIILWTAIYCOUAR-RMLUDKJBSA-N 326.234 4.273 0 1 EIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587931788 SZWQXCJFQBZBPY-MGNBDDOMSA-N 332.325 4.434 0 1 EIAF NC(=S)c1cccc(-c2cn(CC(F)(F)F)c3cc(N)ccc23)c1 1857585278 PPJWCIJUZLKBJH-UHFFFAOYSA-N 349.381 4.087 0 1 EIAF COCCCN(C(=O)Nc1cccc(Cl)c1)[C@H](C)c1ccccn1 17440241 APCUEFSTYZZQEF-CQSZACIVSA-N 347.846 4.367 0 3 EIAF Cc1csc(NC(=O)c2ccc(COc3cccc(F)c3)o2)n1 95755411 JKRACJPQCOHAFX-UHFFFAOYSA-N 332.356 4.015 0 3 EIAF O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 8802 BBRSCGBAIAKATH-UHFFFAOYSA-N 336.174 4.400 0 1 EIAF CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@H](C)C[C@@H]21 4125127 ADNNEGQOWCOQPG-IGYLDYBFSA-N 336.516 4.258 0 1 EIAF COC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OC 13730613 NSOCIUPKPBYNCH-UHFFFAOYSA-N 340.448 4.455 0 1 EIAF CCOC(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1ccsc1 28896706 ODAFQKIWRIFCIF-UHFFFAOYSA-N 325.393 4.278 0 1 EIAF C[C@@H](CCOc1ccccc1)CCOc1cccc(NC(N)=S)c1 40954161 VVESKFRCGVKZGV-HNNXBMFYSA-N 344.480 4.216 0 1 EIAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(O)cc1 68245902 JSBOHMYHRMOLNZ-CJNGLKHVSA-N 338.403 4.159 0 1 EIAF CC(C)(C)CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71318722 PORRENKXECKQDA-UHFFFAOYSA-N 347.484 4.330 0 1 EIAF CCOc1ccccc1CNCc1coc(-c2ccc(F)cc2)n1 72101147 RZXLFJWQCUHEPI-UHFFFAOYSA-N 326.371 4.169 0 1 EIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1ccc(C2CCCC2)cc1 96248454 AONWVFVOUGKEOC-NHCUHLMSSA-N 340.511 4.350 0 1 EIAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(-c2ccncc2)n[nH]1 96935108 SXXGBCASVHWDCM-UHFFFAOYSA-N 348.193 4.423 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169366932 WGPZAVZHAGYUOL-AHGXXGQGSA-N 331.500 4.055 0 1 EIAF O=C(NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1)c1cc[nH]c1 261135340 LXQKQWCFBZETPC-CALCHBBNSA-N 326.440 4.020 0 1 EIAF NCc1cccc(-c2cccc(OCc3ccccc3CC(=O)O)c2)c1 584593999 OPJHZSZMYGOFEH-UHFFFAOYSA-N 347.414 4.018 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586883360 BIMGMTHXNDIXPC-CXAGYDPISA-N 329.325 4.348 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(F)cc4[nH]3)oc12 586903408 KGGMJONKBYIESV-UHFFFAOYSA-N 346.264 4.215 0 1 EIAF CCOCc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)o1 586903596 RGCKIMAKQVHGDO-UHFFFAOYSA-N 335.201 4.430 0 1 EIAF Fc1c(Cl)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1F 587033929 ACQJGEKICUFUOT-SNVBAGLBSA-N 340.782 4.413 0 1 EIAF Fc1ccc2c(c1)C[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)O2 587173243 AKCUOCOVDSIJIA-CYBMUJFWSA-N 338.260 4.277 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2c1 587174270 FQYOYZYGVRTHKG-UHFFFAOYSA-N 349.344 4.099 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(Cc3ccccc3)c1)O2 587390421 MUNDXKLVUWFMJS-HXUWFJFHSA-N 332.403 4.134 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)F)c(OC)c1)[C@@H](C2)C3=O 587424037 WKOCBPVSMGPIJB-UGSOOPFHSA-N 346.329 4.130 0 1 EIAF CCCCOc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444087 XYCKTPNQDRTNSE-IIBYNOLFSA-N 338.403 4.363 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]2CC[C@]1(C)C2(C)C 587477476 CIJKNGPYQGDDKI-XMDBHEJHSA-N 342.435 4.074 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCC3(CCOC3)CC1)CC2=O 587491639 OTISUOHCALVASO-UHFFFAOYSA-N 330.424 4.029 0 1 EIAF Cn1cc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 587517569 PTRAXRVNGCNLMC-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF COc1ccc(C=O)cc1-c1nc2cc(C)cc(Br)c2[nH]1 587787779 RFEUINXNRSSYMZ-UHFFFAOYSA-N 345.196 4.122 0 1 EIAF CSC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587843173 HHPBJLMESXSOLW-SDBXPKJASA-N 330.266 4.059 0 1 EIAF O=C(O)C[C@@H](c1cc(F)cc(-c2cccc(F)c2F)c1)c1ncco1 1772581406 XPSOZSMLEBNQOY-AWEZNQCLSA-N 347.292 4.366 0 1 EIAF O=C1OC[C@H](Cc2ccccc2)[C@H]1Cc1cccc(C(F)(F)F)c1 1772604258 NWKHIBLSJDZEGO-DOTOQJQBSA-N 334.337 4.280 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C=C[C@@]2(C)O)Oc2ccc(O)cc2C[C@@]13C 2356799506 UNJQRWVMOXUQOP-SHAOPOSNSA-N 328.452 4.075 0 1 EIAF CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCCC1 413131 DQUBFPGOBOSQEV-UHFFFAOYSA-N 328.481 4.129 0 3 EIAF COCc1cccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)c1 61906483 JSCUJQASQSTCGF-IBGZPJMESA-N 343.423 4.351 0 3 EIAF FC(F)(F)c1ccccc1C1=C[C@H](c2ccccc2)n2ncnc2N1 101723860 WWKOXBDCPRRTSB-MRXNPFEDSA-N 342.324 4.353 0 3 EIAF C[C@@H](NC(=S)Nc1ccc(Br)cn1)C1CCCCC1 26124 WMMABLBMGCIGSP-SNVBAGLBSA-N 342.306 4.099 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@H]1CCN(CCC)[C@H]1C2 3804234 LKLDMKAWSUSARS-QUCCMNQESA-N 344.499 4.479 0 1 EIAF O=C(Nc1ccc2c(c1)CCC[C@H]2O)c1cc2cc(Cl)ccc2[nH]1 3963205 MWAVJQBYHXNOOG-GOSISDBHSA-N 340.810 4.443 0 1 EIAF COc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1 4258573 ISJJYXAHWPHCEL-UHFFFAOYSA-N 342.402 4.313 0 1 EIAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2 7598809 QDCXEVPVABTQSO-FPYGCLRLSA-N 349.308 4.129 0 1 EIAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCC2CCCCC2)C1 13782834 CUCVCEWRTFMXDA-FQEVSTJZSA-N 327.468 4.145 0 1 EIAF Cc1ccc(C2CCN(C(=O)n3oc(=O)c(C(C)C)c3C)CC2)cc1 26844295 XCBVKXKTPQDRPF-UHFFFAOYSA-N 342.439 4.029 0 1 EIAF Cc1cccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 28713280 WALLGOIBLNJRNB-DKENDCILSA-N 328.481 4.012 0 1 EIAF O=C(Nc1ccccc1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12 28950401 ZWSLNVNNPVKSIC-UHFFFAOYSA-N 329.359 4.188 0 1 EIAF CC[C@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 29208496 VUOSBBZWOPIIAE-XIHNBGGYSA-N 343.320 4.297 0 1 EIAF O=C(CCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1 43103598 UVAUREKIKQFMEO-UHFFFAOYSA-N 337.467 4.343 0 1 EIAF CCc1ccc(-c2cnc(N)c3cc(-c4ccnc(N)n4)ccc23)cc1 45226640 SDOORWJNILNLKK-UHFFFAOYSA-N 341.418 4.086 0 1 EIAF CCO[P@](=O)(NCC(C)C)Oc1ccc(C(F)(F)F)cc1 72124358 KHDSQAFRZJSLOJ-OAQYLSRUSA-N 325.267 4.474 0 1 EIAF CCCCOCCCNc1cc(-c2ccc(OCC)cc2)ncn1 82161761 BFXKLFOVQQJAEU-UHFFFAOYSA-N 329.444 4.161 0 1 EIAF O=C(NC1CCCCC1)c1cc2cc(OC(F)(F)F)ccc2[nH]1 84687333 LBCWUHVGBUPGPG-UHFFFAOYSA-N 326.318 4.129 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586885408 BJMJLFINKUBSED-LKFCYVNXSA-N 336.222 4.410 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 586895082 NWEGSIGOKCBYDC-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Cc1cc(Br)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 586895511 KOOIUCVNIODVOQ-UHFFFAOYSA-N 349.272 4.218 0 1 EIAF O=C1c2ccccc2-c2c(CC3CCOCC3)cnc3ccc(O)c1c23 586990876 IEEPYICWJXLSNY-UHFFFAOYSA-N 345.398 4.121 0 1 EIAF Cc1nc2c(C)ccc3c2c(c1CCN(C)C)-c1ccccc1C3=O 586996432 NPRZDRCZJWFWHX-UHFFFAOYSA-N 330.431 4.167 0 1 EIAF OCc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587077164 RVHJILVRBJMKKW-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF Cc1ccc2c3c(cc(Cn4nccc4C)nc13)-c1ccccc1C2=O 587096245 GDQCKCOEBHUSEZ-UHFFFAOYSA-N 339.398 4.308 0 1 EIAF CCCCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108196 WYBSVSUYRSVIMD-UHFFFAOYSA-N 345.398 4.332 0 1 EIAF COc1cc(-c2nc3ccc(F)c(C)c3[nH]2)nn1-c1ccccc1F 587157250 YNSUPRQTKHLQRZ-UHFFFAOYSA-N 340.333 4.011 0 1 EIAF COc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587205332 PMBSDPMNOZEKPW-OAHLLOKOSA-N 347.459 4.053 0 1 EIAF Cc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 587223538 CJWUJCABZDUOEY-CQSZACIVSA-N 330.432 4.022 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)s1)O2 587409098 GONNPCOIXODUBA-MRXNPFEDSA-N 342.464 4.336 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(C)C)[C@@H](C2)C3=O 587439743 CIUWHFMIAWOPHA-HRAATJIYSA-N 338.403 4.219 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OC(C)C)C1(C)C 587481192 QAQAMOLPVBPNPR-YLJYHZDGSA-N 332.440 4.272 0 1 EIAF COc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(OC)c1C 587788329 XVFUGOJVSUJEIT-UHFFFAOYSA-N 347.212 4.318 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2)N1 587821952 YXLADXYCZKATMV-BMLIUANNSA-N 348.215 4.024 0 1 EIAF Cc1ccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)cc1 1857647522 BKOPRLUZGRNPJH-UHFFFAOYSA-N 331.375 4.276 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C=C4OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]12 2356368560 MKJJWVLPTZDSTH-JSUODOQNSA-N 344.451 4.015 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3647618 WGPZAVZHAGYUOL-JHQGUCBUSA-N 331.500 4.055 0 1 EIAF CNCCN1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@@H]1C 28771952 ZJPZIXYYOUMUOJ-ZDUSSCGKSA-N 327.859 4.135 0 1 EIAF Cc1c(-c2ccon2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 29123453 QLTRXQPCEQNLNA-UHFFFAOYSA-N 344.374 4.088 0 1 EIAF O=C(O)CCCCCCCCCCCNC(=O)c1ccccc1O 34020808 IIELPPFARWERSK-UHFFFAOYSA-N 335.444 4.108 0 1 EIAF CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 34801219 ZTSSPWOMQLQKPF-OAYGGAORSA-N 329.484 4.134 0 1 EIAF O=C(CCCCCCCCCCc1ccccc1)N[C@H]1CCOC1=O 40379121 OVBODEHQKJBHAL-IBGZPJMESA-N 345.483 4.172 0 1 EIAF CCN(CC)CCCCN1c2ccccc2O[C@@H]2C=CC(Cl)=C[C@@H]21 40865340 AYSVOHVYHXXWHC-AZUAARDMSA-N 346.902 4.437 0 1 EIAF NC[C@H](CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40893576 YDRKDXNMZVEHNN-OAHLLOKOSA-N 348.475 4.446 0 1 EIAF c1ccc(Nc2nc3nsnc3nc2Sc2ccccc2)cc1 82053117 MDMXQSNVTXUIEO-UHFFFAOYSA-N 337.433 4.376 0 1 EIAF CC[C@@H](C)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21 101944098 FSLROBKNJCTZIC-CVGURMSBSA-N 328.283 4.286 0 1 EIAF COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C=CC=C[C@H]12 105499343 OVHUTOPKMFWCLP-FUAUIPCOSA-N 342.049 4.006 0 1 EIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)OCCc1ccc(Cl)cc1 117730536 YHJSSTNTUKLGHQ-MRXNPFEDSA-N 344.842 4.208 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169368994 QNMBJXHTULXJII-SKQVIJGQSA-N 345.527 4.399 0 1 EIAF CCCC(=O)NCc1c(-c2ccc(Cl)cc2)nc2ccccn12 205933401 UXUAEUZDVMLSHO-UHFFFAOYSA-N 327.815 4.071 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCC[C@@H](N)C3)cc12 226059144 SHNSWJMXXCDMNG-GXTWGEPZSA-N 339.414 4.363 0 1 EIAF Cc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586901424 HGLFHQSQLRJWRX-WBMJQRKESA-N 343.224 4.203 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586914692 XSTWLWDNECSPIG-APPZFPTMSA-N 344.640 4.046 0 1 EIAF Cc1ccc(-c2nc(-c3nc4cnc(Cl)[nH]c-4n3)c(C)s2)cc1 587012408 AOWYYYMIKIXJPQ-UHFFFAOYSA-N 341.827 4.365 0 1 EIAF Clc1ccccc1OCc1ccc(-c2nc3ncc[nH]c-3n2)cc1 587063506 OTHGJYMMIKTEOE-UHFFFAOYSA-N 336.782 4.204 0 1 EIAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(Br)cc2[nH]1 587089337 AXSFZZNLCUQGOW-MRVPVSSYSA-N 331.494 4.249 0 1 EIAF COc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1OC 587152330 LWMDAEMDBAOANC-MNOVXSKESA-N 330.334 4.129 0 1 EIAF COCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351760 UYHBLKLBLJTUGQ-AZUAARDMSA-N 344.382 4.076 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](N)CC3)c1 587363492 RUGJLMKZNQFOKH-AWEZNQCLSA-N 344.414 4.473 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccc(F)cc1)O2 587384392 LJFNOHBCFBBLOJ-NRFANRHFSA-N 348.377 4.020 0 1 EIAF CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(CC)c1O 587450014 LNLLKJMXMKKMOO-IERDGZPVSA-N 338.403 4.014 0 1 EIAF COc1cc2c3c(c1)O[C@@H](C(C)(C)Sc1ccccc1)[C@@H](C2)C3=O 587450745 URQLTBDHIURWQJ-HNAYVOBHSA-N 340.444 4.382 0 1 EIAF O=C(O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587504264 IIDXLGSMYFNBOH-SFHVURJKSA-N 340.350 4.109 0 1 EIAF O=C(CCc1ccccc1)c1nc2c(Br)cccc2[nH]1 587953748 SJTWNHUVSVMJHG-UHFFFAOYSA-N 329.197 4.141 0 1 EIAF Brc1ccnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587962040 WRDITNQPYPXNOH-RYUDHWBXSA-N 328.213 4.067 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587962358 HXXUTJUZLOQCFA-YUMQZZPRSA-N 341.636 4.137 0 1 EIAF Oc1ccc2c(c1)[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)NCC2 963342671 RMPHWMLCCVLKFH-OAHLLOKOSA-N 327.733 4.300 0 1 EIAF CCCCCc1ccc(C(=O)Nc2ccc3nc(=N)[nH]cc3c2)cc1 1857588999 UIMAICSQAVQPAS-UHFFFAOYSA-N 334.423 4.027 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cccc(O)c1)O2 1857650768 WMHHQTMUYGNAPC-KRWDZBQOSA-N 340.375 4.019 0 1 EIAF CN(C)C1=NC[C@H](Cc2ccccc2)N1CCCC1CCCCC1 36386729 IVQNHHQASOYCQD-FQEVSTJZSA-N 327.516 4.191 0 3 EIAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2ccccc2C)cs1 61908841 GCRVUTMMZUBYHL-GOSISDBHSA-N 340.423 4.483 0 3 EIAF Cc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)o1 5049265 TYPLPLUNGCDNQG-UHFFFAOYSA-N 339.416 4.447 0 1 EIAF CCN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 13741143 DSOVZCSZPXGAMI-AOMKIAJQSA-N 332.447 4.200 0 1 EIAF Cc1n[nH]c(-c2cc(Cl)ccc2O)c1-c1ccc2c(c1)OCCO2 28463805 TUBMCKVQERJCST-UHFFFAOYSA-N 342.782 4.182 0 1 EIAF CCn1c([C@@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817584 CVUQYNSEARKGIL-LLVKDONJSA-N 327.133 4.133 0 1 EIAF CC1CCN(C(=O)c2cccc(Oc3ccccc3Cl)n2)CC1 29050372 PGENXLRWXFOWCY-UHFFFAOYSA-N 330.815 4.399 0 1 EIAF CCC(F)(F)c1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 73314608 RNZIVYPVHUJBNW-UHFFFAOYSA-N 337.761 4.332 0 1 EIAF O=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1 169309140 WYPGOAOLLLOOOT-UHFFFAOYSA-N 336.338 4.496 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(C1CCCCCC1)C(=O)N2 219520668 KCFSKEILCZCKOW-HXUWFJFHSA-N 340.423 4.069 0 1 EIAF Cc1ccc(-c2cnc(C3(NCc4ccncc4)CCCC3)[nH]2)cc1 473096137 YYBRXJPSUBKFGG-UHFFFAOYSA-N 332.451 4.339 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)cc(OC)c3[nH]2)s1 587014282 KUQWNVKVETYAHY-JTQLQIEISA-N 347.440 4.110 0 1 EIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587069976 NWUONYOBFFFVNK-JTQLQIEISA-N 338.213 4.294 0 1 EIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(F)c(F)c2[nH]1 587108587 DHSGQKRNXIVFPD-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF O=C(O)c1c(-c2cc3c4c(cccc4n2)CC3)cnc2ccccc12 587212895 RYOZAUDFOUTANH-UHFFFAOYSA-N 326.355 4.247 0 1 EIAF CCCCn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587391870 UMQPXQYMMYRABB-IBGZPJMESA-N 349.434 4.434 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O 587457153 ZUBFCODFLHENPM-YSSFQJQWSA-N 328.408 4.064 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)sc1C=O)CC2=O 587470113 DJJJPNJVWPZQAT-CQSZACIVSA-N 334.368 4.064 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(F)c31)CC2=O 587472687 VBBGOYVYPJHTJB-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](CC)C(=O)OC)CC2=O 587483390 WRUHPTOQMRJBCW-FOIQADDNSA-N 348.439 4.048 0 1 EIAF O=C(O)c1cc(F)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587503088 KSBOYELTICQFOV-GOSISDBHSA-N 340.350 4.109 0 1 EIAF CCOC1=C[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587799664 BSKDKAMTUPUQQC-HWPZZCPQSA-N 340.236 4.032 0 1 EIAF Cc1ccoc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587831474 XGJLANXIRVZGFJ-QLJPJBMISA-N 338.220 4.287 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccs2)N1 587847948 NBFYHYRWGJDYFV-RFAUZJTJSA-N 340.261 4.447 0 1 EIAF COc1ccc2c(c1OC)[C@](C)(CCc1ccsc1)N(C)[C@@H](C)C2 962628416 LYGRJGZEBPLSGT-XOBRGWDASA-N 345.508 4.490 0 1 EIAF CC[C@@H]1CCCC[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962767644 PUHTXYWDKYHHBZ-UKPHBRMFSA-N 325.374 4.128 0 1 EIAF COc1ccc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c(C)c1 963096698 GDFVQLOASULBEF-HRAATJIYSA-N 325.427 4.427 0 1 EIAF CCCCC[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 1857770718 JWTCNQGCQQMNNJ-HNNXBMFYSA-N 328.243 4.053 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]21CCC(=O)O1 2356726735 UITNBJRZYAEYLY-VTNJRNCZSA-N 344.495 4.386 0 1 EIAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 2356761849 HHEHAWXWMOURQK-LLVKDONJSA-N 348.830 4.111 0 1 EIAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2ccccc2)cs1 61927879 PWYQYBDVOKYJBI-QGZVFWFLSA-N 326.396 4.175 0 3 EIAF CCOC(=O)c1cn(Cc2ccccc2)cc1-c1ccc(OC)cc1 6403787 XHYIEQLPFFXJLA-UHFFFAOYSA-N 335.403 4.389 0 1 EIAF Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 6900689 BOFAVAZLOMIJLY-KBXCAEBGSA-N 348.450 4.037 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 13443766 FMPNFDSPHNUFOS-YOASDKSVSA-N 345.527 4.419 0 1 EIAF c1ccc2c(CCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1 13581104 FJYSNFYXXFBCDC-UHFFFAOYSA-N 333.435 4.250 0 1 EIAF Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1 13673523 SVOFTAUVVZYYNS-UHFFFAOYSA-N 341.208 4.485 0 1 EIAF COc1cc(-c2nnsc2-c2ccc(F)cc2)cc(OC)c1OC 28820898 ULIJCJXRYSKXDE-UHFFFAOYSA-N 346.383 4.037 0 1 EIAF O=C(CCCCCCC(=O)c1ncco1)Nc1cc2ccccc2[nH]1 29124711 LNGNYTGQHSVFKP-UHFFFAOYSA-N 339.395 4.318 0 1 EIAF C[C@H](CO)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801379 NNSRXNWUJQJDLG-XGJIIUMCSA-N 347.543 4.094 0 1 EIAF Cc1ccc2c(c1)N(C)C1=C(C(=O)OC1)[C@]2(C)c1ccc(Cl)cc1 40402169 CHGFOCOTNHJTQG-HXUWFJFHSA-N 339.822 4.215 0 1 EIAF N=C(N)c1cc2c(OCc3nc4ccccc4s3)cccc2s1 45393111 NWOWVTPJLDDLDQ-UHFFFAOYSA-N 339.445 4.374 0 1 EIAF CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1 66073615 OIRYQIYPLLNMQN-UHFFFAOYSA-N 345.786 4.069 0 1 EIAF Cc1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 73167542 WIGOWSLYJZMLPD-KRWDZBQOSA-N 338.798 4.387 0 1 EIAF Cc1ccc(-c2cc3ccc(OC4CCN(C)CC4)cc3oc2=O)cc1 84653121 LMQXIFJJHXTYEG-UHFFFAOYSA-N 349.430 4.241 0 1 EIAF COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)cc1 96929349 BCJAIJUEAVAJFO-UHFFFAOYSA-N 339.416 4.363 0 1 EIAF CCc1cc(C2=N[C@@H](c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1 103173699 BQJWYYOVDIDGPF-LJQANCHMSA-N 347.418 4.293 0 1 EIAF CCCCN(CCCC)C(=O)/C=C/C=C/c1ccc2c(c1)OCO2 141074848 LPDKQEPRDJFFLZ-FIFLTTCUSA-N 329.440 4.414 0 1 EIAF Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144634373 NNRHKWUPNDZNRT-UHFFFAOYSA-N 342.402 4.435 0 1 EIAF Cc1cc(C)c2[nH]c(C(F)(Br)Br)nc2c1 587087849 WSQGRTFYGAAIAZ-UHFFFAOYSA-N 336.002 4.049 0 1 EIAF Oc1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587160302 AMNYLKJISFDDED-MNOVXSKESA-N 347.187 4.441 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc32)[C@@H]1c1ccc(F)cc1 587350678 HZCCWQHNACWVEJ-IFMALSPDSA-N 346.357 4.342 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCCc4ccccc41)[C@@H](C2)C3=O 587447818 VWFZOPRHJSDODP-KGVIQGDOSA-N 334.415 4.321 0 1 EIAF O=C1C[C@@H](c2cnc3ccc(F)cn23)Oc2c1ccc1c2CCCC1 587510206 VLTBLQLSTMGIGO-SFHVURJKSA-N 336.366 4.059 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587932686 YIMUTWXARCRPQM-BMLIUANNSA-N 331.778 4.204 0 1 EIAF O=C(c1cccc(-c2cccnc2)c1)c1cnc(Nc2ccccc2)[nH]1 1857575352 UDYSSZBDTCNODV-UHFFFAOYSA-N 340.386 4.446 0 1 EIAF COc1cc([C@@H]2COc3cc4occc4cc3C2=O)c(OC)cc1C 2356521543 CBBWEPMUFGEDOQ-HNNXBMFYSA-N 338.359 4.117 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1Cc1occ(C)c1[C@@H]2O 2356607910 WEHPANHORJZTCX-ZDRAVBCZSA-N 332.440 4.108 0 1 EIAF Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@@H](C)c1ccon1 12758660 QOTGWTHYHFKJJV-NSHDSACASA-N 331.803 4.484 0 3 EIAF Cc1ccn2cc(-c3ccc(OCCCN4CCCC4)cc3)nc2c1 1909632 MVBPOZZUALTPQG-UHFFFAOYSA-N 335.451 4.174 0 1 EIAF Cc1ccc(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 6044386 IYUZMNYQASZUFK-UHFFFAOYSA-N 328.843 4.365 0 1 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 13443775 FMPNFDSPHNUFOS-YOUYAXGRSA-N 345.527 4.419 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@@H]1CN1 13835175 KRFWHRJXDKUGAA-RGAKOWQFSA-N 329.528 4.288 0 1 EIAF Oc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(O)cc45)nc3)c2c1 14514702 BCHVDGBLKXHBKK-UHFFFAOYSA-N 342.358 4.184 0 1 EIAF biogenic O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@H]1CCCCN1 27524211 OAKOEIPZSOOLIY-DOMZBBRYSA-N 344.764 4.083 0 1 EIAF CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 36093178 SBVQNQUTDWXCGV-UHFFFAOYSA-N 332.385 4.199 0 1 EIAF CC(C)CN(Cc1ccc(C(F)(F)F)cc1F)C1CCNCC1 36093184 RYBKAECQSIBTTL-UHFFFAOYSA-N 332.385 4.055 0 1 EIAF CCOC(=O)c1c(C)nc(Nc2ccc(O)cc2)nc1-c1ccccc1 71295246 ZYHNLPAMWINLGV-UHFFFAOYSA-N 349.390 4.078 0 1 EIAF C[C@@H]1CN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C[C@@H](C)O1 72182586 AEKGQDSJZJJMPE-GHMZBOCLSA-N 341.238 4.258 0 1 EIAF Cc1cc(C)c2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C2=O 73390983 YLTIMTDAACDJAV-UHFFFAOYSA-N 334.202 4.340 0 1 EIAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCC3CC3)ncnc21 82181496 VKPABOKIGYMMAZ-GFCCVEGCSA-N 339.443 4.263 0 1 EIAF C[C@H]1C(=O)S[C@](C)(Cc2cccc(Oc3ccccc3)c2)C1=O 169717827 NVAFOHJQQOQWCN-BFUOFWGJSA-N 326.417 4.259 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@H]12 254076556 IURJXDRUVNGNGB-ULJRTVLZSA-N 332.484 4.101 0 1 EIAF COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Cl)c1O 587046248 NXPRXUPBQQEYKR-UHFFFAOYSA-N 331.803 4.290 0 1 EIAF Fc1c(F)c(F)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1F 587084102 GGKXKHGJYPHXNK-UHFFFAOYSA-N 341.695 4.248 0 1 EIAF Cc1cc(Cl)cc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587154946 GVJSJYMJAYPYBE-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1 587162595 XJAYYNPQKKYDHP-QWRGUYRKSA-N 332.176 4.131 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587245019 VGXYHSAUBJICHW-UHFFFAOYSA-N 333.178 4.056 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(Cl)ccc3n1)O2 587378349 BKKRXQSJDQVOAX-SFHVURJKSA-N 338.794 4.485 0 1 EIAF COc1ccc([C@@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403643 PFYGBMDTDXRDOY-ZUOKHONESA-N 325.408 4.113 0 1 EIAF C[C@@]1(c2cccc3c[nH]nc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526921 RWQDODJMJSYSIN-NRFANRHFSA-N 332.403 4.322 0 1 EIAF O=C1C[C@]2(CCC[C@@H]([C@@H]3CCOC3)C2)Oc2c1ccc1c2CCCC1 587536878 XUWFXUQGBWWGBI-DRSNIGMVSA-N 340.463 4.496 0 1 EIAF CNc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582330 ZSAMVVCPXQTTKM-RXVVDRJESA-N 347.370 4.137 0 1 EIAF COC(=O)Cc1[nH]c2cccc(F)c2c1-c1cc(F)c(F)cc1F 587634443 ZCGJXBPTJDQSIS-UHFFFAOYSA-N 337.272 4.107 0 1 EIAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)nc2c(C)cccc12 587653611 ZEPFEJOSWBAXEQ-UHFFFAOYSA-N 335.794 4.204 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4cncc(C)c4[nH]3)c2)c1 587932377 DIJOLHICJIUBFW-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF c1ccc(CCOc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)cc1 1772645182 DBBPOZXMYYWTAV-UHFFFAOYSA-N 342.402 4.155 0 1 EIAF COc1ccc(-c2n[nH]c3ncc(-c4ccc(C)cc4N)cc23)cc1 1857539177 JWWHQBLKZZUUGY-UHFFFAOYSA-N 330.391 4.191 0 1 EIAF Cc1c2c(n(C[C@H]3CC[C@H](C(=O)O)CC3)c1C)CCC(F)(F)C2 1857634728 MMCIWMBVRIYPFE-HDJSIYSDSA-N 325.399 4.120 0 1 EIAF CCCOc1cc(NC(C)=O)nc(S[C@H](C)c2ccccc2)n1 1857763963 LBBZLRSTZZXWIO-GFCCVEGCSA-N 331.441 4.077 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@@]2(C)[C@@H]1C 2356395214 NITWZXGUPPFECT-CQNRTFJUSA-N 330.424 4.257 0 1 EIAF O=c1c2ccccc2c(-c2cccnc2)nn1Cc1cccc(Cl)c1 13600556 KHCOBKHCNYPAGQ-UHFFFAOYSA-N 347.805 4.160 0 1 EIAF COc1cc2ccc1Oc1cc(ccc1O)CC[C@@H](O)CCCC2 15251164 SKQFVMGWNXOEPV-INIZCTEOSA-N 328.408 4.213 0 1 EIAF biogenic,in-vitro C[C@]12CC[C@@H]3c4ccc(OC(=N)S)cc4CC[C@H]3[C@@H]1CCC2=O 28388620 WOXNRHNLZTWCOY-JEWRLFTDSA-N 329.465 4.355 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C/Cl)[C@@H]1CC[C@@H]2O 28568286 PHKKCWVLOCDAJQ-CZMSAKIISA-N 336.903 4.404 0 1 EIAF c1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1 72181767 RCQKVWZPYJFDMK-UHFFFAOYSA-N 341.414 4.495 0 1 EIAF Fc1ccc(CSc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1 116894768 GGPFYDTZHSUFAM-UHFFFAOYSA-N 326.356 4.044 0 1 EIAF O=C1CCC[C@@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 586883396 BPYWVGBTDSILFK-OAHLLOKOSA-N 332.403 4.411 0 1 EIAF Cc1ncsc1CCc1nc2cc(Br)cc(F)c2[nH]1 587027024 MDVKGHAPMHMFNY-UHFFFAOYSA-N 340.221 4.015 0 1 EIAF COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc(Cl)c1O 587045640 ALCNUUGTDSSCHV-UHFFFAOYSA-N 328.799 4.476 0 1 EIAF Cc1ccc2c(ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c32)n1 587058686 IDMLRMWMLSUNNH-HNNXBMFYSA-N 336.826 4.315 0 1 EIAF C[C@H](c1nc2ccc(CCO)cc2[nH]1)c1ccccc1C(F)(F)F 587099079 WUTDKOFDDQNGKR-NSHDSACASA-N 334.341 4.268 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2C2CC2)[C@H]1c1ccc(F)cc1 587348727 ASJZCOUNUVUTTR-LMNJBCLMSA-N 338.378 4.449 0 1 EIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C(F)F 587382198 KBNXSYRMLYKLRG-OAHLLOKOSA-N 333.334 4.230 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(F)c2CC[C@@H]1C 587386199 IQLYHRKTVQLLDN-YUNKPMOVSA-N 325.383 4.159 0 1 EIAF CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587398342 FDEDRCJEONBLSX-LJQANCHMSA-N 341.407 4.168 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cnc1Cl)CC2=O 587463073 VUPHESSDZWBTBX-INIZCTEOSA-N 331.799 4.408 0 1 EIAF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cccc(F)c12)C(F)F 587634036 PUMLPHWJNBMHCD-UHFFFAOYSA-N 333.265 4.151 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc1O 587787246 SUEFATHUAKXQOP-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587829330 QHMFRWCDKPBBRF-PWJLMRLQSA-N 338.220 4.422 0 1 EIAF Oc1cc(C2CCCCC2)c(O)n1-c1ccnc(Br)c1 587939748 IWTHIGBSBVGNBP-UHFFFAOYSA-N 337.217 4.094 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2cncc(Br)c2[nH]1 587954795 FUAXXKAYOAQMJS-UHFFFAOYSA-N 330.229 4.355 0 1 EIAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)s1)N(C)[C@@H](C)C2 962638662 XEZSABXRPFPQIH-BTDLBPIBSA-N 337.872 4.385 0 1 EIAF Cc1nc(-c2ccn3nc(-c4ccccc4)nc3c2)nc2ccccc12 1857629266 OYNDTAHBLWNXPZ-UHFFFAOYSA-N 337.386 4.315 0 1 EIAF COc1ccc(C2=C(c3c(Cl)cccc3Cl)C(=O)OC2)cc1 1857766425 BJLGLGWHPWDLDE-UHFFFAOYSA-N 335.186 4.470 0 1 EIAF C[S@](=O)/C=C/CCNC(=S)Sc1ccc(C(C)(C)C)cc1 1857774784 MPKYLOYASHVYKG-BOQJPMNSSA-N 341.567 4.233 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccc(F)cc1 27091168 YMYUCCTXAVCSSY-UHFFFAOYSA-N 343.329 4.392 0 1 EIAF C1=C(c2cccs2)CC[C@H](CN2CCN(c3ccccn3)CC2)C1 27715399 QFAVGTOUBHVISF-QGZVFWFLSA-N 339.508 4.149 0 1 EIAF in-vivo CSc1nc2sc3ccccc3c2c(=O)n1-c1ccc(F)cc1 28949285 IGQKOXHNGCGCLB-UHFFFAOYSA-N 342.420 4.461 0 1 EIAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(C3CCCC3)cccc21 39198781 OEDDWYFPLHBBRN-FQEVSTJZSA-N 327.424 4.478 0 1 EIAF Cc1cc(C)c2c(c1)[C@](c1ccc(O)cc1)(c1ccc(F)cc1)C(=O)N2 64549155 KZGRJRVCQRTTNN-JOCHJYFZSA-N 347.389 4.435 0 1 EIAF O=C(c1ccc(F)c(O)c1)c1ccc(-c2ccc(O)c(Cl)c2)cn1 82148951 LTYHEYYAHVTUTG-UHFFFAOYSA-N 343.741 4.183 0 1 EIAF CN1C[C@H]2C[C@H]1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 100656034 WOMCGBFNBSIIEA-DZFGPLHGSA-N 349.474 4.019 0 1 EIAF C[C@@H](c1ccc(C(F)F)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146113741 CASHSHTXNDUFDN-LBPRGKRZSA-N 337.366 4.409 0 1 EIAF O=c1n(-c2ccccc2)c(O)c(-c2ccccc2)n1-c1ccccc1 169719333 DSURXSMNCHZHGS-UHFFFAOYSA-N 328.371 4.001 0 1 EIAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(=O)O)ccc12 203702194 LDMHYQSTTSDYDK-UHFFFAOYSA-N 335.190 4.398 0 1 EIAF CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@H](C(C)C)[C@H]1c1ccco1 299847942 TWQXBWZOUPOFDV-FASAQXTFSA-N 329.396 4.139 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586887888 JPVCUDJVIQHGLR-RNCFNFMXSA-N 336.222 4.410 0 1 EIAF Cc1ccc(SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1 586962903 BYQYXMUFBOMNIZ-UHFFFAOYSA-N 339.464 4.174 0 1 EIAF Fc1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005797 TUXZJFQTERUROT-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12 587061336 VOBRJXPKWOYUQZ-UHFFFAOYSA-N 349.825 4.370 0 1 EIAF N=c1[nH]ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587127941 DINIKLYPSNXQIO-UHFFFAOYSA-N 343.362 4.099 0 1 EIAF Nc1c(F)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1F 587134218 BTBHLIFQWUDNBX-UHFFFAOYSA-N 331.219 4.248 0 1 EIAF CCCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400858 SARDMTXMZQYOFT-QRWLVFNGSA-N 347.455 4.061 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(F)c(C)c4[nH]1)[C@@H](C2)C3=O 587426159 LWDACXRJNSHYBD-RNODOKPDSA-N 337.350 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccn(C(C)C)n1)CC2=O 587478926 WUXJGQXUMMHXAC-HXUWFJFHSA-N 342.439 4.089 0 1 EIAF CC1(C)C[C@@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587528952 HAOVBHKVFHKUIB-IIBYNOLFSA-N 342.435 4.180 0 1 EIAF CN(CCc1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12)N=O 587630185 HCKRLINCCMTURX-UHFFFAOYSA-N 332.766 4.178 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 587787104 URFVOJANBKYFNA-HUUCEWRRSA-N 349.434 4.199 0 1 EIAF CCS(=O)(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 587959880 BNHMWEAQHJQPSB-UHFFFAOYSA-N 334.485 4.115 0 1 EIAF Cc1c(O)ccc2c1[C@]1(CCCC3(CCCCC3)C1)N[C@H](C(=O)O)C2 963510886 QVNKPNOZQGUCGA-HRAATJIYSA-N 343.467 4.019 0 1 EIAF CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1C(=O)c1ccccc1 2489087 SNUKPQRBGDRTLQ-UHFFFAOYSA-N 334.371 4.234 0 1 EIAF CCc1ccc(-n2c(N3CCC(C)CC3)nc3ccccc3c2=O)cc1 5026045 NXZVCWVOEVIGOK-UHFFFAOYSA-N 347.462 4.184 0 1 EIAF Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 6900694 BOFAVAZLOMIJLY-RDTXWAMCSA-N 348.450 4.037 0 1 EIAF O[C@@H](CN[C@@H]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 13488796 QLNZKSYBCDXUSK-QRWLVFNGSA-N 340.854 4.002 0 1 EIAF Cc1c(-c2ccccc2)c(=O)n(C)c2nc(Nc3ccccc3)ncc12 28129535 ZDUNXFKLGLPTSZ-UHFFFAOYSA-N 342.402 4.048 0 1 EIAF O=C(Nc1ccc2c(c1)OCCCO2)Nc1ccnc2ccccc12 29553834 YNQOYUHIUVAICE-UHFFFAOYSA-N 335.363 4.040 0 1 EIAF NC(=O)n1ccc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1 34032957 ITAWDKBZOLCQET-UHFFFAOYSA-N 331.734 4.062 0 1 EIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1ccc(C2CCCC2)cc1 72170290 AONWVFVOUGKEOC-SFTDATJTSA-N 340.511 4.350 0 1 EIAF CSc1ccc([C@H](O)c2nnc(Nc3ccccc3C)s2)cc1 82078307 VIJAVAPSQJMFFI-HNNXBMFYSA-N 343.477 4.394 0 1 EIAF O=c1cc(-c2ccc(Cc3ccc(CO)cc3)cc2)[nH]c2ccccc12 84669169 PCWLWJRFEDXAOY-UHFFFAOYSA-N 341.410 4.278 0 1 EIAF Cc1cc(Oc2nccc3n[nH]cc23)c(F)cc1-c1c(C)ncnc1C 169705980 QHRCQFPLQLUIEV-UHFFFAOYSA-N 349.369 4.272 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccncc1C3 586987446 BBNYECOTHWILKN-UHFFFAOYSA-N 336.350 4.118 0 1 EIAF O=C1c2ccccc2-c2c([C@@H]3CCCOC3)cnc3ccc(O)c1c23 586991357 NELNKLPFIAIHMM-GFCCVEGCSA-N 331.371 4.046 0 1 EIAF N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl 587058474 WFOAQEBXAKBYQR-JTQLQIEISA-N 342.176 4.390 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 587080561 QLEREUUDMQKCSG-ZETCQYMHSA-N 343.740 4.465 0 1 EIAF CCCc1nc(-c2nc3c(F)cccc3[nH]2)nn1-c1ccccc1F 587156883 VIKJSYVSCHKULG-UHFFFAOYSA-N 339.349 4.041 0 1 EIAF COc1nccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 587166366 RETKRLKEJMDRRF-UHFFFAOYSA-N 336.370 4.087 0 1 EIAF CCOc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1 587214521 ROXGFFCWLQEOMU-UHFFFAOYSA-N 347.414 4.416 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(C(F)(F)F)ccc31)O2 587381836 ICTWIZQZDFELIS-SFHVURJKSA-N 347.336 4.403 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc3cccnc13)CC2=O 587492069 WLVIEMHCMUMEOC-GOSISDBHSA-N 349.386 4.305 0 1 EIAF O=C1C[C@@H](c2cc(F)cc(F)c2O)Oc2c1ccc1c2CCCC1 587510066 YHYZEANKBBLZME-KRWDZBQOSA-N 330.330 4.256 0 1 EIAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587527934 ZRRINBLUGRUBPL-LJQANCHMSA-N 338.403 4.376 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)on3)c(C(=O)C(=O)OC)c2c1 587644235 RAXPVNSVAPCHAS-JTQLQIEISA-N 340.379 4.001 0 1 EIAF Cc1cnccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772659 FOQSEIHQIXLEMM-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccncc2)N1 587775987 AUACQPWVUUPSSC-NHYWBVRUSA-N 349.247 4.191 0 1 EIAF COc1ccc(C=O)c(-c2nc3c(C)c(Cl)ccc3[nH]2)c1OC 587786686 OQPZUAOAKDIPAZ-UHFFFAOYSA-N 330.771 4.021 0 1 EIAF COc1cc(F)cc(OC)c1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963114496 VLFIPQCUDXOFDA-MGPUTAFESA-N 345.389 4.092 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@H]2CCOCc1ccccc1 963269876 LSUPTRYJTJBSGJ-KRWDZBQOSA-N 331.843 4.142 0 1 EIAF Cc1ccc(-n2n[n+](Cc3ccccc3)cc2-c2ccccc2)cc1 1857536467 GDAZZEGIYCMAND-UHFFFAOYSA-N 326.423 4.184 0 1 EIAF CC(=O)c1c(O)c2cc(Cl)cc(C(F)(F)F)c2[nH]c1=NC(C)C 1857570296 KKEBLCSDWFFQMT-UHFFFAOYSA-N 346.736 4.057 0 1 EIAF CCc1cnc2c(O)c(Br)cc(Br)c2c1 1857653648 AQAPQERCBMIVRI-UHFFFAOYSA-N 331.007 4.028 0 1 EIAF O[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCc2ccccc21 1857754929 GDVAWZMOQDMCNI-QHCPKHFHSA-N 329.443 4.445 0 1 EIAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CO)CCC[C@]21C 2356503774 SKZKDRKVEQOQIT-CEMLEFRQSA-N 344.495 4.487 0 1 EIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC(C)C)cc1 775959 RRWUVXYAYLZGSC-UHFFFAOYSA-N 330.428 4.176 0 1 EIAF S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1369656 PYRRMLCJNCDCHF-IAGOWNOFSA-N 349.931 4.174 0 1 EIAF COC[C@H](C/C=C/c1ccc(O)cc1)[C@H](OC)c1ccc(O)cc1 14761342 PYPQUQKGAGXEHZ-BPNLWIQDSA-N 328.408 4.151 0 1 EIAF COc1cccc(CNc2c3c(nc4ccccc24)CCC[C@@H]3O)c1 14946501 DKUJACOBAKIJQF-IBGZPJMESA-N 334.419 4.225 0 1 EIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 38541914 HPSZQGQRLMRJLO-QKSWPAOXSA-N 334.500 4.322 0 1 EIAF biogenic C[C@@H]1CCC[C@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 40379508 KMPYMLCZTFQZON-QLJPJBMISA-N 341.238 4.276 0 1 EIAF C[C@H]1c2[nH]c3c(ccc4ccccc43)c2Cc2c(O)n(C)c(=S)n21 169729599 MOGGMZHPUZWAAU-JTQLQIEISA-N 335.432 4.410 0 1 EIAF Cc1c(-c2nc3cc(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905635 XEPUDMJMWBPMNB-LBPRGKRZSA-N 347.212 4.264 0 1 EIAF CC(C)[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C 587198991 UOJJVZABWGTNRY-LBPRGKRZSA-N 335.757 4.374 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4sccc4s1)[C@@H](C2)C3=O 587451120 IDOFYPPXRKKYQX-BTDLBPIBSA-N 328.414 4.460 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nn(CC)cc1Cl)CC2=O 587459516 DXAPRCAXUABUJS-GOSISDBHSA-N 348.830 4.095 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC(C)C)CN(C)C)CC2=O 587468241 IZAUTONAYTVDCE-QVKFZJNVSA-N 347.499 4.293 0 1 EIAF O=C1C[C@H](c2nccc(C(F)(F)F)n2)Oc2c1ccc1c2CCCC1 587506580 KJAFQZOAMHVSRC-CQSZACIVSA-N 348.324 4.081 0 1 EIAF O=C1C[C@H](c2ccnc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 587512316 CHSIPKGBXSKBER-HXUWFJFHSA-N 348.446 4.267 0 1 EIAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529237 LYIKOBVJOHFEHZ-YVUMSICPSA-N 340.463 4.086 0 1 EIAF CCOC(=O)Cc1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 587632325 JKYNRSXINVKCAU-UHFFFAOYSA-N 332.762 4.128 0 1 EIAF CCc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1 653764974 FQXHDOWTAIGNMD-UHFFFAOYSA-N 326.425 4.459 0 1 EIAF Cc1cccc(-n2cc([C@@]3(C)NCCc4cccc(Cl)c43)cn2)c1 963391459 UGEMAKMSMYHFEF-HXUWFJFHSA-N 337.854 4.243 0 1 EIAF CCOC(=O)c1c(-c2ccccc2)oc2ncc(N3CCCC3)cc12 1857562534 IIZZYVGDTZTDQD-UHFFFAOYSA-N 336.391 4.272 0 1 EIAF CC1=C[C]2N(C=C1)C=C(C)N2CC(=O)c1ccc(Br)cc1 2356819425 CRQVECPQYQVJQK-UHFFFAOYSA-N 344.232 4.074 0 1 EIAF Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)ON3C 199739895 AZTAKBPCZAKCSG-KKPKCPPISA-N 348.490 4.215 0 3 EIAF CCC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 24266 TXEUAFAZJLMKDQ-UHFFFAOYSA-N 332.359 4.196 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1O2 13609159 JZMKNXICJRCGJX-MJGOQNOKSA-N 325.364 4.002 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801376 NNSRXNWUJQJDLG-UAWQGFCASA-N 347.543 4.094 0 1 EIAF CC1=NN(C(=S)SCc2ccccc2)[C@@](O)(c2ccccc2)C1 49053477 OHOVDUNYWWMFIK-SFHVURJKSA-N 342.489 4.132 0 1 EIAF Cc1ccc(S(=O)(=O)N2CC[C@H]3C[C@@H]2c2cc(Cl)ccc23)cc1 61943021 TXCOOSKZAPCSMJ-SCLBCKFNSA-N 347.867 4.271 0 1 EIAF Fc1ccccc1-c1nc2ccn(CCOc3ccccc3)cc-2n1 100068523 YLBLCJOGGVPEFI-UHFFFAOYSA-N 333.366 4.268 0 1 EIAF Cn1c(-c2ccccc2)cs/c1=N/C(=O)c1ccc(Cl)cc1 103083069 PHLUOFZBPMCIRS-HTXNQAPBSA-N 328.824 4.148 0 1 EIAF O=NC=C1C=CN(C/C=C/C[n+]2ccc(Cc3ccccc3)cc2)C=C1 138312247 AHHKJCKCPZKZEJ-SNAWJCMRSA-N 344.438 4.114 0 1 EIAF Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(CC(C)C)s3)[nH]c12 147955934 INTWXTIESVGLCK-UHFFFAOYSA-N 337.448 4.435 0 1 EIAF Clc1ccc(Br)nc1-c1nc2ccnc(Cl)c2[nH]1 587005495 XNBDXCOFXPDINI-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF COc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Cl 587036833 NWEVORFMOZOVLQ-CQSZACIVSA-N 334.828 4.143 0 1 EIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587068612 ABUGEDOJKRPPLY-SNVBAGLBSA-N 338.213 4.294 0 1 EIAF Cc1ccc(C)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc12 587112901 IESRFXIBJMRIEQ-AWEZNQCLSA-N 333.357 4.441 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O)c(Cl)c1)O2 587374126 GTKFIHASQIXJPI-CQSZACIVSA-N 338.190 4.296 0 1 EIAF COc1cc(Cl)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587376454 CZSGWFIFHRQWLM-SFHVURJKSA-N 331.799 4.120 0 1 EIAF CCCCn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587391879 UMQPXQYMMYRABB-LJQANCHMSA-N 349.434 4.434 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1c(C)cccc1C)CC2=O 587479222 CFGUNLKRSKUPHT-GOSISDBHSA-N 338.403 4.178 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(C)=O)CC2=O 587491285 VTNZMBMRHSAXJL-NRFANRHFSA-N 338.403 4.428 0 1 EIAF CCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576311 ILVVXJAYKMEDTL-WIYYLYMNSA-N 349.386 4.307 0 1 EIAF C[C@]1([C@@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600674 BRSWVCSJJUYLIX-MRPQBQSLSA-N 348.398 4.325 0 1 EIAF Cc1cc(Cl)cc2c(S(C)(=O)=O)c(-c3ccccc3F)[nH]c12 587624650 OMYKWNCNNQDOGH-UHFFFAOYSA-N 337.803 4.339 0 1 EIAF CCOc1ccccc1-c1cccc(-c2nc3c(N)ccnc3[nH]2)c1 587780372 QZAVISMODLHRKX-UHFFFAOYSA-N 330.391 4.273 0 1 EIAF COC(=O)c1cc2[nH]c([C@@H]3CC[C@@H](C(C)(C)C)C3)nc2cc1OC 587969990 WSINHIVPOTUXJF-VXGBXAGGSA-N 330.428 4.288 0 1 EIAF COc1ccc(-c2ccccc2)cc1[C@@H](CC(=O)O)c1nccs1 1772592752 XCVOODISXBRLGP-MRXNPFEDSA-N 339.416 4.425 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CC=CCCCC(=O)O 2356455670 CTHZICXYLKQMKI-SQNIBIBYSA-N 336.472 4.280 0 1 EIAF CCCC(=O)c1c(O)ccc2c1Oc1cccc(O)c1[C@H]2C[C@H](C)O 2356834825 KEYSMLGWCOGLMJ-AAEUAGOBSA-N 342.391 4.089 0 1 EIAF C[C@@]1(c2nnc(-c3ccccc3)o2)CC(c2cccc(Cl)c2)=NO1 13478330 WQRNFMUEFPOIKI-SFHVURJKSA-N 339.782 4.430 0 3 EIAF COc1ccc(-c2c[nH]c([C@@H](O)c3ccc(C(C)(C)C)cc3)n2)cc1 61897950 HBKCEEYSXJRYOC-IBGZPJMESA-N 336.435 4.465 0 3 EIAF CCc1c(-c2ccccc2OC)ncn1CCc1ccccc1OC 198626953 VPQKWAYMIMWUBW-UHFFFAOYSA-N 336.435 4.372 0 3 EIAF COc1cccc2c1ncc1c(CCO)cn(-c3ccccc3C)c12 26716771 GHGCFVXINPPCEO-UHFFFAOYSA-N 332.403 4.031 0 1 EIAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)cc3)on2)ccc1O 28331922 ICMLZWZWNLNDON-QVUAPDQZSA-N 335.359 4.435 0 1 EIAF Cn1c2ccccc2c2cc([C@H]3CC(c4ccccn4)=NN3)ccc21 84687377 NDZXNAWXLSIFOR-GOSISDBHSA-N 326.403 4.165 0 1 EIAF CCCCCN1C(=O)[C@@]2(COc3cc(F)c(F)cc32)c2ccccc21 103190997 JJFQLYUVJGTGIW-FQEVSTJZSA-N 343.373 4.180 0 1 EIAF Cc1cc(-c2ccco2)cc(C)c1/C=C\c1cncc(-c2nn[nH]n2)c1 169305490 XFBUODNVNPFENG-WAYWQWQTSA-N 343.390 4.309 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@@H](c2ccccc2F)C1 169704929 MNXPYZUSFURMKS-CHWSQXEVSA-N 338.386 4.160 0 1 EIAF Cc1cc(C)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587008507 XIHOJUMKPHFZNP-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF Cc1cccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587013929 GJGSWVBWASXVQO-UHFFFAOYSA-N 344.440 4.020 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085263 PDQGSZPRMUFGEW-MRXNPFEDSA-N 337.770 4.155 0 1 EIAF O=C1c2ccccc2-c2c(CCCC3OCCO3)cnc3cccc1c23 587209608 QRFUBVKAEDGAME-UHFFFAOYSA-N 345.398 4.142 0 1 EIAF COc1nc(N2CCCC2)ccc1-c1cc2c3c(cccc3n1)CC2 587211235 BQAXICYVQCVEIB-UHFFFAOYSA-N 331.419 4.004 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(CC(C)C)c1C)[C@@H](C2)C3=O 587430528 ILGRHVAMKHOWCI-UWJYYQICSA-N 339.435 4.258 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)c(C)c1)CC2=O 587462476 QMJYTFYHLXFJIO-INIZCTEOSA-N 331.799 4.408 0 1 EIAF CCCCn1nc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C 587475032 KGGZLGZQEZPYEJ-IBGZPJMESA-N 342.439 4.356 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C(C)C)c1C)CC2=O 587475739 OKWBOTISAXPCJH-SFHVURJKSA-N 342.439 4.445 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ncccc13)CC2=O 587480688 GAOSZCPCTPJXBS-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCNc3ccccc31)CC2=O 587483869 MQEWGZBAIONOEC-OAQYLSRUSA-N 337.419 4.411 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C(=O)O)c1)CC2=O 587491918 XJNPPSBVWGEKRS-SFHVURJKSA-N 340.375 4.058 0 1 EIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N 587508943 GWAMJBDRFJAPHE-NRFANRHFSA-N 337.419 4.037 0 1 EIAF Cc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587591450 VQPKTZMHLJXEJX-OXQOHEQNSA-N 335.359 4.040 0 1 EIAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)o1 587638746 OZCBPGKPYWUHGV-UHFFFAOYSA-N 337.253 4.017 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)Cl)N1 587706643 RKKPMQUUMBSCOL-KBUNVGBDSA-N 342.586 4.169 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587830058 SGUUEXXWDHFCKU-ABKXIKBNSA-N 338.220 4.367 0 1 EIAF COc1ccc(F)cc1[C@H]1C[C@H]1CNCc1ccccc1OCCF 1772590688 RWVUVCPDTBPDCJ-RDJZCZTQSA-N 347.405 4.076 0 1 EIAF O=C(Nc1ccc(Cl)c(Cl)c1)c1coc2ccccc2c1=O 1857580454 DXZKCEGPAHXAPL-UHFFFAOYSA-N 334.158 4.352 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CN(C)C[C@@H]2CC[C@H]34)C1 2356449176 DIIHAKZLRXAZIT-OCHXAIKFSA-N 342.571 4.469 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@H]2[C@]1(C)C=Cc1ccoc1 2356486066 CZISMHZGGMHTGB-WEMZCMMSSA-N 330.424 4.127 0 1 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@H](C)N3C)[C@@H]12 2356546246 FMPNFDSPHNUFOS-YVFDZHEOSA-N 345.527 4.419 0 1 EIAF Cc1noc(C)c1-c1ccc(C(=O)NCc2ccco2)c2occc12 61929746 DIIIZTHLMSXWDD-UHFFFAOYSA-N 336.347 4.228 0 3 EIAF O=c1[nH]cc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12 1655069 HWPGSZCQPDZPOZ-UHFFFAOYSA-N 326.359 4.067 0 1 EIAF CC[C@@]1(C)CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1C 3814388 JZZWLDBKEAHJDU-KRWDZBQOSA-N 338.373 4.108 0 1 EIAF C[C@]12CC=C(C[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 13408542 ZINUHMYIMBDCGQ-TUIIKVOISA-N 331.456 4.411 0 1 EIAF biogenic CC(C)c1nnc2ccc(-c3[nH]cnc3-c3cc(F)ccc3F)cn12 14961365 UIQOOHLUHZGTBA-UHFFFAOYSA-N 339.349 4.188 0 1 EIAF Cn1c(C(=O)N2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1 28135283 CYUYYNRZPYLZJQ-UHFFFAOYSA-N 345.446 4.380 0 1 EIAF C(=C\n1ncc2c(NCCc3ccccc3)ncnc21)\c1ccccc1 28570663 PJKOGVIETUPXRU-OWBHPGMISA-N 341.418 4.109 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1cccs1 29399901 NGDYJXMFCWASPD-VHKYSDTDSA-N 327.493 4.221 0 1 EIAF COc1ccc([C@@H]2O[C@H](C)[C@@H](c3ccc(OC)cc3)O[C@H]2C)cc1 34467810 TWEGIGPRPZZEHS-GOFCXKROSA-N 328.408 4.310 0 1 EIAF endogenous,in-man CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82164845 IRJIRPPAOSQVCH-NSHDSACASA-N 326.375 4.457 0 1 EIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3cc(C)cs3)oc2c1 169159062 XBOVDQOTNPNLDE-LLVKDONJSA-N 339.420 4.115 0 1 EIAF C/C=C(/C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C\C(=O)O 238787744 KNDPLJZJPQWOMQ-QLXIQYSJSA-N 330.468 4.365 0 1 EIAF CCO[C@@H](CC(=O)O)c1ccc(Oc2noc3c(C)cccc23)cc1 473109223 RDRIKQXPYNRWJO-INIZCTEOSA-N 341.363 4.481 0 1 EIAF Cc1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 587022385 YLVSPZRBNQTWAV-UHFFFAOYSA-N 328.622 4.411 0 1 EIAF Cc1cc(Cl)cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587163975 WOTPKTVNUYVUJA-UHFFFAOYSA-N 331.778 4.235 0 1 EIAF Cc1c2c(nc3ccc(Br)cc13)-c1c(N)cccc1C2 587207241 DZXXFLBTVWSWEV-UHFFFAOYSA-N 325.209 4.459 0 1 EIAF CCOc1nc2ccccc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587395074 ODARNGKJXKSPDF-IBGZPJMESA-N 348.402 4.231 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccncc3)c1)O2 587395640 SVJBJLRSHQCPEB-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 587402635 FQOOFIUGSGOQRQ-FQEVSTJZSA-N 333.387 4.446 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C)c1Cl)[C@@H](C2)C3=O 587421989 BKMBQMPVUYSBRM-KPZWWZAWSA-N 332.758 4.285 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)cc1Cl)[C@@H](C2)C3=O 587424783 UWDQUFQYTJPRBG-BTDLBPIBSA-N 336.721 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccnc1Cl)CC2=O 587461866 NRLFBGOFIQIKLP-OAHLLOKOSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(F)c1F)CC2=O 587465317 HGHAPMQQBDSNQX-MRXNPFEDSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1cccn1)CC2=O 587474235 DBLCWVUGPKGCEM-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF O=C1C[C@H](c2cn3c(F)cccc3n2)Oc2c1ccc1c2CCCC1 587504131 FXAVHZJYSWIGGQ-QGZVFWFLSA-N 336.366 4.059 0 1 EIAF Cc1cc(CN2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F 653775563 VTGKGYFBEZNAEB-RBUKOAKNSA-N 331.406 4.280 0 1 EIAF CCOC(=O)C[C@H]1CCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963126243 VTFJDZBAYXPQOK-DIFFPNOSSA-N 342.266 4.088 0 1 EIAF Cc1cccc(CNc2ccc(Cc3nc4nc(C)ccc4o3)cc2)n1 1772637661 SSGADAVZXREMHH-UHFFFAOYSA-N 344.418 4.438 0 1 EIAF Cc1nc(-c2ccc3c(c2)OCO3)c(C(=O)c2ccccc2Cl)o1 1857773475 JLNNYVKFONYBEM-UHFFFAOYSA-N 341.750 4.263 0 1 EIAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@H]21 2356570009 VEZLMIBNVADFRK-UWVAXJGDSA-N 332.440 4.263 0 1 EIAF CC(C)(C)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 6811169 RONMIYBRZWBWOC-UHFFFAOYSA-N 341.455 4.444 0 1 EIAF CCOC(=O)CCCNc1nc(-c2ccccc2)nc2ccccc12 13743191 SGHLOCCJNIPVCW-UHFFFAOYSA-N 335.407 4.052 0 1 EIAF Cc1coc2c1C[C@]1(C)[C@H](CC[C@H](OC(=O)CC(C)C)[C@H]1C)C2=O 14452945 QSECTAGZNRNMBK-NEVJAFOQSA-N 332.440 4.337 0 1 EIAF biogenic CC(=O)N1N=C(c2ccccc2C(F)(F)F)C[C@H]1c1ccccc1 28525079 XIBPJUDCIWKEBQ-KRWDZBQOSA-N 332.325 4.403 0 1 EIAF COc1ccc([C@@](O)(c2cncnc2)C2CCCCCCC2)cc1 28768807 AZPIATYDRIHDBW-HXUWFJFHSA-N 326.440 4.082 0 1 EIAF Cc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc1 73157633 FWPKNIQDHIOSCZ-INIZCTEOSA-N 348.427 4.281 0 1 EIAF COc1cc(C[C@H]2CC(c3cccc4ccccc34)=NO2)ccc1O 103212096 GWLFPZFNEWEMHL-INIZCTEOSA-N 333.387 4.290 0 1 EIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@]13C=C(C)[C@H](CC[C@H]12)C3 238781020 FWTWPPUZNKBZJN-CSGHFTSRSA-N 346.511 4.489 0 1 EIAF CCOC(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586887475 IPZAOQMUZATTBO-IERDGZPVSA-N 332.403 4.111 0 1 EIAF CC1(C)COc2c(-c3nc4cc(Br)cnc4[nH]3)cccc21 586911344 HIAVJDVXFAUWDV-UHFFFAOYSA-N 344.212 4.057 0 1 EIAF O=Cc1cc(Br)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1 586982317 JZHNHJWSSFFFDU-UHFFFAOYSA-N 337.123 4.083 0 1 EIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncncc4[nH]3)c21 587031075 OCWJCNKPSZCANG-LLVKDONJSA-N 335.436 4.312 0 1 EIAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n(C)n1 587105000 KVIUGNNJIJSOOC-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F 587149713 AEJOBFZLJYXSOO-VXGBXAGGSA-N 342.345 4.274 0 1 EIAF Cc1cc(Cl)cc2nc(-c3cc(Br)cnc3F)[nH]c12 587178094 PQPJTWPALQRWTO-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cn1 587244364 DEINIWKKFCFBDL-UHFFFAOYSA-N 348.450 4.488 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Cl)cnc3o1)O2 587380164 QBGNXBIXAZRFQN-OAHLLOKOSA-N 328.755 4.078 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC3CC3)c(C)c1)O2 587399954 OADNUUCDBCFMEV-HXUWFJFHSA-N 337.419 4.381 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1)[C@@H](C2)C3=O 587418474 BJPJHDZDDYEQKC-HNAYVOBHSA-N 328.795 4.097 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)c(C)c1)CC2=O 587470949 XDWROBOWVHQYKR-HXUWFJFHSA-N 339.435 4.426 0 1 EIAF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515071 JAWIXAPXHGXFIO-IBGZPJMESA-N 332.403 4.159 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C(=O)OC)c2c1 587640607 BMUISSWSXHQAAW-NSHDSACASA-N 339.439 4.485 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3N)c([C@@H](N)C(=O)O)c2c1 587642087 JFCNFXVCZAMSFY-BBATYDOGSA-N 337.423 4.015 0 1 EIAF CCn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587759237 ZSHWYDFRKUZVBS-MGPLVRAMSA-N 337.236 4.033 0 1 EIAF Oc1ncnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587950550 RUPRLRXAPGAVNQ-KHPPLWFESA-N 330.347 4.021 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@]12CC(C)(C)OC2(C)C 962396411 GURZEMFZAJXXPR-FQEVSTJZSA-N 344.524 4.318 0 1 EIAF COc1ccccc1CN(C)C[C@@H]1C[C@@H]1c1cc(F)ccc1OC 1772574081 AZQNQKWCVSCOCW-RDJZCZTQSA-N 329.415 4.078 0 1 EIAF CC(C)C(=O)c1c(O)cc(O)cc1OCc1c(F)cccc1Cl 1772575976 GLSLIFOVGYFUBR-UHFFFAOYSA-N 338.762 4.308 0 1 EIAF CCCNC(=O)[C@]1(C)CCCN(Cc2csc3ccccc23)C1 61905268 AVLKVNYARIJXPX-LJQANCHMSA-N 330.497 4.030 0 3 EIAF Cc1cc(O)c(C=O)c(C)c1CC[C@]1(C)C=Cc2cc(O)ccc2O1 5842270 HXHCCUWOGMBIRD-NRFANRHFSA-N 338.403 4.324 0 1 EIAF biogenic O=C(c1ccc(Br)cc1)N1CCCC(c2ccccc2)=N1 13744702 QLIJOARBFPIACM-UHFFFAOYSA-N 343.224 4.089 0 1 EIAF CC1(C)C=C(c2ccccn2)c2cc(Br)ccc2C1=O 29486068 YBQAGTHQTMTXGF-UHFFFAOYSA-N 328.209 4.498 0 1 EIAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C 66252651 GSORWXVWMXUESR-UHFFFAOYSA-N 346.515 4.399 0 1 EIAF CCCC[C@H](CC)CNc1nc(NC)c2cc(OC)c(OC)cc2n1 82131742 YKAILIHOAWFWCT-ZDUSSCGKSA-N 346.475 4.317 0 1 EIAF CN1CCC(n2nc(-c3ccccc3)c(Cc3ccccc3)c2O)CC1 103939001 VLAPQJBAECXKRC-UHFFFAOYSA-N 347.462 4.113 0 1 EIAF Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144258454 UCEPCDMRMVOTNS-ZBFHGGJFSA-N 339.345 4.041 0 1 EIAF CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144812638 RUTZVOQVFGSKEP-SFHVURJKSA-N 344.336 4.349 0 1 EIAF Cc1c(-c2nc3c(Br)cccc3[nH]2)oc2c1[C@@H](O)CCC2 586904955 DRMAGVFPHAQHQD-NSHDSACASA-N 347.212 4.264 0 1 EIAF Sc1nnc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)s1 587025531 NVQJGWRVKWLCCX-UHFFFAOYSA-N 349.293 4.302 0 1 EIAF c1ccc(C2SCCS2)c(OCc2nc3cnccc3[nH]2)c1 587042671 VREUCZCEPBWGBO-UHFFFAOYSA-N 329.450 4.016 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(O)c2[nH]1 587044985 YTCHFCIDINLCSU-UHFFFAOYSA-N 339.178 4.260 0 1 EIAF Cc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1C 587111081 ILVALYHVGZURQF-UHFFFAOYSA-N 347.340 4.129 0 1 EIAF OC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCC(C(F)(F)F)CC1 587127113 RRESWUXZHIGQBB-UHFFFAOYSA-N 338.373 4.382 0 1 EIAF Clc1ncc2nc(CN(Cc3ccccc3)c3ccccc3)nc-2[nH]1 587193299 XSHSMRBJQCHYAN-UHFFFAOYSA-N 349.825 4.165 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(CCCO1)C3 587208924 GEIXJOCRILXXDK-QHCPKHFHSA-N 341.410 4.484 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(C3CC3)nc1C)O2 587414764 VTZAFFWBTVOHFN-SFHVURJKSA-N 328.437 4.100 0 1 EIAF CC[C@@H]1S[C@H](C)C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1C 587453073 PALRTWIOJPUGTJ-XHKYUUOZSA-N 332.465 4.122 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccco4)cc1)[C@@H](C2)C3=O 587455735 PYKRAPZELBWCBG-HRAATJIYSA-N 332.355 4.444 0 1 EIAF CCCC[C@]1(C(C)=O)c2ccsc2CCN1Cc1cccnc1 963013396 QYTZTGKZAZRFQB-IBGZPJMESA-N 328.481 4.176 0 1 EIAF CC1(N)CCN(c2nc(-c3ccc4cc(F)ccc4c3)cs2)CC1 1772587790 WYFYOIWLAMMJMI-UHFFFAOYSA-N 341.455 4.420 0 1 EIAF COc1cccc(C(=O)N(C)c2cccc(Oc3ccc(O)cc3)c2)c1 1857644996 QVCDUYLTTDFFQS-UHFFFAOYSA-N 349.386 4.470 0 1 EIAF COc1cc2c(cc1C(C)C)C(=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C 2356339924 BTFARGIVARHEON-QKNQBKEWSA-N 330.468 4.460 0 1 EIAF N[P@](=O)(OCCCc1ccccc1)Oc1ccccc1Cl 12466327 SKIJUUGTKPWOQX-NRFANRHFSA-N 325.732 4.435 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OCCCO)CC[C@@]43C)[C@@H]1CCC2=O 13671470 JCTUZDRNOMUUPE-VQZJJIPLSA-N 348.527 4.366 0 1 EIAF O=C(O)[C@@H]1CCCN(CCC=C(c2cccs2)c2cccs2)C1 13827950 ZSWAUBWMXIBOEX-CQSZACIVSA-N 347.505 4.428 0 1 EIAF CC(C)Cn1c(COc2ccccc2)nc2c(N)nc3ccccc3c21 28477555 UCMWKVYKLOBVOH-UHFFFAOYSA-N 346.434 4.402 0 1 EIAF CCCNCCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C 28771986 XFDYCBQRAWWJEL-INIZCTEOSA-N 349.478 4.178 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@H]2CC[C@H](C)[C@@]13C 28973298 BAHLYRYDRNWKKI-GDIVAPDVSA-N 330.424 4.268 0 1 EIAF Cc1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1 96175636 PRJQXSOQQOQPMA-UHFFFAOYSA-N 339.782 4.483 0 1 EIAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccccc1)[C@H]2c1ccccc1 118762483 UUVSFNPIVJBHLF-UYAOXDASSA-N 339.398 4.222 0 1 EIAF c1cc2c(OCC3CCN(CC4CC4)CC3)nc3ccsc3n2c1 169329295 UZJUKHLXNGXEHK-UHFFFAOYSA-N 341.480 4.050 0 1 EIAF Cc1cc(N)nc(-c2ccc(CNCCc3cccc(F)c3)cc2)c1 263621277 YIRCIVHQWVHKOD-UHFFFAOYSA-N 335.426 4.111 0 1 EIAF in-vitro CC(=O)[C@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995412 GVFOUQIGMOQEFS-IBGZPJMESA-N 330.343 4.151 0 1 EIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cccc(Cl)c3[nH]2)n1 587119266 RYBREZOSFQNHJZ-UHFFFAOYSA-N 340.736 4.357 0 1 EIAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(Cl)nc3[nH]2)c(F)c1F 587133955 GCDBSYDXWXAOEO-DAFODLJHSA-N 345.658 4.477 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587164579 WYCVCFOTQOCMCE-LBPRGKRZSA-N 339.201 4.055 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)nc1Cl)O2 587380973 ZCEFNLCETKJHIW-MRXNPFEDSA-N 337.206 4.160 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O 587435651 HYOZKTNUPFWSDX-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O 587447390 RFVPDDVOVOCSNQ-PNLZDCPESA-N 334.415 4.395 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(C)cc31)CC2=O 587480728 GFYFMIBOPWAYRJ-HXUWFJFHSA-N 325.408 4.178 0 1 EIAF CCCc1c(O)ccc2c1OC(c1ccco1)(c1ccco1)CC2=O 587484196 SBBWNDVOIRCNBZ-UHFFFAOYSA-N 338.359 4.440 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)cc(F)c2[nH]1 587788197 ZJUPPSAWEBUXJU-UHFFFAOYSA-N 346.789 4.488 0 1 EIAF CCCC[C@@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815130 YRAFGOCTSLQKKB-QFYYESIMSA-N 342.252 4.097 0 1 EIAF C/C=C1/NNC(=O)C(c2nc(-c3ccc(C)c(C)c3)cs2)=C1CC 587920750 NXVCDEUTTFCXME-GIDUJCDVSA-N 339.464 4.129 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(Cl)c4[nH]1)(C3)C2 587949181 AADZPNJUWDSZIQ-NFAYLAGKSA-N 344.842 4.370 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc2cccc(C)c2[nH]1 963635368 LZPAXSAABUWVEO-YEJXKQKISA-N 336.435 4.117 0 1 EIAF CC(C)[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=S 1857758443 VWXHIHBUVQKQAV-HNNXBMFYSA-N 329.856 4.350 0 1 EIAF O=C1Cc2cc(-c3c(Cl)cccc3OC(F)(F)F)ccc2N1 1857763792 KDQVOHZGLRUPLF-UHFFFAOYSA-N 327.689 4.400 0 1 EIAF Fc1ccccc1CNc1nc(NCC2CC2)nc2ccsc12 61903977 JULCTTJVHNOKSW-UHFFFAOYSA-N 328.416 4.264 0 3 EIAF Cc1cc(Cl)ccc1-c1nc(NCCN(C)C)nc2ccsc12 61925780 WIANRXCYQFZNTG-UHFFFAOYSA-N 346.887 4.294 0 3 EIAF CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 8980 ZJPKMWZNBQJVDC-UHFFFAOYSA-N 329.469 4.050 0 1 EIAF COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 1618991 NDPRJGKBCKBXNH-UHFFFAOYSA-N 333.174 4.390 0 1 EIAF Clc1nc(-c2cccs2)nc2c1ncn2Cc1ccccc1 6581096 TZSUGHAHBIZLGC-UHFFFAOYSA-N 326.812 4.257 0 1 EIAF CC[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 13488790 ILPYDESJPQRILS-FXAWDEMLSA-N 342.870 4.466 0 1 EIAF c1ccc(CCCNc2ncnc3oc(-c4ccccc4)nc23)cc1 28107374 XWLMHJLWIPIZAT-UHFFFAOYSA-N 330.391 4.330 0 1 EIAF CCCCCOc1ncccc1[C@H](O)CCCCCCC(=O)OC 28525771 BFHRRCYRDMEGBK-QGZVFWFLSA-N 337.460 4.198 0 1 EIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@H]2CC[C@@H]1C2 29485956 DYDRAJKNBFMRFG-NWSBILGQSA-N 341.451 4.032 0 1 EIAF CC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1 34646546 AITABWXKYWCQSY-INIZCTEOSA-N 335.407 4.421 0 1 EIAF O=C(C1CCCC1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71420875 AMCMPOSHPVAYCI-MRXNPFEDSA-N 343.402 4.120 0 1 EIAF O=c1nc(SCc2ccccc2)nc(SCC2CCCCC2)[nH]1 72124329 BJVWXGYDDZAXIF-UHFFFAOYSA-N 347.509 4.130 0 1 EIAF O=c1[nH]c(SCc2ccc(C(F)(F)F)cc2)nc2ccccc12 78824483 RXBRGKWVJMNNHL-UHFFFAOYSA-N 336.338 4.234 0 1 EIAF CC(=O)c1ccc([C@H](O)CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 95581903 AGVJWBPGCIBHSN-KXDMBUCYSA-N 326.436 4.098 0 1 EIAF CO[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 95586575 ZREKTMNXUFQZAY-KXDMBUCYSA-N 325.452 4.327 0 1 EIAF CC(C)Sc1nnc(CN(C)c2ccccc2)n1-c1ccccc1 95593295 RWWWMBYBGUBDKD-UHFFFAOYSA-N 338.480 4.404 0 1 EIAF O=C1N[C@H](c2cccc(C#Cc3ccccc3)n2)[C@@H](c2ccccc2)O1 140184898 RMPCVUXFUQSOII-NHCUHLMSSA-N 340.382 4.004 0 1 EIAF C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 169311810 CQZRHVILVDPGCV-UHFFFAOYSA-N 348.790 4.352 0 1 EIAF CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 169326439 ZBTJTYWUOIBBHI-XHJSXGDGSA-N 331.463 4.064 0 1 EIAF Cn1nc2c(c1C(C)(C)C)-c1nc(Nc3ccccc3)ncc1CC2 169702231 YQWPXHCRCPUSCC-UHFFFAOYSA-N 333.439 4.017 0 1 EIAF CCCCCNCC[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@H]1O2 299808227 JHHGXPAXHMPAAB-AHPFEBLUSA-N 337.504 4.151 0 1 EIAF COc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1OC 586971238 PPMLRPMIMNMQHS-UHFFFAOYSA-N 342.464 4.364 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006279 GJTYCKRLFWWFSZ-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF Cc1ncsc1CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587026416 DTGPTALTYJKUST-UHFFFAOYSA-N 329.322 4.271 0 1 EIAF O=C(O)c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1F 587085653 ZFWUISVMWFAACZ-UHFFFAOYSA-N 341.729 4.269 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587134941 XFWORYYRPYZYSE-UHFFFAOYSA-N 332.203 4.372 0 1 EIAF Fc1ccc2c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)coc2c1 587173842 BDPMTWAPGJBUPF-UHFFFAOYSA-N 336.301 4.440 0 1 EIAF CSc1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177519 LGFAWMJYTRMNLI-UHFFFAOYSA-N 328.416 4.086 0 1 EIAF Cc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Cl 587177739 XBKXIIBKGVUPCZ-UHFFFAOYSA-N 330.794 4.326 0 1 EIAF Cc1nc(N2CCCCC2)ncc1-c1cc2c3c(cccc3n1)CC2 587212387 OSIIGIHSYUSMIB-UHFFFAOYSA-N 330.435 4.089 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)cc2)N1 587817400 BTHYXEHRWPLIAC-BMLIUANNSA-N 348.215 4.024 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccs2)N1 587847676 LYTQAMGUWBBOAO-BJOHPYRUSA-N 340.261 4.447 0 1 EIAF O=C(O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 587921816 ANCBOKQIRDMWQU-NTEUORMPSA-N 341.363 4.280 0 1 EIAF Clc1ncc2nc(Cc3ccccc3Oc3ccccc3)nc-2[nH]1 587949360 TUTVNTRESPKBGN-UHFFFAOYSA-N 336.782 4.341 0 1 EIAF COc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587955755 NLMMAKCXJCLOQU-KRWDZBQOSA-N 329.403 4.341 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587962319 DNIJNPIHGLEZAZ-SSDOTTSWSA-N 334.725 4.279 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cnn(Cc2ccccc2)c1 963107749 SOIDFVLHFNQYJR-IRLDBZIGSA-N 347.437 4.180 0 1 EIAF O=C(O)c1cc(/C=C/c2ccccc2C(F)(F)F)cc(C(=O)O)c1 1772586399 WLGGDTOLXZQJSG-AATRIKPKSA-N 336.265 4.272 0 1 EIAF CC(C)(C)c1ccc(-c2csc(CNCC3CCNCC3)n2)cc1 1857588237 OMJXCESYUANRNT-UHFFFAOYSA-N 343.540 4.197 0 1 EIAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)Nc2ccccc2)[nH]n1 61905767 KXECUNFDDDNCBQ-UHFFFAOYSA-N 339.370 4.255 0 3 EIAF CN1C(=O)c2ccccc2O[C@@]12C=Cc1c(ccc3ccccc13)O2 1858522 RFMTWKVXSITTGM-OAQYLSRUSA-N 329.355 4.064 0 1 EIAF CC[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 13488791 ILPYDESJPQRILS-YLJYHZDGSA-N 342.870 4.466 0 1 EIAF COc1ccc2c(c1)O[C@@H]1c3ccc4c(c3OC[C@@H]21)C=CC(C)(C)O4 14708304 LQTXWAQTXRQFQG-OXJNMPFZSA-N 336.387 4.489 0 1 EIAF biogenic CCCC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O 28107709 KUONZPPZYRZOFL-UHFFFAOYSA-N 340.467 4.192 0 1 EIAF Cc1ccc(-c2cnccc2[C@@H]2SCC(=O)N2CC(C)C)cc1 28819669 VAQRYOMAJSIIGC-IBGZPJMESA-N 326.465 4.287 0 1 EIAF O=C(c1cccnc1)n1c(-c2ccccc2Cl)nc2ccccc21 40977230 DGMRVHWKPUZHHF-UHFFFAOYSA-N 333.778 4.440 0 1 EIAF Cc1cc(-c2ccncc2)cc2[nH]c([C@@H]3COc4ccccc4O3)nc12 49070365 KFPKDUCXKUGLED-IBGZPJMESA-N 343.386 4.446 0 1 EIAF O=C(Nc1ccccc1)N1OC[C@H]2CSc3ccc(F)cc3[C@H]21 62225384 IAJYBRMEGBQDPD-ZBEGNZNMSA-N 330.384 4.068 0 1 EIAF O=C(c1ncco1)[C@H]1CCc2cc(OCc3ccccc3)ccc2C1 71329066 ZYMUPRXSYFAWSN-SFHVURJKSA-N 333.387 4.241 0 1 EIAF C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136339 NNSRXNWUJQJDLG-ARGHAGFTSA-N 347.543 4.094 0 1 EIAF CCc1nc(C)cn1Cc1coc(-c2ccccc2Br)n1 72182970 DNMWSXYDERXIPI-UHFFFAOYSA-N 346.228 4.220 0 1 EIAF Nc1ncnc2c1oc1cc(-c3ccc(Cl)c(Cl)c3)cnc12 103244338 ISLHTOJVXQNZQZ-UHFFFAOYSA-N 331.162 4.327 0 1 EIAF O=C(O)C1CN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 145765918 BGZCTGTUNZJPEX-UHFFFAOYSA-N 336.218 4.177 0 1 EIAF CC1(C)[C@@H]2CC[C@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@H]1C2 169324276 ONBSSNHALHDLOT-GMTAPVOTSA-N 326.362 4.298 0 1 EIAF Cc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586901420 HGLFHQSQLRJWRX-LRDDRELGSA-N 343.224 4.203 0 1 EIAF Cc1cc(Cc2nc3cc4cn[nH]c4cc3[nH]2)ccc1Br 586975403 BVBOJSKMTKUTCF-UHFFFAOYSA-N 341.212 4.101 0 1 EIAF COc1cccc(-c2ccc(-c3nc4ncc[nH]c-4n3)c(Cl)c2)c1 587052565 VQFNNQNUZRTTJB-UHFFFAOYSA-N 336.782 4.301 0 1 EIAF CCc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c1 587061222 RMJCOMYDGMZPKG-UHFFFAOYSA-N 349.825 4.315 0 1 EIAF Clc1ccc(C2=C[C@@H](c3nc4cccc(Cl)c4[nH]3)ON2)cc1 587074967 AAQYFLQDJQYVJP-AWEZNQCLSA-N 332.190 4.487 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587087599 DWXVEOIYUHPPAG-ZCFIWIBFSA-N 333.169 4.014 0 1 EIAF CC(C)N1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587104155 DSKTYYLPNWNTMO-UHFFFAOYSA-N 328.415 4.213 0 1 EIAF COC(=O)[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106615 JYGQSYOKHITISL-HNNXBMFYSA-N 343.382 4.039 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 587160395 QNIJKNHEZUDHFA-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF Fc1nc(Cl)ccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587177579 NTZYQOAZFKCJOS-UHFFFAOYSA-N 331.656 4.316 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 587233312 LUVDIZKCIQJMFD-CMPLNLGQSA-N 335.835 4.377 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccccc31)O2 587396552 LTWXEXJBXIQGMA-OAQYLSRUSA-N 332.403 4.256 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC1(Cl)Cl)CC2=O 587458354 APQFINKKDYYQMG-UKRRQHHQSA-N 329.223 4.262 0 1 EIAF C[C@@]1(c2ccc(F)cc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587503051 KMQFANJDVPENHO-FQEVSTJZSA-N 325.383 4.167 0 1 EIAF CC[C@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525898 WDFIWAYGIIVWQJ-RBZFPXEDSA-N 330.424 4.021 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C[C@H](N)C(=O)O)c2c1 587642049 IZBOIKSLWDDESZ-UGSOOPFHSA-N 336.435 4.303 0 1 EIAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794925 WNDGSDSKJQPGDB-MGPLVRAMSA-N 337.236 4.157 0 1 EIAF C=Cc1cccc(-n2ncc3c(OCCc4ccccc4)ncnc32)c1 621477345 GZMDXXFAYIIKJI-UHFFFAOYSA-N 342.402 4.080 0 1 EIAF C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(=O)O)cc1 1772642004 MSQJZIBFTGYRJS-CYBMUJFWSA-N 325.408 4.173 0 1 EIAF CC(C)[C@]1(O)CC[C@]2(C)CC=CC[C@@H](OC(=O)c3ccc(O)cc3)[C@@H]21 2356530263 KQQUKTXLBQRNKT-YXYSEUPNSA-N 344.451 4.071 0 1 EIAF CC(C=Cc1ccccc1)=CC(=O)OC[C@H]1CCCN2CCCC[C@@H]12 2356773883 LFSIDNBLRSULJS-RTWAWAEBSA-N 339.479 4.454 0 1 EIAF Brc1ccccc1Oc1nc2ccccc2n2cncc12 17806 KFDAGDRVPWWLRT-UHFFFAOYSA-N 340.180 4.437 0 1 EIAF C[C@@H]1CCCCN1C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 429179 GHMPGBCUQVWVIB-OAHLLOKOSA-N 347.414 4.475 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@H]1CCN(CCC)[C@@H]1C2 2014065 LKLDMKAWSUSARS-UYAOXDASSA-N 344.499 4.479 0 1 EIAF Cc1sc(-n2cccc2CNCc2cccs2)c(C(=O)O)c1C 6750827 OVWACKSIZDGOMO-UHFFFAOYSA-N 346.477 4.205 0 1 EIAF CC(=O)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460251 AXMCVPFXFTXQER-QGZVFWFLSA-N 348.439 4.279 0 1 EIAF biogenic Fc1ccc(Sc2ncnc3c2ncn3Cc2ccccc2)cc1 13608670 MYVLGUBXADPZJM-UHFFFAOYSA-N 336.395 4.165 0 1 EIAF in-vivo Cc1cc(-c2ccc(Cl)cc2)nnc1NCCN1CCCCC1 13794249 VQVUIXDYVAPMOJ-UHFFFAOYSA-N 330.863 4.003 0 1 EIAF CCCc1nc2cccnc2n1Cc1cc(Cl)c(O)c(Cl)c1 26274729 VWSBIZMKDPPMHO-UHFFFAOYSA-N 336.222 4.445 0 1 EIAF CCOC1(OCC)[C@H]2c3c(C)cccc3[C@H]([n+]3ccccc32)C1(C)C 27517560 DNFVMODMZCENJC-UXHICEINSA-N 338.471 4.126 0 1 EIAF COc1ccc(CO[C@@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1 29206086 BIPGSFPDFZLUIK-RTBURBONSA-N 331.843 4.011 0 1 EIAF O=C1CC[C@H](O)c2c(O)ccc(Oc3cccc4cccc(O)c34)c21 39177224 UZKRRISSXVCYAA-ZDUSSCGKSA-N 336.343 4.053 0 1 EIAF biogenic O=C1C[C@H](C2CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl 40379637 OZOWSRZOGLLMRD-GFCCVEGCSA-N 341.238 4.276 0 1 EIAF Cc1ccc(-c2c(CCC(=O)O)c(C)nc(CC(C)C)c2CN)cc1 66065933 MFHBBDYLJWDADJ-UHFFFAOYSA-N 340.467 4.040 0 1 EIAF O=C(N1CC[C@@H](c2c[nH]c3ccc(F)cc23)C1)C1(c2ccccc2)CC1 84713977 CWZYFEBDHMXLMW-OAHLLOKOSA-N 348.421 4.355 0 1 EIAF Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1Cl 96284264 NKCLXTKCLZTUID-UHFFFAOYSA-N 345.815 4.206 0 1 EIAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(Cl)c(Cl)c1 96285990 ONPHGIGUECRBRL-UHFFFAOYSA-N 349.217 4.327 0 1 EIAF Nc1nc(Nc2ccccc2)sc1C(=O)c1cccc(Cl)c1 96905498 WHKVODLAPOJCFP-UHFFFAOYSA-N 329.812 4.353 0 1 EIAF Oc1ccccc1C1(c2nc3ccc(Br)c(F)c3[nH]2)CC1 586897212 UZXLJAVTSFHDLD-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF Cc1cc2[nH]c(COc3ccc(Br)cc3C)nc2c(C)n1 586981665 SKPLLIJZAARBPX-UHFFFAOYSA-N 346.228 4.225 0 1 EIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(O)cc3[nH]2)c1 587050439 KPYPTJLZCSKWRL-UHFFFAOYSA-N 329.787 4.183 0 1 EIAF Cc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1C 587075555 DYWBSPZQUVFQLG-INIZCTEOSA-N 325.799 4.450 0 1 EIAF Cc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C 587077255 SRUZXGPNDZJSBW-KRWDZBQOSA-N 325.799 4.450 0 1 EIAF Cc1cc(Br)c(-c2nc3cc4c(cc3[nH]2)OCO4)cc1F 587137529 ARKIEISYZFMQMJ-UHFFFAOYSA-N 349.159 4.169 0 1 EIAF N[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587156429 NKKICUDRCAJQIP-BZNIZROVSA-N 335.304 4.062 0 1 EIAF Cc1cncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587158071 DJAUVTCIAHFLCB-UHFFFAOYSA-N 343.365 4.411 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587170129 JINNPMCCTFIPEG-SECBINFHSA-N 348.374 4.435 0 1 EIAF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)c(Br)c1 587207998 JRSHKDFVIMHBPW-UHFFFAOYSA-N 326.193 4.469 0 1 EIAF Cc1nc2cccc3c2c(c1Cc1ccc(O[C@@H](C)C(=O)O)cc1)CC3 587212767 UWZHPEQXCSAKRN-AWEZNQCLSA-N 347.414 4.085 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N)cc1)O2 587388538 DLFVNHIXGRSDGH-JOCHJYFZSA-N 344.414 4.068 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(C3CC3)nc1C)O2 587414762 VTZAFFWBTVOHFN-GOSISDBHSA-N 328.437 4.100 0 1 EIAF CC[C@@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448680 BATTUGWXIPNSKG-PIGZYNQJSA-N 334.824 4.463 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCC)(c1c(C)n[nH]c1C)CC2=O 587482745 IZLUITLCXVGZEB-FQEVSTJZSA-N 342.439 4.345 0 1 EIAF O=C1C[C@@H](c2cnc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587504926 OROMMAAOVMIYDO-INIZCTEOSA-N 331.774 4.459 0 1 EIAF COc1cccc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528104 ZOYXLLVKAVPFBK-IBGZPJMESA-N 338.403 4.289 0 1 EIAF O=C1C[C@H](c2cc(-c3cccnc3)[nH]n2)Oc2c1ccc1c2CCCC1 587528423 ZJSNVQIRPGNSJS-HXUWFJFHSA-N 345.402 4.057 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C1CC1 587574927 CUIJNMKSCHLAED-RXVVDRJESA-N 347.370 4.232 0 1 EIAF C=C=C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601079 QPVFARHYMKXPHX-LAUBAEHRSA-N 336.387 4.480 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccncc2)N1 587775986 AUACQPWVUUPSSC-IAQYHMDHSA-N 349.247 4.191 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2)N1 587815883 QWWZFYIJUGRRLF-APPDUMDISA-N 334.232 4.386 0 1 EIAF CSC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587842002 CUBWFEWTFFWZPB-SDBXPKJASA-N 330.266 4.059 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2)N1 587855007 SVZSZUIPOQNUMJ-RMLUDKJBSA-N 326.234 4.273 0 1 EIAF CCCN1[C@H](c2cc(C(=O)OC)cs2)c2ccccc2C[C@H]1C 963244350 WDNINBJGXJFEPH-ACJLOTCBSA-N 329.465 4.281 0 1 EIAF COc1ccccc1[C@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61926152 FUJFSDUQTIAYBG-INIZCTEOSA-N 348.324 4.186 0 3 EIAF COc1ccc(CNc2cc(-c3ccccc3C)ncn2)c(OC)c1 4239216 DBZUUAZUDSUCCS-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF CCCCN(C)C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 6749248 FWSAVKAPSWEACV-UHFFFAOYSA-N 339.483 4.457 0 1 EIAF O=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)s1 25991416 IOIXXOZNWDTART-UHFFFAOYSA-N 339.892 4.369 0 1 EIAF C[C@]12CC[C@H]3[C@H]4Cc5cc(C=O)oc5C[C@@H]4CC[C@@H]3[C@@H]1CC[C@@H]2O 27423204 YEOOFMLWOGDHOL-RXHJUXRNSA-N 328.452 4.020 0 1 EIAF CNCCC[C@H]1Cc2ccccc2N(c2ccc(Cl)cc2)C1=O 28528509 JZXQQBOUEFCSBP-HNNXBMFYSA-N 328.843 4.177 0 1 EIAF Oc1nc2cc(-c3ccc(Br)cc3)nn2c2ccccc12 42921082 WUYILTMQXNFROG-UHFFFAOYSA-N 340.180 4.018 0 1 EIAF Cc1cccc(Nc2nc(-c3ccncc3CCCO)cs2)c1 45253978 HTUUNJMULIHEOH-UHFFFAOYSA-N 325.437 4.182 0 1 EIAF CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C[C@H]1O 64559483 WJSXAAQOMRPZMQ-YHVBFONYSA-N 334.500 4.322 0 1 EIAF COc1cc([C@H]2COc3cc4occc4cc3C2=O)c(OC)cc1C 95486013 CBBWEPMUFGEDOQ-OAHLLOKOSA-N 338.359 4.117 0 1 EIAF biogenic,in-vitro O=c1c2c(sn1-c1ccc(C(F)(F)F)cc1Cl)CCCC2 103182058 DHHXUPAECPUDGT-UHFFFAOYSA-N 333.762 4.450 0 1 EIAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 103522872 BHBOKWLDAWLBKQ-YWJBVVMDSA-N 349.814 4.151 0 1 EIAF COc1ccccc1-c1c2c(nc3n[nH]c(C)c13)CC(C)(C)CC2=O 206123846 VDLDHQANIGAJCG-UHFFFAOYSA-N 335.407 4.097 0 1 EIAF in-vitro Cc1nn(-c2ccccc2C(F)(F)F)c2c1c(=O)oc1ccccc12 299827685 QGJYETXFMFVDDE-UHFFFAOYSA-N 344.292 4.459 0 1 EIAF CC(=O)Nc1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1 584591207 QZSCJBLGVPAUTR-UHFFFAOYSA-N 342.402 4.261 0 1 EIAF Cc1ccc(-n2ccnc2SCc2nc3cnccc3[nH]2)c(C)c1 586966667 PQVVFZUPUPGVNL-UHFFFAOYSA-N 335.436 4.053 0 1 EIAF FC(F)(F)c1ncc2nc(-c3cc(Cl)nc4ccccc34)nc-2[nH]1 587085211 NCWTUCRANCPTHN-UHFFFAOYSA-N 349.703 4.192 0 1 EIAF Cc1ccc(NC(=O)[C@H](N=O)c2cc3c4c(cccc4n2)CC3)c(C)c1 587214033 VGVOGFPFWPCOMT-HXUWFJFHSA-N 345.402 4.396 0 1 EIAF O=C1c2ccc(O)cc2OC2(CCSCC2)[C@H]1c1ccc(F)cc1 587374737 PUPIGDJSCWWJCS-KRWDZBQOSA-N 344.407 4.156 0 1 EIAF CCc1nc2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2o1 587436161 MSRJPWRAOLFYMJ-SPLOXXLWSA-N 349.386 4.062 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)CC(C)(C)C[C@@H]1C 587487258 ZQHPIDKTUKDKKH-FKIZINRSSA-N 330.424 4.074 0 1 EIAF C[C@@]1(c2csc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531015 IDDMXFQRVUAEBL-IBGZPJMESA-N 342.416 4.206 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccncc2)N1 587779948 WXNLWARFUOVPKU-SIVHDPMNSA-N 347.231 4.272 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccc(F)c1 587870139 ADDSUGANOXLYSZ-UHFFFAOYSA-N 342.345 4.110 0 1 EIAF COc1ccc(CCCc2nc3cnc4ccccc4c3[nH]2)c(OC)c1 587928835 NJARDICKRLRKQH-UHFFFAOYSA-N 347.418 4.304 0 1 EIAF COc1ccc(/C=C/Cc2nc3cc(OC)c(C)cc3[nH]2)c(OC)c1 587929626 OEROQHSQJQKVKY-AATRIKPKSA-N 338.407 4.153 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(SC)cc3[nH]2)cc1 587938542 WYFFMGKGYLNEHL-DIFFPNOSSA-N 328.437 4.131 0 1 EIAF NC(=O)c1cccc(C2C[C@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 1772614720 KHPUWLSETPQJPL-FGZHOGPDSA-N 348.490 4.129 0 1 EIAF Clc1cccc(CN=c2nc3cc(-c4ccccc4)ccn3[nH]2)c1 1857617197 UOXXQTAARCFSKS-UHFFFAOYSA-N 334.810 4.084 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@H](C)C(=O)c3occ(C)c3[C@@H]2C=C1C 2356607013 MKWWNWBOBCXLHD-ZJIFWQFVSA-N 328.408 4.348 0 1 EIAF Cc1ccc(C)c2c1cc(C)c1nnc(SCc3ccccn3)n12 415361 ANZNFCVZMLZYEL-UHFFFAOYSA-N 334.448 4.495 0 3 EIAF COc1ccc([C@H](O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 61925618 SCHJAXFXUBWOTH-INIZCTEOSA-N 333.359 4.179 0 3 EIAF COC(=O)Cc1nc(NC2CCCCCC2)c2c(C)c(C)sc2n1 753826 OULRPSODJBOLOS-UHFFFAOYSA-N 347.484 4.158 0 1 EIAF COCc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1 13739716 XIILQINDRFMPIR-UHFFFAOYSA-N 342.460 4.331 0 1 EIAF O=C(N1CCCC1)N1Cc2c(-c3ccccc3)ncn2-c2ccccc21 13758878 PWKRRGLRPVTOBG-UHFFFAOYSA-N 344.418 4.075 0 1 EIAF COc1cc2ccnc(C(=O)c3ccc(Cl)cc3)c2cc1OC 26665231 REPOQYYSTOSIEX-UHFFFAOYSA-N 327.767 4.136 0 1 EIAF CSc1ccc(Cc2nn(C(C)(C)C)c(=O)c3ccccc23)cc1 34821362 ZIWXBECYJZEIKT-UHFFFAOYSA-N 338.476 4.464 0 1 EIAF O=C(c1ccc(-c2nnc(-c3cccs3)o2)s1)C(F)(F)F 40379955 SDZYIFVVCCKFKG-UHFFFAOYSA-N 330.312 4.272 0 1 EIAF CC(C)(C)c1ccc(O[P@](=O)(O)[C@H](N)CCc2ccccc2)cc1 49116042 CJMCRRZLZPAWLQ-SFHVURJKSA-N 347.395 4.466 0 1 EIAF CC(=O)N[C@@H](CC(=O)c1cc(C)sc1C)c1ccc(Cl)cc1 72113773 SOXUEFHAIPKBQP-INIZCTEOSA-N 335.856 4.469 0 1 EIAF CCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82174970 PNQUOJUVWNKGMC-UHFFFAOYSA-N 326.375 4.458 0 1 EIAF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5[nH]ncc5C[C@@]4(C)[C@@H]3CC[C@]21C 100299221 LKAJKIOFIWVMDJ-GJDYGTDVSA-N 328.500 4.118 0 1 EIAF world c1ccc(Cc2cn(Cc3ccccc3)c[n+]2Cc2ccccc2)cc1 169331278 AWUBALKWJRIFPS-UHFFFAOYSA-N 339.462 4.463 0 1 EIAF Cc1cccc(OCCCn2c3c(c4cc(F)ccc42)CNCC3)c1 169350521 ITZGZQBWMOLAMG-UHFFFAOYSA-N 338.426 4.204 0 1 EIAF O=C(Cc1ccc(-c2ccc3nccn3c2)cc1)Nc1ccccc1 299823198 DUXOTDRLSJMZMX-UHFFFAOYSA-N 327.387 4.183 0 1 EIAF Brc1ccnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586885554 WHXPABHEMCRSSC-DJQAVVSRSA-N 332.245 4.188 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586914820 YGTUIZROSFOCSN-VXNVDRBHSA-N 344.640 4.046 0 1 EIAF CNc1c(F)cccc1-c1nc2cc(F)cc(Br)c2[nH]1 587135460 BTPJQWYPTGDSQP-UHFFFAOYSA-N 338.155 4.312 0 1 EIAF COc1ccc(-c2nc3cccc4c3c(c2CCCC(=O)O)CC4)cc1 587213752 KXIGEGDMTKKGSP-UHFFFAOYSA-N 347.414 4.416 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1C)O2 587377835 PBRWZMLVSBWKMU-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(F)cccc1F)O2 587382173 PFABHHFSANIKSK-IBGZPJMESA-N 331.362 4.212 0 1 EIAF CN1CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587514398 OBCDUPIAPLOEIM-NRFANRHFSA-N 333.431 4.264 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cc(Br)cn1 587628683 RWOXBIISKXAZDP-UHFFFAOYSA-N 328.572 4.217 0 1 EIAF O=C(Cc1ccc2ccccc2c1)n1ncc2ccc(Cl)cc2c1=O 587652587 VZTCLUAFTHKLEU-UHFFFAOYSA-N 348.789 4.086 0 1 EIAF COCC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797587 WGMAUPJSANJTIT-MEDUHNTESA-N 344.268 4.010 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc32)N1 587820268 ZMVQROZXQMDFHP-VOJFVSQTSA-N 346.243 4.312 0 1 EIAF COc1cc(Cc2c[nH]c3ccc(Cl)cc23)c(N)c(OC)c1OC 653725383 NULZHKOMCGUOLB-UHFFFAOYSA-N 346.814 4.020 0 1 EIAF CC1(C)COC(CCC[C@H]2c3c(F)cccc3C[C@H]3CCCN23)OC1 963112138 WQNFDVRKHKDAIE-AEFFLSMTSA-N 347.474 4.457 0 1 EIAF Oc1ccc2c(c1)[C@@](c1ccccc1C(F)(F)F)(C1CC1)NCC2 963341975 PGRAQKKOMNNLPH-SFHVURJKSA-N 333.353 4.210 0 1 EIAF COc1ccc(CCCC[C@H](O)CCc2ccc(OC)cc2)cc1 2356574434 ZPRCWTMOJIUUMV-IBGZPJMESA-N 328.452 4.410 0 1 EIAF COc1c([C@@H]2COc3cc(O)ccc3C2)ccc2c1C=COC2(C)C 14650509 FHUJPAOFRVLFNQ-AWEZNQCLSA-N 338.403 4.356 0 1 EIAF endogenous,in-man CC(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1 26991652 DKSOHNUQIJWTPQ-UHFFFAOYSA-N 346.365 4.389 0 1 EIAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Cc1ccccc1 27524649 LCRRHVAUJKMFPH-HXUWFJFHSA-N 326.399 4.087 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C\Cl)[C@@H]1CC[C@@H]2O 28568740 PHKKCWVLOCDAJQ-FUOJFWRFSA-N 336.903 4.404 0 1 EIAF Cc1c2c(c(C)n1-c1ccc(Cl)cc1)[C@@](C)(C(N)=O)CC2(C)C 39215388 YFWYSESREXRBLI-IBGZPJMESA-N 330.859 4.172 0 1 EIAF O=C([C@H]1CCCc2c1c1ccccc1n2CCF)N1CCCCC1 73197028 MCKAREGHLPTICA-INIZCTEOSA-N 328.431 4.043 0 1 EIAF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 82214711 YZYBHECDGTXOGU-OAHLLOKOSA-N 340.471 4.082 0 1 EIAF Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(-n3ccnc3)cc2)n1 103179982 MQVXEQOHYVMICW-UHFFFAOYSA-N 347.809 4.232 0 1 EIAF CNC1=CC2=CC[C@@H]3[C@H](CC[C@]45CN[C@@H](C)[C@H]4CC[C@@H]35)[C@@]2(C)CC1 153003189 CUBFRIYMPHETLI-LJZXKFISSA-N 326.528 4.250 0 1 EIAF O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845741 VGXAKPBLUMROSA-QHAWAJNXSA-N 334.463 4.061 0 1 EIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccnc2[nH]1 586997490 YBORDBWDRUNREY-UHFFFAOYSA-N 332.201 4.035 0 1 EIAF Cc1cccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587020269 KXGDBQHZGPOVBE-UHFFFAOYSA-N 344.440 4.266 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CC(=O)[C@H]4C1)-c1ccccc1C2=O 587100328 GLSXJEOGUJGBKV-XHDPSFHLSA-N 325.367 4.298 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587161858 RTVBIBNUVXXSSY-QWRGUYRKSA-N 332.281 4.295 0 1 EIAF CC(=O)NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCC(C)CC1 587234486 NHXKMQDAJPQAEE-UHFFFAOYSA-N 339.361 4.123 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCC(OC(C)C)CC1)CC2=O 587481961 QIQHQDVNPONQDX-UHFFFAOYSA-N 332.440 4.416 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)cc1C)CC2=O 587489602 OKIBTYOIIXIKQZ-FQEVSTJZSA-N 326.392 4.239 0 1 EIAF CC(=O)Nc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512758 PGNCHJWSLFROJR-FQEVSTJZSA-N 335.403 4.230 0 1 EIAF OCc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956093 TVQZTJYQDVRKHT-LJQANCHMSA-N 328.415 4.430 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1cc(F)c(C)c(F)c1)N(C)[C@H](C)C2 962634645 LAHITEJJAYLJSO-GIPWTMENSA-N 347.405 4.256 0 1 EIAF Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)C(=O)CC2 1857534972 RMQXNLKRGQXJCU-UHFFFAOYSA-N 332.359 4.031 0 1 EIAF O=C(N(Cc1ccc(F)cc1)Cc1cccc(F)c1F)C(F)(F)F 1857759817 IAPCQSLEJOKTMP-UHFFFAOYSA-N 347.258 4.195 0 1 EIAF COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@@H]12)C4 2356383384 LFZKYFUJTHRDRN-HFQYRZGWSA-N 332.484 4.099 0 1 EIAF COc1ccc([C@@](C)(O)c2nc(-c3ccccc3C)cs2)cc1 61905083 CMPDPYFEINEAJG-LJQANCHMSA-N 325.433 4.383 0 3 EIAF COc1cccc([C@@H](O)c2nc(-c3cccc4cccnc34)cs2)c1 61925508 CQSUOINIDGQDEY-LJQANCHMSA-N 348.427 4.449 0 3 EIAF Oc1cccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1 4617986 CFVWLSFPWIECRQ-UHFFFAOYSA-N 326.359 4.479 0 1 EIAF O=C(N[C@H](c1ccccc1)C1CCCCC1)OCCCc1c[nH]cn1 13490980 HRBGUFPRCCRUJW-LJQANCHMSA-N 341.455 4.390 0 1 EIAF COc1c(O)c(C(C)=O)c(OCc2ccc(F)cc2)c2ccoc12 13682297 NVUPXJVMCKGGKS-UHFFFAOYSA-N 330.311 4.068 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 13823510 QLZOSNWYWZNEJT-OAGDOXAWSA-N 330.468 4.452 0 1 EIAF CC1=CC=CC2=NC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)CN12 13977874 LPEVFFGZIOHILQ-FQEVSTJZSA-N 328.415 4.340 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1nccn1 26396630 DQFSOCQBGGWYNF-ZBGUWCLVSA-N 339.483 4.053 0 1 EIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27418847 ZDXVLUHOOVYRHN-PRXWIKJSSA-N 342.479 4.410 0 1 EIAF CCn1c(-c2cc(-c3ccc(F)cc3F)ccc2O)n[nH]c1=S 28712827 DOBOUHCAVMUXPX-UHFFFAOYSA-N 333.363 4.278 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(OC(=O)c4ccccc4)cc3[C@]1(C)CCN2C 29407538 PIPQWCKFSXAYCI-ZAOYMGCJSA-N 335.447 4.060 0 1 EIAF COC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 40974907 AGZRTKZYIQKYOJ-IBGZPJMESA-N 334.419 4.122 0 1 EIAF CCCCCN1C(=O)[C@@](C)(c2ccc3c(c2)OCO3)c2ccccc21 71334162 XUZKDDOXRSHWCW-NRFANRHFSA-N 337.419 4.258 0 1 EIAF O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(Cl)cc1 71340387 DIPRPJOBKLUDNB-UHFFFAOYSA-N 330.689 4.489 0 1 EIAF CCN(CC)c1ccc(NC(=O)c2ncoc2-c2ccco2)cc1 74394556 KNCGVNOXFFFQTO-UHFFFAOYSA-N 325.368 4.033 0 1 EIAF COc1ccc(CNc2cc(-c3ccc(F)cc3F)ncn2)cc1 82160195 KQDZGNCJKJYJAB-UHFFFAOYSA-N 327.334 4.043 0 1 EIAF FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1 95563614 OMMHQUDWONZRDG-UHFFFAOYSA-N 338.398 4.266 0 1 EIAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2s1 96270453 AVKKQBJQERVCTD-UHFFFAOYSA-N 349.419 4.263 0 1 EIAF Clc1ccc2c(NCCNCc3cnccc3Cl)ccnc2c1 96928860 VBNLJNPWSKEYCA-UHFFFAOYSA-N 347.249 4.138 0 1 EIAF C[C@@H](O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243568 DETWBNHUPBJSGA-LLVKDONJSA-N 330.767 4.079 0 1 EIAF CC(C)[C@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl 103272413 NGVISUPEKJPCPN-LBPRGKRZSA-N 340.703 4.280 0 1 EIAF COC(=O)[C@H]1[C@@H](c2cccc(-c3ccccc3)c2)C[C@@H]2CC[C@@H]1N2C 169368821 GDTWDHOANPFJQI-WOZUAGRISA-N 335.447 4.093 0 1 EIAF CCCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211053194 NDRADVRRQGHCEF-UHFFFAOYSA-N 343.423 4.034 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)C2 586888792 YLRJGSCCAJJOND-DCAQKATOSA-N 336.313 4.100 0 1 EIAF Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1C 587006192 AISRVNHZYAFWEG-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF Cc1ccc2c(ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c32)n1 587034521 GZBUBJRBXJYRRY-INIZCTEOSA-N 335.432 4.338 0 1 EIAF O=C(CCc1nc2cc(Cl)c(F)cc2[nH]1)Nc1cccc(F)c1 587162017 GMRPALHYEGUMRR-UHFFFAOYSA-N 335.741 4.066 0 1 EIAF CSc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178224 VVQKHISFCCSGIH-UHFFFAOYSA-N 338.205 4.248 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c1C 587239868 ZHYVLCKTCDUCMM-UHFFFAOYSA-N 347.340 4.380 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3ccccc3c1Cl)O2 587378258 AYKAGWRLBFZKLP-HNNXBMFYSA-N 326.783 4.418 0 1 EIAF CCCCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398043 AEJHMGSFPDLCEH-LJQANCHMSA-N 325.408 4.463 0 1 EIAF CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587400231 PFVHVKNCJUIEFB-IBGZPJMESA-N 325.408 4.463 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(F)c1O)CC2=O 587466442 NVRCYJUPVQXOOZ-INIZCTEOSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(O)c(C)c1)CC2=O 587489614 OMQOVAAGVNPBDZ-SFHVURJKSA-N 326.392 4.374 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1nc(C)c(C)s1)CC2=O 587493903 IOMXARAWALWPJV-SFHVURJKSA-N 331.437 4.299 0 1 EIAF CNc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743375 OKHNNRGSWNJSNA-DYZYQPBXSA-N 349.247 4.254 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587772600 OOJWNSAUBVTKPV-APPDUMDISA-N 349.247 4.089 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3cc(C)c(F)cc3[nH]2)cc1OC 587927083 RKIWYSHKNVYWNT-GFCCVEGCSA-N 328.387 4.374 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(SC)cc3[nH]2)cc1 587938537 WYFFMGKGYLNEHL-APPDUMDISA-N 328.437 4.131 0 1 EIAF Brc1nccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951567 PEXOBHFKRYIRKK-UHFFFAOYSA-N 344.212 4.319 0 1 EIAF COc1ccc(-c2nc3cc4cccnc4c(Cl)c3[nH]2)c(OC)c1 653818664 UJUHYXOVRXZGST-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(-c2cccs2)cc1 963118191 ARKDVKMIYKAEAS-IBGZPJMESA-N 335.428 4.348 0 1 EIAF CC[C@@H](NCCF)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772602901 UYVKZXOKBMJBKU-CQSZACIVSA-N 338.785 4.115 0 1 EIAF O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1 1857551033 MSZQJPBGSGRIKL-MDZDMXLPSA-N 327.327 4.118 0 1 EIAF COC(=O)C1=CC[C@H](O)[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 2356660924 VOZNRJDFORFHSI-SUWCZPGGSA-N 346.467 4.135 0 1 EIAF Cc1ccc(C[C@@]2(C)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 61908182 ZOWRRHAYRCEQCD-QGZVFWFLSA-N 335.325 4.346 0 3 EIAF Cc1cccc(C(=O)c2ccc(OCCN3CCCCC3)c(C)c2)c1 40952921 IVPMNNXGYJBBGM-UHFFFAOYSA-N 337.463 4.399 0 1 EIAF O=C(NCc1ccc(Oc2ccccc2)s1)c1cnc2[nH]ccc2c1 58608255 OTPCLNJGKRYWKQ-UHFFFAOYSA-N 349.415 4.347 0 1 EIAF CCc1ccc(-c2cc(NCc3cc(OC)cc(OC)c3)ncn2)cc1 82161090 CHAJLJXHRCJQGC-UHFFFAOYSA-N 349.434 4.335 0 1 EIAF O=c1ccoc2cc(OCc3ccc(Br)cc3)ccc12 89469843 BFMIHUVGJBDZLU-UHFFFAOYSA-N 331.165 4.135 0 1 EIAF COc1ccc(-c2nnc(CCCc3c[nH]c4ccccc34)o2)cc1 96917110 NXEVXSHIBJDKEN-UHFFFAOYSA-N 333.391 4.402 0 1 EIAF CCNc1ccc(-c2ccc3cc(OC[C@@H](O)CF)ccc3n2)cc1 149109132 KKZWUWREXYAJBM-KRWDZBQOSA-N 340.398 4.043 0 1 EIAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 169334807 UBTJBCNZKMTYEM-HTAPYJJXSA-N 332.447 4.467 0 1 EIAF Cc1cc(Br)cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586888728 XQZKKAMSPREPIU-GRYCIOLGSA-N 345.240 4.273 0 1 EIAF FC(F)(F)c1cc(Br)c2[nH]c(C3=COCC3)nc2c1 586913091 MHJLIOZITDDFDW-UHFFFAOYSA-N 333.107 4.105 0 1 EIAF O=NCc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587189370 AKUXXQQFVDPYON-UHFFFAOYSA-N 334.148 4.398 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)cc(C)c(C=O)c1C)O2 587407216 YXNMLBZRCYZHHI-NRFANRHFSA-N 337.419 4.196 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1cccnc1)[C@@H](C2)C3=O 587436814 UGHQMLKOPNEHGA-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N(C)C)CC2=O 587467578 FGICGWFIOTXJEK-LJQANCHMSA-N 325.408 4.117 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1cn(CC)nc1C)CC2=O 587479058 YARKYTVITJJBIO-FQEVSTJZSA-N 342.439 4.140 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1C(C)(C)C)CC2=O 587480684 FZWPJAPOBRQZSW-MRXNPFEDSA-N 328.412 4.072 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCO3)CC2=O 587485874 KJQQZVUWXOIRHE-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc3ncccc13)CC2=O 587492950 YVVRHUDYQUDKLC-LJQANCHMSA-N 349.386 4.305 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2ccc(OCCN(C)C)cc2[nH]1 587954623 CCXBKYRFKVJEDF-UHFFFAOYSA-N 337.467 4.138 0 1 EIAF COCCC[C@]1(c2ccc(F)cc2)NCCc2ccc(F)c(C)c21 962150237 YJNUYVWJXQXRJQ-HXUWFJFHSA-N 331.406 4.089 0 1 EIAF CCOC(=O)C[C@@H]1CCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963126242 VTFJDZBAYXPQOK-APPDUMDISA-N 342.266 4.088 0 1 EIAF COc1ccc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1 1857569149 DHCIMAVXPHVRLC-UHFFFAOYSA-N 342.402 4.064 0 1 EIAF COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1O 2356629726 OLMIQOIPLQDJFU-ZIAGYGMSSA-N 328.408 4.187 0 1 EIAF COc1cc(NC(=O)/C=C/c2cccs2)ccc1-c1cnco1 12354237 XTODCJWTFXNKQI-FNORWQNLSA-N 326.377 4.064 0 1 EIAF O=C(Nc1ccccc1)Nc1nc(-c2ccccn2)nc2ccccc12 13808614 XZUXPDFYRHJJLN-UHFFFAOYSA-N 341.374 4.336 0 1 EIAF in-vivo CSc1ccc(NN2C(S)=N[C@H](C)[C@H]2c2ccccc2)cc1 29332013 RGIDQVFRBZHVPG-WBMJQRKESA-N 329.494 4.467 0 1 EIAF CCc1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 35087130 JCMQCVZCTHXSRM-UHFFFAOYSA-N 341.794 4.445 0 1 EIAF CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN)cc1 39649523 SFEOYWFEYXSMMF-UHFFFAOYSA-N 337.419 4.344 0 1 EIAF CO[C@@H]1O[C@@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 40394410 ROHYJLCJKKOGCB-JHRWBQMSSA-N 348.483 4.127 0 1 EIAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 45284041 YVAQXSJDDQRTTP-OAQYLSRUSA-N 332.399 4.352 0 1 EIAF Nc1cc(F)ccc1Nc1ccc2c(c1)CC(=O)c1ccccc1C2 49783970 NRFWOIPKSJTLMI-UHFFFAOYSA-N 332.378 4.481 0 1 EIAF Cc1c(CC2CCCCC2)nc(SCc2ccccc2)[nH]c1=O 66251133 PJUJCKWAZFNWLS-UHFFFAOYSA-N 328.481 4.493 0 1 EIAF CN1CCC(N(C)Cc2coc(-c3cccc4ccccc34)n2)CC1 72101001 JQMIJQBOXUHOQO-UHFFFAOYSA-N 335.451 4.021 0 1 EIAF CO[C@H]1O[C@@]2(CCN(CCCCc3ccccc3)C2)c2ccccc21 84730048 FYTIWXPCVXQIHB-FCHUYYIVSA-N 337.463 4.286 0 1 EIAF O=C(/C=C/c1c[nH]c2c(O)cccc12)N/C=C/c1c[nH]c2ccccc12 85601521 NAQAXMIVPGGWLA-BNFZFUHLSA-N 343.386 4.155 0 1 EIAF CC(C)C(=O)Nc1ccc2c(c1)-c1ccccc1[C@]2(O)C(F)(F)F 144708910 YMTVUOAQBQHRTG-QGZVFWFLSA-N 335.325 4.060 0 1 EIAF CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 196481605 ZBTJTYWUOIBBHI-FIEBPNJBSA-N 331.463 4.064 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 299805822 NNSRXNWUJQJDLG-DRQAIXLZSA-N 347.543 4.094 0 1 EIAF Brc1cncc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886997 RLDMGSMPCFWVHJ-SJKOYZFVSA-N 340.224 4.092 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(F)c2[nH]1 586915887 IXPBCAZBHIAWSD-VLIAUNLRSA-N 338.382 4.227 0 1 EIAF Cc1ccc2c3c(cc(-c4ncc(F)cn4)nc13)-c1ccccc1C2=O 586997695 WABMSFQKXCXOSS-UHFFFAOYSA-N 341.345 4.351 0 1 EIAF Cc1ccc2c3c(cc(CCCC(=O)O)nc13)-c1ccccc1C2=O 587100017 DDYPPAAEWKOELO-UHFFFAOYSA-N 331.371 4.162 0 1 EIAF CC(=O)N[C@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(C)cc1 587206810 OKVWRGRHSLSSLO-MRXNPFEDSA-N 341.842 4.253 0 1 EIAF COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1C 587231558 BVQRIBYBDKXJII-UHFFFAOYSA-N 347.418 4.430 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(F)c(F)c1)O2 587386218 UPUKKFFYYIGOFX-IBGZPJMESA-N 331.362 4.212 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(F)c1)CC2=O 587466311 KTHKRAVCOOQBQD-SFHVURJKSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccccc1F)CC2=O 587466828 MXYMBRAEKOTTLZ-HXUWFJFHSA-N 328.383 4.450 0 1 EIAF Cc1cc(OC(=O)C(C)(C)C)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 1857747175 SAXNSSPGODEHLV-PZSREKOKSA-N 330.424 4.051 0 1 EIAF CCCCCC=CC=CCCCCCCCC(=O)OC[C@@H](O)CO 2356545971 USPSDZQQNLMVMK-IBGZPJMESA-N 340.504 4.306 0 1 EIAF CC(C)[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 95566594 FFUQJTSTQDCUMW-CJNGLKHVSA-N 336.815 4.390 0 3 EIAF Cc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C)n1 13489751 QPWLEFJRGRXTNN-UHFFFAOYSA-N 342.406 4.085 0 1 EIAF C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 13560069 DARNEFFTPDYZKR-LCIZUOBNSA-N 341.524 4.203 0 1 EIAF COc1ccc2c(c1)CCC(c1ccc(OC)c(OC)c1OC)=C2 28651109 KNCXAHRBEFCGRN-UHFFFAOYSA-N 326.392 4.208 0 1 EIAF c1cnc2c(n1)Nc1cc(CN3CCCCCCC3)ccc1S2 38229955 VXIBABRBIGBHMF-UHFFFAOYSA-N 326.469 4.451 0 1 EIAF COc1cc(OC)c2c(OC(=O)c3ccccc3Cl)ccnc2c1 45284068 FRWTZTYUFSTEPR-UHFFFAOYSA-N 343.766 4.125 0 1 EIAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1 45285026 JLLUPEVJHDHQCE-NRFANRHFSA-N 348.398 4.340 0 1 EIAF CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1 49071688 IQXIRVNLFHLIHC-UHFFFAOYSA-N 333.313 4.218 0 1 EIAF COc1cc2c(cc1C)[C@H]1C[C@H](O)[C@H](C(C)(C)O)[C@@]1(C)CC[C@@H]2C 59779227 FZENUYZVBHVPLY-JPCXWIOISA-N 332.484 4.143 0 1 EIAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(-c2ccc(O)cc2)c1 72107543 BDIATJTVVGGVGF-CXAGYDPISA-N 338.403 4.159 0 1 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 85614644 YQNLDLVKFNZFTI-BAMIAOAASA-N 332.440 4.105 0 1 EIAF in-man CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C/c3ccccc3F)[C@@H]2CC1 96939258 OXZJQFNEZSBRKQ-GVMQHPCSSA-N 342.410 4.022 0 1 EIAF CN1[C@H]2CC[C@H]1CC(Oc1nc(-c3ccccc3)nc3ccccc13)C2 100820501 GPNLLUUEZVTWAA-IRXDYDNUSA-N 345.446 4.301 0 1 EIAF CN(C)[C@@H]1[C@@H]2CC[C@H](C[C@@H]2OC(=O)c2ccccc2)[C@@H]1c1ccccc1 100839645 RNZUABSIOANGLF-LXHROKJGSA-N 349.474 4.356 0 1 EIAF COc1cc(CCCCC(=O)CCc2ccc(O)cc2)ccc1O 140248513 FWPWFBYFCSNHGM-UHFFFAOYSA-N 328.408 4.021 0 1 EIAF COc1cccc(N(C)C(=O)c2cnc(-c3cccc(C)c3)s2)c1 169351571 GAPXWANXZGVGIY-UHFFFAOYSA-N 338.432 4.404 0 1 EIAF COC(=O)c1ccnc2[nH]c(-c3c(C)cccc3-c3ccccc3)nc12 586878902 MHLOBJLQGYSMJV-UHFFFAOYSA-N 343.386 4.387 0 1 EIAF Clc1ncnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 587033087 RKOAXCUMBXSLRF-UHFFFAOYSA-N 341.827 4.014 0 1 EIAF Cc1c(C2CCNCC2)nc2cccc3c2c1-c1ccccc1C3=O 587105644 CFRVOAPFIUFIES-UHFFFAOYSA-N 328.415 4.222 0 1 EIAF C[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156674 PASZTEXGBCYXGV-QGZVFWFLSA-N 347.752 4.286 0 1 EIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccccc2[nH]1 587199022 WMYLOIXCQXCOSD-UHFFFAOYSA-N 342.402 4.089 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2ccc(F)c(C)c2[nH]1 587228518 DWDCLIVBNZUBKW-UHFFFAOYSA-N 327.403 4.372 0 1 EIAF COc1c(C)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587375774 OVOVAWLTTYEJNB-IBGZPJMESA-N 345.826 4.428 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCC(C(F)(F)F)CC1)O2 587382276 LEMLJIIGLHXEJE-QKFMDRJYSA-N 327.346 4.280 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(Cl)c1Cl)[C@@H](C2)C3=O 587421662 WGKRFUWMJDKBHJ-APPDUMDISA-N 335.186 4.491 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)(C(C)C)[C@@H](C2)C3=O 587427833 WDDPNFHCBDHAFT-XOBRGWDASA-N 344.357 4.272 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(C)=O)cc1)CC2=O 587471864 WACBUTJTZVLHOK-LJQANCHMSA-N 339.391 4.010 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC13CCOCC3)CC2=O 587486587 LXZMGMQWKVVXLY-HXUWFJFHSA-N 330.424 4.029 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(C(C)C)CC2=O 587489997 NWFMMEWGJWCEBQ-HXUWFJFHSA-N 325.408 4.256 0 1 EIAF COC(=O)[C@H]1CCC[C@@]2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587522123 FADKIXBZGCDALJ-YCRPNKLZSA-N 342.435 4.023 0 1 EIAF Cc1[nH]c2c(C)cc(Cl)cc2c1CCOc1ccccc1C(N)=O 587627307 SCVAZYRIKVXBGW-UHFFFAOYSA-N 342.826 4.159 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@H]2CCCO2)N1 587829929 DDDSSFDFYZPPIB-MPKXVKKWSA-N 342.252 4.123 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587963249 RHIORWXMXVOELH-SSDOTTSWSA-N 334.725 4.279 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cn(C)nc1-c1ccncc1 963230211 PAIFNXPWGXCJNK-OPAMFIHVSA-N 346.478 4.228 0 1 EIAF Cc1ccccc1COc1cccn2c(C3CCN(C)CC3)c(C)nc12 1857537658 PSHMFHPZOGJVSF-UHFFFAOYSA-N 349.478 4.339 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253778378 HQWPPVLSHLFTDY-VMUILHIYSA-N 329.484 4.180 0 3 EIAF CCNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13491304 KPYJFQDJNXSVFL-UHFFFAOYSA-N 346.386 4.442 0 1 EIAF COc1cc(O)ccc1[C@@H]1COc2c(ccc3c2C=CC(C)(C)O3)C1 15257338 IIZFTELYWMLCKS-AWEZNQCLSA-N 338.403 4.304 0 1 EIAF endogenous,in-man O=C(O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1 59871233 JQZUDSNBAXOOQN-UHFFFAOYSA-N 333.387 4.345 0 1 EIAF C=COCOc1cc(O)c2c(c1)CCCCCCC[C@@H](C)OC2=O 66098675 NSLGETNHCPLVHO-CQSZACIVSA-N 334.412 4.331 0 1 EIAF COc1ccc(Cn2cnc3c(-c4ccco4)cc(Cl)nc32)cc1 72112119 HCPMFUQVMOGNBJ-UHFFFAOYSA-N 339.782 4.402 0 1 EIAF COc1ccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72114725 ALPCHFMDCXSHBE-NRFANRHFSA-N 345.446 4.494 0 1 EIAF C[n+]1c(-c2ccccc2)cc2/c(=C\c3ccccc3)c3ccccc3n21 84459814 PEODWEZQVBCRQA-PGMHBOJBSA-N 335.430 4.132 0 1 EIAF Clc1ccc(CN(Cc2cccnc2)Cc2nccs2)cc1 96270195 KXQYVPUPJCXUCQ-UHFFFAOYSA-N 329.856 4.394 0 1 EIAF Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 96905859 AERMLVKVFDAACV-DHDCSXOGSA-N 344.823 4.159 0 1 EIAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N(C)C2 100844639 NRQIOYJXOKSZCR-NBMRYCAZSA-N 335.875 4.106 0 1 EIAF CC[C@]1(C(=O)NCCc2csc(Cl)c2)[C@H](C)C1(Cl)Cl 103296624 NWCZRMFAJBBUKH-QPUJVOFHSA-N 340.703 4.280 0 1 EIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(F)cccc3CC[C@@H]21 117627099 ZOAXBNRBMBWPOC-BEFAXECRSA-N 349.409 4.037 0 1 EIAF O=C(Nc1ccnc2ccccc12)c1cc(NC2CCCCC2)ncn1 149746936 TZFMZIWHSKGSQT-UHFFFAOYSA-N 347.422 4.022 0 1 EIAF COc1ccccc1Nc1ccccc1-c1nc2ccnc(OC)c2[nH]1 587240341 IJWXOMUSELYYSQ-UHFFFAOYSA-N 346.390 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3cc(C)c(Cl)cc31)O2 587380411 UMRQLMHKUZHPJP-LJQANCHMSA-N 341.794 4.306 0 1 EIAF CCCn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587391089 PKOBMUGLVNXGBA-GOSISDBHSA-N 335.407 4.043 0 1 EIAF CCOc1ccc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587395330 PUUDBZYOURLVLX-FQEVSTJZSA-N 348.402 4.231 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccncc1)CC2=O 587470829 MKGSYERMDGAYSM-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(O)cc1C)CC2=O 587480147 FKMXFTXOWMYAJH-IBGZPJMESA-N 326.392 4.374 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(C)nc1C)CC2=O 587496466 XYXBUWHTJGUQOT-GOSISDBHSA-N 331.437 4.299 0 1 EIAF C[C@@]1(c2c(N)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506047 OBAKTWKXCVREJK-FQEVSTJZSA-N 325.383 4.167 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCC[C@H]1C 587623295 FCPFXVMIGKYAKF-SECBINFHSA-N 347.260 4.494 0 1 EIAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2c(C(=O)O)cccc12 587637944 HDRRBCQDHKFEMK-UHFFFAOYSA-N 343.766 4.363 0 1 EIAF COc1ccc2c(c1)[C@](C)(COc1ccc(F)cc1)N(C(C)C)CC2 962087164 FGFPNNVGDQOFNZ-NRFANRHFSA-N 343.442 4.395 0 1 EIAF CCCN[C@H](C)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801112 AXIJJULHNAAZAD-QGZVFWFLSA-N 327.468 4.247 0 1 EIAF COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)ccc1O 14760183 NNYAKQAKXHZMKI-HUUCEWRRSA-N 344.451 4.475 0 1 EIAF biogenic CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(C(N)=O)cc21 28571483 GIENPXSUZALJHK-SJCJKPOMSA-N 349.261 4.279 0 1 EIAF Cn1c(-c2cccc(Cl)c2)nc2c(NC3CCCC3)ncnc21 35875950 OVFDSJYMTIFUQO-UHFFFAOYSA-N 327.819 4.038 0 1 EIAF C[C@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1ccccc1 40564720 UMPAAIOXQXSUBJ-LBPRGKRZSA-N 345.431 4.100 0 1 EIAF COc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1F 40876362 XFDWJFPRZRHWPS-NTUHNPAUSA-N 336.334 4.328 0 1 EIAF CCCCC[C@@]1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F 64549484 YYAOOUIPSUQQTI-IBGZPJMESA-N 331.362 4.489 0 1 EIAF CCCCCOc1ccc([C@H]2COC(c3cc(CC)nn3C)=N2)cc1 103173703 BVXSEXBAZVYFHW-GOSISDBHSA-N 341.455 4.070 0 1 EIAF CC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(O)CC2)OC1=O 146231690 XEPJSHYYJZXMKE-PQUAAJSLSA-N 337.847 4.307 0 1 EIAF O=C(NCc1ccncc1)c1ccc(Oc2ccc(Cl)cc2)cc1 299856421 BVGRLIKCJLZVRK-UHFFFAOYSA-N 338.794 4.457 0 1 EIAF Cc1c(F)ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586996302 DHANXJURIMYEJM-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587006846 CFHPOGAUSZTINV-UHFFFAOYSA-N 347.090 4.484 0 1 EIAF N[C@H](c1ccsc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587025226 JRGCOTNDLPTBCH-SNVBAGLBSA-N 342.649 4.088 0 1 EIAF Cc1c(Cl)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042668 VNOMAROLCMJMES-JKSUJKDBSA-N 343.883 4.471 0 1 EIAF O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 587207517 MJERUOCEBJQSIP-BDJLRTHQSA-N 325.367 4.065 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(N)c1)O2 587388615 FGOUVLYFPLMORL-JOCHJYFZSA-N 344.414 4.068 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(C)(C)C)cc1O)[C@@H](C2)C3=O 587449163 HZPTZNOPKJHSGS-MGPUTAFESA-N 338.403 4.187 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(O)cc1F)CC2=O 587465009 DWUQRTHRSIGBRK-QGZVFWFLSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(F)cc1Cl)CC2=O 587472948 WXNWTXFBRPNPKS-HNNXBMFYSA-N 335.762 4.239 0 1 EIAF O=C1C[C@]2(CCc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587503108 WSFLGOFPAADIDO-FQEVSTJZSA-N 339.822 4.421 0 1 EIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1O 587526421 SRVGFPHYLWODDX-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF COc1cccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1O 587787523 KUVMQWCYAMPCJI-UHFFFAOYSA-N 347.212 4.323 0 1 EIAF COc1ccc(-c2nnc3ccc(-c4cccs4)cn23)cc1OC 653668884 PNJDSEFKRNDPCE-UHFFFAOYSA-N 337.404 4.142 0 1 EIAF Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@@H]32)c1 653869236 IAICKVWVHDWAKX-URVUXULASA-N 342.398 4.191 0 1 EIAF CO[C@@]1(C)C[C@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O1 1857636338 YQFRGWIKSKDUKH-FOIQADDNSA-N 340.350 4.209 0 1 EIAF COc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 61906950 BGLCWFLMGNNQMP-UHFFFAOYSA-N 345.761 4.130 0 3 EIAF CC(C)(C)NC(=O)c1csc([C@@H](O)c2ccc(C(C)(C)C)cc2)n1 206058157 XUIANZQAZBJQIN-HNNXBMFYSA-N 346.496 4.051 0 3 EIAF CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(C)(C)C)cc3)nn12 13475520 IOBZVVSBEAFOGH-UHFFFAOYSA-N 348.454 4.308 0 1 EIAF CCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1 27434785 DVSFGMHNQXYWMO-UHFFFAOYSA-N 333.439 4.259 0 1 EIAF O=c1c2ccccc2nc(-c2ccc(O)cc2)n1CCc1ccccc1 28344539 PLYOAZOKYYMFQB-UHFFFAOYSA-N 342.398 4.012 0 1 EIAF CN(C)CCCN1c2ccccc2C[C@@H](O)c2ccc(Cl)cc21 33944289 SATHMWNGUPSXIE-LJQANCHMSA-N 330.859 4.019 0 1 EIAF world CCCC(/C=C/C(=O)N1CCCCC1)=C\c1ccc2c(c1)OCO2 40394752 QOCUEYOFHDSFLM-ZQHUEGGHSA-N 327.424 4.168 0 1 EIAF Nc1ncnc2c1sc1nc3c(c(-c4ccco4)c12)CCCCC3 49067759 JVRQFNMKPQDNAA-UHFFFAOYSA-N 336.420 4.351 0 1 EIAF COCCNCc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1 95602542 WXGRTTWQCWROQJ-UHFFFAOYSA-N 340.250 4.308 0 1 EIAF CCCN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 95607131 WKBKHNRQLKVZQT-UHFFFAOYSA-N 348.874 4.119 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101060932 QVIXLSYROOSFHA-ACDBMABISA-N 342.433 4.269 0 1 EIAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@@H]1C 168468766 YZYKPCGSVJQAAW-CZUORRHYSA-N 347.418 4.381 0 1 EIAF COc1ccc(N2C(=O)C3(CCCC3)[C@H]2c2ccccc2OC)cc1 169324272 UALZPMHIFYQHGN-LJQANCHMSA-N 337.419 4.352 0 1 EIAF CCCC/C(=C\c1ccc(OCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 169340561 SRKLYOLWLMCNKM-JXMROGBWSA-N 348.182 4.265 0 1 EIAF COc1ccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)cc1OC 299829203 QQMMVSMHOCXJQZ-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF O=C1O[C@H](c2cccnc2)CC(O)=C1Sc1ccccc1Cl 299837948 PSKZDQZBRLTJHI-ZDUSSCGKSA-N 333.796 4.285 0 1 EIAF FC(F)(F)Oc1cc(Br)cc2nc(C3CCC3)[nH]c12 586885099 WUADZVYDVHIHDQ-UHFFFAOYSA-N 335.123 4.492 0 1 EIAF Cc1ccc2c(ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c32)n1 586908050 QDDVFNMSHRGDNR-GFCCVEGCSA-N 331.375 4.000 0 1 EIAF Fc1ccc(/C=C\c2nc3cncc(Br)c3[nH]2)c(F)c1 587151245 XVMZDQSDHGJCAL-RQOWECAXSA-N 336.139 4.169 0 1 EIAF Cc1c(Cl)ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174687 LQKOCEKDWLFEPI-CQSZACIVSA-N 342.805 4.388 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(C(F)(F)F)cccc31)O2 587382696 NVPMASRZYFSKLR-GOSISDBHSA-N 347.336 4.403 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3nc(C)cc3C)cc1)O2 587391221 LRFAUMTUVRNFFA-FQEVSTJZSA-N 347.418 4.086 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCCCC1)O2 587397969 CYTFNABQEBQZLE-HXUWFJFHSA-N 336.435 4.274 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@H]3CCCCO3)o1)O2 587407223 BCWMJLDFZWYJMX-QAPCUYQASA-N 327.380 4.118 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cccs3)s1)O2 587414688 UWGUEMPOBSRJMT-ZDUSSCGKSA-N 342.445 4.469 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1oc4ccc(F)cc4c1C)[C@@H](C2)C3=O 587429343 UIZWBXITRKKEAV-VBKZILBWSA-N 338.334 4.378 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H]1CCCCC1=O)CC2=O 587481549 MRUAYBIDXFGFAI-RBZFPXEDSA-N 330.424 4.218 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1sccc1NC(C)=O)CC2=O 587492333 CIMGWBBORYZWPX-INIZCTEOSA-N 345.420 4.071 0 1 EIAF CCn1ncc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500600 MIRGFWIOXAXHMP-INIZCTEOSA-N 330.815 4.142 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2ccsc12 587872788 QOZUAGQHCFSTDS-UHFFFAOYSA-N 340.383 4.082 0 1 EIAF COc1ccc(/C=C\Cc2nc3ccc4ncccc4c3[nH]2)c(OC)c1 587929347 NUZWWBMENHMLAB-HYXAFXHYSA-N 345.402 4.384 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587964000 XNDAYJGOFCOUSW-SFYZADRCSA-N 330.737 4.393 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1csc(Cl)c1 963049987 XOXDNSGRXNZANM-INIZCTEOSA-N 330.840 4.193 0 1 EIAF CC[C@@]1(c2c(F)cccc2F)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963630154 BZFWVASABXVVLY-FKIZINRSSA-N 347.405 4.170 0 1 EIAF O=S1(=O)C=Cc2ccc(Nc3cccc(C(F)(F)F)c3)cc21 1173825742 YJEOOVUAEVVVDK-UHFFFAOYSA-N 325.311 4.207 0 1 EIAF Nc1ccccc1NC(=O)/C=C/c1ccc(COc2ccccc2)cc1 1772584442 NCDQXKYKHXRVMT-CCEZHUSRSA-N 344.414 4.500 0 1 EIAF Fc1ccc(C[n+]2ccc3ccnc4c3c2-c2ccccc2-4)c(F)c1 1772606215 UVYQAVWOQJJXPU-UHFFFAOYSA-N 331.345 4.496 0 1 EIAF Cc1ccc(C[C@]2(C)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 61908183 ZOWRRHAYRCEQCD-KRWDZBQOSA-N 335.325 4.346 0 3 EIAF CN(C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1)C1CCCCC1 429568 VSJSPRMWFSYQMX-UHFFFAOYSA-N 340.448 4.148 0 1 EIAF CCOc1cccc(-c2cc(Cl)cc3c2N2CCNCC[C@H]2C3)c1 13535471 JMEVPTRTECFJNZ-KRWDZBQOSA-N 342.870 4.130 0 1 EIAF CCCCCCN(CCCCCC)C(=O)[C@H](CC)N1CCCC1=O 13559006 BYUOYWSADDYYMQ-SFHVURJKSA-N 338.536 4.377 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 14452929 UVGNAGKHBDTENQ-BSJZOIDXSA-N 330.424 4.257 0 1 EIAF C[C@H]1CC(=O)c2c(coc2-c2c(O)ccc3c2OC(C)(C)C=C3)[C@@H]1O 14587369 SRUGXOLNOMJETJ-DYZYQPBXSA-N 340.375 4.092 0 1 EIAF biogenic O=C(c1cc2ccc3cccnc3c2[nH]1)N1CC[C@@H](c2ccccc2)C1 20575507 YZVJHHWBICCHLE-GOSISDBHSA-N 341.414 4.346 0 1 EIAF Oc1noc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1 28635053 WGALJYRAUSZYPN-UHFFFAOYSA-N 336.391 4.307 0 1 EIAF CCO[C@H](c1ccc(N(C)C)cc1)c1ccc(C(C)C)cc(=O)c1O 29469402 WRGMNDQXKDCQNU-OAQYLSRUSA-N 341.451 4.068 0 1 EIAF Clc1ccc(C[C@H](c2ccccc2)N2CCNCC2)c(Cl)c1 36093335 FABMPYBEKUUBIW-GOSISDBHSA-N 335.278 4.182 0 1 EIAF CCCCC[C@H]1O[C@H]1/C=C/[C@H](O)C/C=C\C/C=C\CCCC(=O)O 40164455 WLMZMBKVRPUYIG-QTFKXGBXSA-N 336.472 4.399 0 1 EIAF in-man O=C(O)[C@H]1CCCN(CC[C@H]2CC2(c2ccccc2)c2ccccc2)C1 40492297 IWMITAPIVPWQBA-RXVVDRJESA-N 349.474 4.179 0 1 EIAF C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2 95910372 SUHBSVHVWQDUEA-CVYSASLGSA-N 328.408 4.179 0 1 EIAF biogenic,in-vitro Nc1cc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)ccc1Cl 96169332 LMVIQGMXPNRWGP-APWZRJJASA-N 340.854 4.257 0 1 EIAF COC(=O)c1cc2c3cc(NCc4ccccc4)ccc3nc-2c[nH]1 100652870 PQAZYCAWLLSXHO-UHFFFAOYSA-N 331.375 4.066 0 1 EIAF COc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1F 587079595 DWXQOIZCRWVIAL-UHFFFAOYSA-N 329.762 4.367 0 1 EIAF Oc1nccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587082696 BVDXHVUKQYJKBH-UHFFFAOYSA-N 331.162 4.186 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CCO)cc2[nH]1 587114202 QXEBWQHOQPKSHM-GFCCVEGCSA-N 348.368 4.463 0 1 EIAF Cc1ccc(/C=C\c2nc3cncc(Br)c3[nH]2)cc1F 587146807 XHTJSWGYXHKSGA-PLNGDYQASA-N 332.176 4.338 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccnc3)cc1)O2 587394115 COTRSORMABEXJC-FQEVSTJZSA-N 346.386 4.471 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)noc1-c1ccccc1)O2 587394374 FWDRRTXUXGLBHX-KRWDZBQOSA-N 334.375 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426252 BSCAZPHHVZUUAX-PZTGFMGMSA-N 338.378 4.144 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(F)cc1Cl)CC2=O 587470710 GZNUJUAKDYTBQE-GOSISDBHSA-N 349.789 4.413 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3cc(OC)ncc3[nH]2)cc1 587565476 JFCZTBMJVSGLDR-UHFFFAOYSA-N 325.412 4.233 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2F)N1 587730730 XVSHIQIVESYVOZ-XXFAHNHDSA-N 338.195 4.351 0 1 EIAF COC(=O)Cc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587783232 JFLKOBMLFBRODM-UHFFFAOYSA-N 335.190 4.252 0 1 EIAF Cc1cc(C)cc(-c2cc(NC(=O)c3ccccc3O)cnc2O)c1 1857746384 OWUMOOGOPCMDBH-UHFFFAOYSA-N 334.375 4.029 0 1 EIAF Cc1c(O)cc2c3c1[C@H](C)[C@H](C)O[C@@H]3C[C@@H](c1ccc(O)cc1)O2 2356718660 BXIIDDHHSRQLLO-MNYDMIQKSA-N 326.392 4.493 0 1 EIAF O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)C1 58091376 VJJJOTCDMNBTME-UHFFFAOYSA-N 329.831 4.037 0 3 EIAF CCc1ccc(Nc2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 5502402 UWMYWYLHHZMIDO-UHFFFAOYSA-N 337.448 4.368 0 1 EIAF CCC(=O)O[C@@H](C)c1cccc2oc(=O)c(CC=C(C)C)c(O)c12 14592187 APXCFVYSCAPQIB-LBPRGKRZSA-N 330.380 4.022 0 1 EIAF biogenic C[C@]12CC[C@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1OCC2=O 26988924 COHCBZXNSQMOML-YUVXSKOASA-N 340.463 4.422 0 1 EIAF Clc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1 45227974 TXHWKCZYAUNJQT-UHFFFAOYSA-N 335.798 4.057 0 1 EIAF C[C@H](NC(=O)c1ccccc1-c1cccc(Cl)c1)C1CCNCC1 49034454 OMSWDVKFMOIECZ-AWEZNQCLSA-N 342.870 4.125 0 1 EIAF CCCn1ccc2cc(-c3cnc(OC)c(F)c3)cc(Cl)c2c1=O 66066157 QPEGUWNBLFWXSU-UHFFFAOYSA-N 346.789 4.275 0 1 EIAF C=CC1=C(C(=O)Nc2ccccc2OC)[C@H](c2ccc(F)cc2)OC1 73223797 DYRWOULEJXMVHG-IBGZPJMESA-N 339.366 4.027 0 1 EIAF C[C@H](Nc1nc(NCc2ccccc2)c2nc[nH]c2n1)c1ccccc1 87722021 NXXJDMWQIZZUGA-AWEZNQCLSA-N 344.422 4.138 0 1 EIAF COc1ccc([C@H](O)C(F)(F)C(=O)c2ccc3ccccc3c2)cc1 95581607 KLEHMYNPHDRQQT-SFHVURJKSA-N 342.341 4.400 0 1 EIAF CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)[S@](C)=O 196753992 SRFGUIZCVKITPM-MFEFFIJZSA-N 348.549 4.270 0 1 EIAF COc1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 221112977 IIAPYKFNPGGPPX-KRWDZBQOSA-N 339.416 4.425 0 1 EIAF C[C@H](Nc1nc(Cl)cc(N2C(=O)OCC2(C)C)n1)c1ccccc1 222595799 ZKQCGINWBDPEOF-NSHDSACASA-N 346.818 4.038 0 1 EIAF Cc1cccc(-c2cc(C)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1 299830199 XDLVZSDVANYKBS-WKILWMFISA-N 339.439 4.063 0 1 EIAF Cc1c(F)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005597 MGKFOSXDDDMSJA-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)cc2C1 587033862 OAWXOVLCYODLAP-LLVKDONJSA-N 339.464 4.118 0 1 EIAF C[C@@H](c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1C(F)(F)F 587098161 RYNWLHVRGDLNGQ-SSDOTTSWSA-N 326.709 4.129 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)C12CCC2 587489132 MQKMDLQOTRCDFQ-XLIONFOSSA-N 330.424 4.028 0 1 EIAF COc1ccc2[nH]c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 587524188 KPGXLCWIDQJKMW-IBGZPJMESA-N 348.402 4.157 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3ccc(CCO)cc3[nH]2)cc1 587564242 GXDFWZHQEYSESI-UHFFFAOYSA-N 338.451 4.364 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCC(C)(C)O2)N1 587831626 IHXSNIFHOLXPID-TURNYIBQSA-N 342.252 4.121 0 1 EIAF C[C@H](O)CCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587834519 SBNHGKTZHXJYPE-MMPTUQATSA-N 344.268 4.105 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3[nH]cc(C=O)c3c2)N1 962950643 OBKMDIVEIUWYFT-QVKFZJNVSA-N 343.430 4.475 0 1 EIAF Cc1cc([C@@]2(CCC(=O)O)NCCc3c2sc(C)c3C)c(C)s1 963034037 XBCPFGXIRPFOHA-GOSISDBHSA-N 349.521 4.297 0 1 EIAF c1ccc([C@H](OCCc2cnc[nH]2)c2nc3ccccc3s2)cc1 1772574489 PZRKTILCIYJGGD-SFHVURJKSA-N 335.432 4.368 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](c1cccc(F)c1)C(=O)N2 1857746666 XNIIZHREFFTGHX-SFHVURJKSA-N 338.338 4.170 0 1 EIAF CCOC(=O)c1[nH]cc(Cc2ccc(C(F)(F)F)cc2F)c1C 1911577585 ZCEGSZZRXYRKDV-UHFFFAOYSA-N 329.293 4.249 0 1 EIAF COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(Cl)c1 422945 YZYPHRPABBTRSE-KDOFPFPSSA-N 344.798 4.118 0 1 EIAF Cn1cc(CN2CCCO2)c(-c2ccc(Oc3ccccc3)cc2)n1 12056620 VGCMXBBKIYXISK-UHFFFAOYSA-N 335.407 4.017 0 1 EIAF CC(C)CSC[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890351 WTWGTPSCRLAKHR-HNNXBMFYSA-N 347.311 4.477 0 1 EIAF CCOC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1 39330305 YVMQUVFVYIFGLY-UHFFFAOYSA-N 348.446 4.234 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1C1[C@@H](F)C[C@H]1F 40423811 DYKGTVVHHZGYQR-CEWYYZTQSA-N 338.206 4.016 0 1 EIAF CC(C)(C)c1cccc(-n2c(-c3cccnc3N)nc3cccnc32)c1 95575704 XBELLRYPERHLCM-UHFFFAOYSA-N 343.434 4.362 0 1 EIAF CC(C)Sc1nnc(COCc2ccccc2)n1-c1ccccc1 95593790 LIFYWZFKJQIFSE-UHFFFAOYSA-N 339.464 4.485 0 1 EIAF Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)c2C)n1 95603273 GQXARJIERBZYNS-UHFFFAOYSA-N 340.814 4.098 0 1 EIAF O=C([C@H]1CCCc2c1c1ccccc1n2CC[18F])N1CCCCCC1 102896193 RFWUQGQUOTWOHA-QWEHHPNSSA-N 341.461 4.433 0 1 EIAF C[C@@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Cl)cc1 117722758 FRQMBTAFOBCSRS-CZUORRHYSA-N 328.843 4.159 0 1 EIAF Cc1ccnc(SCC(=O)N2CCCc3cccc(C)c32)c1C 138906819 FUXSUQKKSUVLPV-UHFFFAOYSA-N 326.465 4.078 0 1 EIAF Cc1c(Sc2cccc3ccccc23)sc2nc(=N)[nH]c(N)c12 584905189 DSWPJTXRDPNDRO-UHFFFAOYSA-N 338.461 4.299 0 1 EIAF in-vitro CC[C@@H]1OCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586911917 MZEBNOJWXPAIAP-APWZRJJASA-N 334.419 4.467 0 1 EIAF Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1F 586996654 IRGCNOZBKHSELF-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF Clc1cnc2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005021 JJKFGEOLCSUKIZ-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1 587146484 NJEFEIXDCUVGMI-CLFYSBASSA-N 338.382 4.286 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(C[C@@H]1CCCCC1=O)CC2=O 587481551 MRUAYBIDXFGFAI-RNODOKPDSA-N 330.424 4.218 0 1 EIAF O=C1C[C@@H](c2ccnn2-c2ccccc2)Oc2c1ccc1c2CCCC1 587517843 WDCHMOWMJVBOHP-NRFANRHFSA-N 344.414 4.458 0 1 EIAF CC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704719 JPKFTBVQMJFOGY-KRTXAFLBSA-N 340.158 4.290 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587826593 FIEOCBDTAMQTOB-JDNHERCYSA-N 338.220 4.287 0 1 EIAF CCOC(=O)c1cc(Br)c2[nH]c(C=C3CCC3)nc2c1 587965877 ZLBWWVRWGBBPJX-UHFFFAOYSA-N 335.201 4.069 0 1 EIAF Nc1n[nH]c2c1c(Nc1ccc(C(F)(F)F)cc1)nc1ccccc12 1772609496 PCZMEWLPWZGLNR-UHFFFAOYSA-N 343.312 4.456 0 1 EIAF Cc1ccc([S@@](=O)(=NSC(F)(F)F)N2CCCCC2)cc1 1857571563 KOIHCVZVMAGDMR-OAQYLSRUSA-N 338.420 4.391 0 1 EIAF O=C(c1ccc(-c2ccc(F)cc2F)o1)N1CCc2ccccc2C1 1857644561 POVUZAOUAQHAAL-UHFFFAOYSA-N 339.341 4.423 0 1 EIAF C[C@@](O)(c1cccnc1)c1nc(-c2cccc3cccnc23)cs1 61908893 BPODHAVRDLRIDR-LJQANCHMSA-N 333.416 4.009 0 3 EIAF Fc1ccc(F)c(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c1 3948884 ZYQDWWHVGBPWCI-UHFFFAOYSA-N 338.317 4.207 0 1 EIAF CN(C)c1ccc(-c2cc(C3CCCCC3)c3c(N)ncnc3n2)cc1 4617739 FREATKYCQZWUMJ-UHFFFAOYSA-N 347.466 4.388 0 1 EIAF O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCCC1 13835431 RTUNPZNLBHLEDM-UHFFFAOYSA-N 334.423 4.430 0 1 EIAF CCCC(=O)NCCc1c[nH]c2c(-c3ccccc3)cc(OC)cc12 28815179 FSHZXXWZGMKZSU-UHFFFAOYSA-N 336.435 4.302 0 1 EIAF C[C@]12CC[C@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@@H]1OCC2=O 40698229 COHCBZXNSQMOML-BLKABHOGSA-N 340.463 4.422 0 1 EIAF COc1cc(C(=O)c2oc3cc(F)ccc3c2C)cc(OC)c1OC 45393020 VJORNENUSXVVTA-UHFFFAOYSA-N 344.338 4.137 0 1 EIAF CC[C@@H](C)c1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 64573706 VWGHOUBTMCEFCM-LLVKDONJSA-N 329.783 4.111 0 1 EIAF C=CC1=C(C(=O)Nc2ccccc2OC)[C@@H](c2ccc(F)cc2)OC1 73223795 DYRWOULEJXMVHG-LJQANCHMSA-N 339.366 4.027 0 1 EIAF Cc1ccccc1Nc1nnc([C@H](O)c2cccc(Cl)c2)s1 82078057 MIZNPFSKACTMJJ-CQSZACIVSA-N 331.828 4.325 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 100780663 YQNLDLVKFNZFTI-HVUBVPMHSA-N 332.440 4.105 0 1 EIAF endogenous,in-man O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccncc1 116814380 XSLDNIVHKPCLEH-UHFFFAOYSA-N 344.418 4.274 0 1 EIAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(Cl)c3)oc2c1 169161682 OZRZNPPSBGSEBC-JTQLQIEISA-N 339.782 4.008 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 257525715 QSXNOUPYXMWUKT-SKDHRVBBSA-N 332.440 4.108 0 1 EIAF endogenous,in-man c1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1CN1CCOCC1 586882863 CFSHMGPZWRVCJK-UHFFFAOYSA-N 347.462 4.330 0 1 EIAF Cc1cc(Br)cc2nc([C@H](C)Sc3ncccn3)[nH]c12 586961123 FULWZUPYLSAXFY-VIFPVBQESA-N 349.257 4.277 0 1 EIAF Nc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1F 587139345 HCWYHBJLLSOOJA-UHFFFAOYSA-N 331.350 4.182 0 1 EIAF COc1cccc(Cl)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376882 USTSQALXCOIYMI-SFHVURJKSA-N 331.799 4.120 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1n(C)c1ccccc31)O2 587389881 KQSQYNJLNXXWAF-QFIPXVFZSA-N 346.430 4.266 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3CCCCC3)c1)O2 587397957 CWNZEANNOPFTAG-HXUWFJFHSA-N 336.435 4.274 0 1 EIAF CCC[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587404393 XMEXCCHPNPFLBZ-HXUWFJFHSA-N 325.408 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@@H]1c1ccccc1C)[C@@H](C2)C3=O 587446475 XNGWSBGUQSVRFM-QSNWEANLSA-N 334.415 4.313 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1n[nH]c3ccccc13)CC2=O 587480653 FMTUYNMZAMDRPY-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF C[C@@]1(c2ccc(F)c(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506043 OAMUVSSAOJZZSY-FQEVSTJZSA-N 325.383 4.167 0 1 EIAF Cc1cccc(C)c1C(=O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520598 AMVLUCRIZOKFCI-IBGZPJMESA-N 334.415 4.399 0 1 EIAF C[C@@]1(CCCCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587530406 UJQXCTATIDZQTI-HXUWFJFHSA-N 330.424 4.324 0 1 EIAF COc1cccc(CCc2nc3cc(C)c(Br)cc3[nH]2)c1 587930029 CJTZMRTUWUIGAR-UHFFFAOYSA-N 345.240 4.428 0 1 EIAF CCn1c(C)cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1C 962625631 FJIQVQVAJSMPFG-XCLFUZPHSA-N 342.483 4.108 0 1 EIAF COc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1 1857610527 ZIRUMFOISHAJDS-JPYJTQIMSA-N 343.473 4.190 0 1 EIAF Cc1cccc(NC(=O)CCC2CCN(Cc3nccs3)CC2)c1 12713995 YNSANNCBLXYNHW-UHFFFAOYSA-N 343.496 4.082 0 3 EIAF COc1ccccc1-c1csc([C@@H](NC(C)=O)c2ccccc2)n1 61904442 PHYSBBJGBITJHV-SFHVURJKSA-N 338.432 4.044 0 3 EIAF COCCCNc1ccn2nc(-c3ccc(CC(C)C)cc3)cc2n1 61925642 OCWCLRRKXOLXST-UHFFFAOYSA-N 338.455 4.043 0 3 EIAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccsc3)nnc1-2 21911 AJOWVHDRHWCPEK-UHFFFAOYSA-N 339.468 4.104 0 1 EIAF COc1ccccc1Nc1ncc(C(=O)N2CCCC2)c2ccccc12 213746 GDORNIDCLNYSRJ-UHFFFAOYSA-N 347.418 4.223 0 1 EIAF O=C(Nc1ccccc1)Nc1nc(-c2cccnc2)nc2ccccc12 13808616 GDOLLVJHBJTNPM-UHFFFAOYSA-N 341.374 4.336 0 1 EIAF in-vivo Cc1cccc2c1Oc1ccccc1[C@H]2SCCN1CCOCC1 25970366 BQPIPEJIURCYDO-HXUWFJFHSA-N 341.476 4.256 0 1 EIAF COc1cccc2c1N[C@@H]1[C@H]2CCN[C@@H]1Cc1cccc2ccccc12 26662136 MDJXRHFEZCHQBQ-TUNNFDKTSA-N 344.458 4.331 0 1 EIAF CC(C)(C(=O)O)[C@@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 95560171 KKRDUARDBIREMO-GOSISDBHSA-N 335.407 4.327 0 1 EIAF COc1cc(OC)c2c(-n3ccnc3)cc(-c3ccccc3)nc2c1 98085123 TZSRESUMYOIXEO-UHFFFAOYSA-N 331.375 4.105 0 1 EIAF O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(C3CC3)cc2N1 101147197 IBIFNZSPTIKEKM-UHFFFAOYSA-N 342.402 4.213 0 1 EIAF CC[C@]1(C(=O)NCCc2ccccc2Cl)[C@@H](C)C1(Cl)Cl 103296547 YRMDRJSPJRDRIM-QMTHXVAHSA-N 334.674 4.219 0 1 EIAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)C3)O1 144639072 LGIYTEOWZRHAKN-CYBMUJFWSA-N 336.387 4.195 0 1 EIAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 194851402 FGXZPRXFLNGHFB-NMIHRBCNSA-N 349.474 4.475 0 1 EIAF OC1(c2ccc(Cl)cc2)CCN(CCCc2ccc(F)cc2)CC1 231376340 AWJUFRDAWDELNC-UHFFFAOYSA-N 347.861 4.395 0 1 EIAF Cc1ccc(OC(=O)[C@@H]2[C@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 253639373 FGXZPRXFLNGHFB-FVTFTPSCSA-N 349.474 4.475 0 1 EIAF O=c1c2c(oc3ccc(Cl)cc13)-c1ccccc1OCCCO2 299871879 ZIVDNBKQYLEMMP-UHFFFAOYSA-N 328.751 4.275 0 1 EIAF Fc1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 586882876 CNMRDYJXKRIPRG-LKWXMQFFSA-N 336.414 4.356 0 1 EIAF Cc1nc(Br)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 587012503 YNEJOJGOJUUGHX-UHFFFAOYSA-N 343.637 4.114 0 1 EIAF FC(F)(F)Oc1cccc2nc(-c3csc4c3CCOC4)[nH]c12 587032093 PDVWFIIIOOJWHY-UHFFFAOYSA-N 340.326 4.263 0 1 EIAF O[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl 587060028 YPHRSMUOCVYIME-ZDUSSCGKSA-N 329.133 4.230 0 1 EIAF O=C(O)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1F 587073012 CIHPEEAXGUXBPZ-UHFFFAOYSA-N 344.773 4.328 0 1 EIAF Cc1ccnc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc12 587162870 FPASTMSFXVQIBW-UHFFFAOYSA-N 346.365 4.325 0 1 EIAF Nc1c(-c2nc3cnc4ccccc4c3[nH]2)cnc2c(F)cccc12 587175952 DANXKNFOOJFNDE-UHFFFAOYSA-N 329.338 4.048 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Cl)cc1Cl)O2 587380322 SQVDVBKVCHVHGY-MRXNPFEDSA-N 337.206 4.160 0 1 EIAF CC(=O)c1c(C)cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587404338 DTEWOAGYVJNYRZ-GOSISDBHSA-N 337.419 4.412 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(F)c1OC)CC2=O 587466134 LYBDBDKTYKEGAO-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C=O)s1)CC2=O 587494610 MPMNEECQYOFRMV-SFHVURJKSA-N 330.405 4.099 0 1 EIAF Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587920 QRFAOEUJWAEXJK-GHTZIAJQSA-N 347.370 4.107 0 1 EIAF CS[C@H](C)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587842644 VHMVMGPGBHSFIB-KBVBSXBZSA-N 332.282 4.305 0 1 EIAF CCc1ccc(C(=O)CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587956386 ZGJMVLQRWUHBNK-UHFFFAOYSA-N 332.325 4.358 0 1 EIAF COC(=O)c1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cn1 587961150 JVWKFQVRDHCUPL-UHFFFAOYSA-N 343.386 4.002 0 1 EIAF Cc1cc(OC(F)(F)F)cc([C@]2(C)NCCc3c(C)ccnc32)c1 963066253 GDLOQWJMKMDIGW-KRWDZBQOSA-N 336.357 4.006 0 1 EIAF CCCc1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)s1 963607768 KDVGEIHXSWRNLK-CWTRNNRKSA-N 331.481 4.341 0 1 EIAF CC1(C)CCc2c([C@@H]3CCc4ccc(O)cc4O3)ccc(O)c2O1 1772589273 CYDTZRVKINKYIO-KRWDZBQOSA-N 326.392 4.268 0 1 EIAF CN1C[C@@H](CC(=O)c2ccccc2)CC[C@H]1CC(=O)c1ccccc1 2356378803 AHSYGTGCCMEKRI-XLIONFOSSA-N 335.447 4.243 0 1 EIAF CCS(=O)(=O)c1ccc2oc(Nc3ccccc3Cl)nc2c1 6784586 NXVPKVZFHONGSO-UHFFFAOYSA-N 336.800 4.018 0 3 EIAF CCC(CC)OC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 13740251 SSMWNQCHCRSYNE-NBYUQASBSA-N 329.484 4.293 0 1 EIAF O=C(O)c1c(O)c(Cc2ccccc2)nc2c3c(ccc12)CCCC3 35087205 HYAFJLPIAGSFTH-UHFFFAOYSA-N 333.387 4.108 0 1 EIAF CC(=O)Nc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 40393530 DBYNBHJHZSMQDL-UHFFFAOYSA-N 347.201 4.460 0 1 EIAF COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45254602 ANOMNNUJQGKDNX-UHFFFAOYSA-N 327.424 4.069 0 1 EIAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)c1ccccc1 71340421 SIXPGAYGILPSJO-NRFANRHFSA-N 349.817 4.123 0 1 EIAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(CC3CC3)nc2n1 73294739 OLBJKCOZDXKROS-UHFFFAOYSA-N 347.344 4.148 0 1 EIAF CCCCC/C=C\C[C@@H](O)/C=C/C=C/CC[C@H](O)CCCC(=O)O 85589178 ZMZNVSWCIRFLBV-GRXSAWGRSA-N 338.488 4.382 0 1 EIAF endogenous,in-man CC1=C2CC/C(C(=O)O)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1 141202233 MRNXBWBKOQQJNE-YVZFFLCCSA-N 332.440 4.171 0 1 EIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(F)cc1 166975769 SFOMOYPGSZRQKX-INIZCTEOSA-N 343.398 4.097 0 1 EIAF CC1(C)CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 210751163 ZIIYDYQRAOEXTB-UHFFFAOYSA-N 331.423 4.123 0 1 EIAF CCCCCCN1C(=O)C=C(Cl)[C@@]1(O)c1ccc(Cl)cc1 224797401 CMQFCGJPWXRANA-INIZCTEOSA-N 328.239 4.030 0 1 EIAF Clc1cccc(-c2cc(-c3nc4c(Cl)cncc4[nH]3)n[nH]2)c1 587067987 FJRCTWDCDGHSKR-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF CCCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587484741 UZAJKBSBSNMRNT-HXUWFJFHSA-N 348.439 4.192 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCC3(CCCO3)CC1)CC2=O 587485799 JZGHNEYPDKWEIH-UHFFFAOYSA-N 330.424 4.172 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ncccc1C)CC2=O 587489683 VOUXSNRFDOVCQN-FQEVSTJZSA-N 325.408 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3c(s1)CCC3)CC2=O 587494122 IKKINZNYCRLUTP-LJQANCHMSA-N 343.448 4.171 0 1 EIAF O=C1C[C@]2(CCc3cc(O)ccc3C2)Oc2c1ccc1c2CCCC1 587531841 ICPPYCYDNSHPSK-JOCHJYFZSA-N 334.415 4.164 0 1 EIAF Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611745 TXTKTGSAAKCWMV-GHTZIAJQSA-N 348.354 4.109 0 1 EIAF CC(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621965 RHTNOTAWOKZPPX-UHFFFAOYSA-N 346.106 4.028 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4cc(OC)ncc4[nH]3)c2)c1 587933470 PELVOTMSUVWEQV-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF COc1ccc2c(c1)[C@](C)(COc1ccc(F)c(F)c1)N[C@@H]1CC[C@@H]21 962997681 RYDZIYFHGKGPTN-BEVDRBHNSA-N 345.389 4.117 0 1 EIAF CC(=O)Nc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 1857618580 CGVUGLIMTKOJBD-UHFFFAOYSA-N 334.404 4.083 0 1 EIAF Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC(=O)N2 212184 ZVDYLMQNXIJBDT-NRFANRHFSA-N 348.446 4.055 0 1 EIAF C/C(=C\Cc1cc(O)ccc1O)CCc1c(C)cc(O)c(C=O)c1C 1633254 BCYBPYQVUROVFP-YIXHJXPBSA-N 340.419 4.354 0 1 EIAF O=C1c2ccccc2[C@]2(c3cc(Cl)cc(Cl)c3)SCCN12 6583030 HTXYQLNSTXZJNK-INIZCTEOSA-N 336.243 4.397 0 1 EIAF CC1(C)[C@H]2C[C@@](C)(Cl)[C@@H](Sc3nnnn3-c3ccccc3)C[C@H]21 17220791 OQEQNRBNOUUEML-XJIUQZFPSA-N 348.903 4.187 0 1 EIAF N=C(Cc1c(Cl)cccc1Cl)NC(=S)Nc1ccccc1 26295329 YXPOTHXWJYTPRA-UHFFFAOYSA-N 338.263 4.500 0 1 EIAF CCCC[C@@H]1[C@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC 28005359 YSENRDPXKUGFHX-RKVPGOIHSA-N 341.448 4.119 0 1 EIAF CCCN(CC1CC1)c1nc(C)nc(C(=O)c2ccccc2C)c1C 28361090 PCIKULJPPHPCLY-UHFFFAOYSA-N 337.467 4.259 0 1 EIAF CCCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 29464421 FQBYYGDIAZGNSO-UHFFFAOYSA-N 339.844 4.189 0 1 EIAF CCOc1ccccc1-c1nc(CN2CCc3ccccc3C2)co1 72101610 LQFBEDZEAWAVOB-UHFFFAOYSA-N 334.419 4.299 0 1 EIAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)c(-c2ccc(O)cc2)c1 72107540 BDIATJTVVGGVGF-GUYCJALGSA-N 338.403 4.159 0 1 EIAF Cc1cccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)c1 72182440 RPRCJMZNYUQBKF-FQEVSTJZSA-N 347.462 4.014 0 1 EIAF CC(C)N(C)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 84689123 DHLRJGWCRHOXOD-UHFFFAOYSA-N 339.826 4.431 0 1 EIAF Cc1ccc(Nc2snc(O)c2C(=N)NCC2CCCCC2)cc1 101055562 XCHZBRIOTVCSEE-UHFFFAOYSA-N 344.484 4.396 0 1 EIAF CO[C@@H](C1=NOCC1)c1ccccc1COc1cc(C)ccc1C 103171636 HLMKARMMWXGVJG-HXUWFJFHSA-N 325.408 4.346 0 1 EIAF Fc1ccc(NCCCn2c3c(c4cc(F)ccc42)CNCC3)cc1 169350507 DWYMEWMTVXRTGJ-UHFFFAOYSA-N 341.405 4.067 0 1 EIAF COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@H]2CC[C@@H]1C3 238739924 DZNQMARSUVZEMD-CRBQNXBKSA-N 334.500 4.181 0 1 EIAF Cc1ccc([C@@H]2C[C@H](O)Cc3cc(OC(F)(F)F)ccc3N2)s1 299833601 YWTPAOZXPXRRDT-RISCZKNCSA-N 343.370 4.415 0 1 EIAF O=C(Nc1ccc(C(F)(F)F)cc1F)c1cc(Cl)ccc1O 473089886 MOEQNAAPWWDQBU-UHFFFAOYSA-N 333.668 4.456 0 1 EIAF Cc1ccc2ccccc2c1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586884239 RMXMMCIGVQZXGK-UHFFFAOYSA-N 336.416 4.095 0 1 EIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(F)cc2[nH]1 587043731 UMDWNUMXJFOHEH-AWEZNQCLSA-N 347.802 4.011 0 1 EIAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587110039 QUGAGBJJHPXEJF-UHFFFAOYSA-N 338.260 4.174 0 1 EIAF Cc1ccnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 587163345 OWIBSQBJUIXXAE-UHFFFAOYSA-N 331.350 4.303 0 1 EIAF Cc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Cl 587174144 FFNIFGZEOGREIX-CQSZACIVSA-N 342.805 4.388 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587424473 ZWKWIRLFSNGMKS-JXFKEZNVSA-N 342.822 4.488 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1Cc1ccccc1C(F)(F)F 587651364 IECKKBYRAAUODO-UHFFFAOYSA-N 338.716 4.117 0 1 EIAF Cc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774734 XFKXVTZBBBYEOZ-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCSC2)N1 587854036 BBNRFYDOYACBEZ-VPJDZLOFSA-N 344.293 4.307 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)cnc3[nH]2)cc1 587937909 RFWQYBYZLSRASC-IBGZPJMESA-N 329.403 4.455 0 1 EIAF CCCC[C@]1([C@H](C)C(=O)OC)c2ccc(F)cc2C[C@H]2CCCN21 963091757 ACNHKJZYMXNDAE-ZTQAJYAQSA-N 333.447 4.041 0 1 EIAF Nc1cc2c(cc1Cl)CC[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963094103 BKSNRELSPNDFJY-XOBRGWDASA-N 342.845 4.272 0 1 EIAF CCOC(=O)C[C@@]1(CC(C)(C)C)c2c(F)cccc2C[C@@H]2CCCN21 963106192 QYILSJUPRMKWCI-HRAATJIYSA-N 347.474 4.431 0 1 EIAF Cn1ccc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1C(F)F 963110545 QORMGFKHRLSJNB-DJJJIMSYSA-N 334.385 4.386 0 1 EIAF Cc1cccc(C)c1-n1ccc([C@H]2NCCc3c(C(=O)O)cccc32)c1 963131081 MFKRYBOOIQHXAB-HXUWFJFHSA-N 346.430 4.027 0 1 EIAF CCc1ccccc1N1C(=O)c2cc3cccc(OC)c3cc2C1=O 1857597456 XYDPBMFSRNEGBI-UHFFFAOYSA-N 331.371 4.211 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C)[C@]12C 2356645588 WPNXICJHRZQRMC-SJFSSXKUSA-N 332.440 4.252 0 1 EIAF O=C1[C@H]2CCCN2[C@@H](c2ccc(F)c(F)c2)N1c1cccc(Cl)c1 58047079 DASPTHKYVBHSGO-IAGOWNOFSA-N 348.780 4.128 0 3 EIAF CCC(C(=O)Nc1ccccc1OC)(C(F)(F)F)C(F)(F)F 3124606 QFXSTAYTBYTGBZ-UHFFFAOYSA-N 329.240 4.155 0 1 EIAF biogenic COc1cccc(Cc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1 6908365 IRCNPZRWVUYCPN-UHFFFAOYSA-N 342.398 4.393 0 1 EIAF O=C(O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553312 VREZMJDAPPMITK-UHFFFAOYSA-N 326.392 4.337 0 1 EIAF in-vivo CCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C 13672323 NJVVWEKRJFKPOP-UHFFFAOYSA-N 341.407 4.109 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2(C)CC2)s1 14952091 VKOHZOLVHNAVRH-UHFFFAOYSA-N 349.843 4.096 0 1 EIAF CN(c1ccc2nc(N)nc(N)c2c1)c1c(Cl)ccc2ccccc12 28016110 IZJWAWRFISQKSB-UHFFFAOYSA-N 349.825 4.369 0 1 EIAF CC(=O)N1Cc2cc(Br)ccc2CCc2ccccc21 28572287 IWZPMVGKGUWIMO-UHFFFAOYSA-N 330.225 4.101 0 1 EIAF C[C@H]1CC[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 28816452 YXBCRJFFPSUINZ-XEZPLFJOSA-N 327.877 4.072 0 1 EIAF Cc1ccccc1CN1CCC(CCCC(=O)c2ncco2)CC1 29126730 TWBHBSWMKLDWHD-UHFFFAOYSA-N 326.440 4.248 0 1 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1C1[C@@H](F)C[C@@H]1F 40423814 DYKGTVVHHZGYQR-RVBZMBCESA-N 338.206 4.016 0 1 EIAF OCc1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1 66167355 BHDGQUVMEWPKHJ-UHFFFAOYSA-N 337.404 4.056 0 1 EIAF Cc1oc(-c2cccs2)nc1CSc1nc2cc[nH]cc-2n1 103587905 PZDUMDPVGAVUEV-UHFFFAOYSA-N 328.422 4.227 0 1 EIAF C[C@@H](N=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 169718385 DBRLGDLEHDMLHK-LLVKDONJSA-N 337.354 4.018 0 1 EIAF CC1(C)CCC[C@@]2(C)[C@H]1C[C@H]1O[C@@]1(C)[C@]21CC[C@@](C)(CC(=O)O)O1 238769277 CMOXPNCOCAKUIY-FFUZVNMOSA-N 336.472 4.163 0 1 EIAF CCCNc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1O2 473090681 OWSAJFVYRYUNEE-OAQYLSRUSA-N 347.418 4.079 0 1 EIAF CCc1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1CC 586878354 FLKUSPPMCRHNCL-UHFFFAOYSA-N 348.494 4.107 0 1 EIAF C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)s1 587022660 ULDPBKXQPGZLMO-YFKPBYRVSA-N 347.749 4.412 0 1 EIAF COc1cc(-c2nc3cc(F)cnc3[nH]2)cc(Cl)c1OCC(C)C 587046563 WBAHPXSTGOVWAM-UHFFFAOYSA-N 349.793 4.461 0 1 EIAF CSc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587155193 IMJZRZIZTOACGZ-SFHVURJKSA-N 341.411 4.215 0 1 EIAF COc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cn1 587163161 LKQOJARDLYVFNU-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc4ccc(O)cc14)[C@@H](C2)C3=O 587448782 GBEFUTKNVJIMOB-LAUBAEHRSA-N 332.355 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1C)CC2=O 587485162 ZUJMPOZMWRYAOK-LJQANCHMSA-N 326.392 4.368 0 1 EIAF Cc1cc(F)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587507227 UZNWVEQXAOCYPZ-SFHVURJKSA-N 326.367 4.425 0 1 EIAF Cn1ncc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587517997 YNVOIJFBFWEBKG-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF COc1ccc(/C=C/Cc2nc3c(F)cnc(Cl)c3[nH]2)c(OC)c1 587928573 DRKKBMWQEBKPCI-ONEGZZNKSA-N 347.777 4.024 0 1 EIAF CN1CCC=C(c2ccc(CN(C)CCCc3ccccc3)cc2)C1 653784977 LZNORAAYUNJQFS-UHFFFAOYSA-N 334.507 4.470 0 1 EIAF COC(=O)c1ccc(/C=C/CN(C)Cc2cccc3ccoc23)cc1 653887628 YMTFFKSTXWEGEI-SNAWJCMRSA-N 335.403 4.365 0 1 EIAF Cc1ccc2oc([C@]3(C)NCCc4c3c(C(C)C)nn4C)c(C)c2c1 962906513 GQFBWLHHUIFCGV-OAQYLSRUSA-N 337.467 4.316 0 1 EIAF c1ccc(-c2nc(C3CC3)cc([C@H]3COC4(CCCCC4)O3)n2)nc1 1857558763 YKRYIAXIZOEBJH-GOSISDBHSA-N 337.423 4.164 0 1 EIAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(F)cc2)O1 72140776 JSDNDBCFARLCMV-WMLDXEAASA-N 334.387 4.410 0 3 EIAF CCCNC(=O)O[C@@H]1C=C[C@H](c2c(C)nn(-c3ccccc3)c2C)C1 8624131 VJEJQNILDFBJOC-FUHWJXTLSA-N 339.439 4.037 0 1 EIAF biogenic Nc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13757270 ADKAMMRGIBOIAN-UHFFFAOYSA-N 349.411 4.106 0 1 EIAF COC1(OC)[C@@]2(Cl)C3=CCCC=C3[C@]1(Cl)C(Cl)=C2Cl 18127526 ICEZQUPYTITPJE-TXEJJXNPSA-N 342.049 4.294 0 1 EIAF COc1cc(CNC(=O)CCCCCCc2ccccc2)ccc1O 26578359 ONAHJHLNXUYDHS-UHFFFAOYSA-N 341.451 4.210 0 1 EIAF C[C@@]1(CCCCC(=O)Nc2ccccc2N)Cc2ccccc2C1=O 28824220 INPBMLHSXDVHBD-OAQYLSRUSA-N 336.435 4.213 0 1 EIAF Clc1ccc(CNc2ncnc3c2ncn3C2CCCC2)cc1 40863877 JFSXPLUYIWODIG-UHFFFAOYSA-N 327.819 4.207 0 1 EIAF CSc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45167656 CDTFTOYVXYHDPZ-ACJLOTCBSA-N 335.900 4.316 0 1 EIAF O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnco1 64559180 ROLXVDFEIIZXAF-UHFFFAOYSA-N 335.388 4.133 0 1 EIAF Cc1ccc(Oc2ccc(C(=O)N(C)Cc3ccncc3)cc2)cc1 72170643 AKTILUJYCBOTIS-UHFFFAOYSA-N 332.403 4.455 0 1 EIAF Cc1ccc(-c2nc3ccc(C(=O)O)cc3nc2N(C)C(C)C)s1 116231929 GECQESOIABNQFL-UHFFFAOYSA-N 341.436 4.210 0 1 EIAF OC[C@@H](Nc1ncnc2oc(-c3ccccc3)cc12)c1ccccc1 143953689 GPERDLZLRGFVOX-QGZVFWFLSA-N 331.375 4.035 0 1 EIAF C/C(=C/CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)CO 169414780 NXCRMGUYKIJISM-OFRWJVFSSA-N 332.440 4.426 0 1 EIAF CCC/C=C\COC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253667973 VYMTVUHJJJHELN-SZBAIWTNSA-N 336.472 4.354 0 1 EIAF CO[C@H]1CCC(C)=C[C@@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@]1(C)O 299811239 UPAIMEGFTSSJTL-ZJOUEHCJSA-N 348.483 4.241 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586880786 RYXCEBSOBHMAPS-YVMONPNESA-N 332.281 4.347 0 1 EIAF Cc1nccc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587013251 QCNODDYTBXQVKT-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Cc1cc(F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077726 YXBYTIOYWKEBRJ-OAHLLOKOSA-N 329.762 4.281 0 1 EIAF O[C@@]1(c2cccc(Cl)c2)CCc2nc3cccc4c3c(c2C1)CC4 587209267 MFRWJNAEBBPSQB-NRFANRHFSA-N 335.834 4.363 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587420724 IJWKXVBFLOTQRZ-YVEFUNNKSA-N 335.186 4.491 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccsc1N)(C(C)(C)C)[C@@H](C2)C3=O 587451687 LLRKCRDKDDRXKT-DJJJIMSYSA-N 343.448 4.028 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C2CC2)N1 587758493 XUZOLVZJPRXAJS-DYZYQPBXSA-N 349.247 4.348 0 1 EIAF Cc1cccnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587774516 WCRGXEIPOQMWIN-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF COc1ccc(C=O)cc1-c1nc2cc(Br)cc(C)c2[nH]1 587787882 SDXFLBYJQSURKX-UHFFFAOYSA-N 345.196 4.122 0 1 EIAF CSC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587841998 CUBWFEWTFFWZPB-ISVAXAHUSA-N 330.266 4.059 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccs2)N1 587847947 NBFYHYRWGJDYFV-PSLIRLAXSA-N 340.261 4.447 0 1 EIAF COc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1F 587932811 ZPDRUJBFOAAAOC-HXPMCKFVSA-N 326.371 4.164 0 1 EIAF CC1(C(=O)O)CCC2(CC1)NCCc1cccc(-c3ccccc3)c12 962671133 SARRZVMXXGHCRE-UHFFFAOYSA-N 335.447 4.360 0 1 EIAF CN1CCc2c(sc3ncnc(Nc4ccc(Cl)cc4F)c23)C1 1857597198 OYRNXOFIKGIUTR-UHFFFAOYSA-N 348.834 4.215 0 1 EIAF CC(C)=C[C@H]1CC(=CCCC(C)=CCCC2=CC(=O)OC2)C(=O)O1 2356647624 CKWCZHSERNCFJJ-SFHVURJKSA-N 330.424 4.184 0 1 EIAF CCC(C)=C[C@@H]1C(=O)O[C@@H]2C=C[C@H](C(=O)OCCC(C)C)CC[C@H]21 2356809358 AQGUKTHRCNAALC-VSZNYVQBSA-N 334.456 4.056 0 1 EIAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@H]3CCC(C)=C[C@H]32)O1 2356867354 WQXFDBGFWSORFF-ZEXGJKEESA-N 348.575 4.283 0 1 EIAF Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 13588894 XDWPMAKSOJITSN-UHFFFAOYSA-N 335.190 4.277 0 1 EIAF O[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C2=NCCCCN21 13760580 JDGHEGQYEARKKK-SFHVURJKSA-N 347.245 4.043 0 1 EIAF Oc1ccc(Nc2cc(Cl)nc(Nc3ccc(O)cc3)n2)cc1 40422628 DVORMMMGPHLXRF-UHFFFAOYSA-N 328.759 4.028 0 1 EIAF COc1cccc2c1N[C@H]1[C@H]2CCN[C@@H]1Cc1cccc2ccccc12 40460479 MDJXRHFEZCHQBQ-VWPQPMDRSA-N 344.458 4.331 0 1 EIAF C=CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(OC)cc2)OC1 82157852 JMQHFHMXCNSENE-FQEVSTJZSA-N 335.403 4.196 0 1 EIAF c1ccc2c(c1)C[C@@H]1N[C@]2(C2SCCCS2)c2ccccc21 100649297 PJTKFTBQVOSAOH-HKUYNNGSSA-N 325.502 4.327 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1C(=O)N[C@@H]1CCCC[C@H]1C 114426726 TXKPZTXKDZJITP-BXKDBHETSA-N 346.254 4.319 0 1 EIAF O=C(Nc1ccc(-c2ccccn2)cc1)n1sc2ccccc2c1=O 169311126 IXHDMUUZYOETNX-UHFFFAOYSA-N 347.399 4.205 0 1 EIAF CN(C)C(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027995 LEEGFGFFTFUHKS-UHFFFAOYSA-N 348.431 4.055 0 1 EIAF COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1C 587114615 VLYGILNUSNUQTM-ZDUSSCGKSA-N 349.356 4.141 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1 587164823 BZIGDOGWCLRFQO-UHFFFAOYSA-N 346.287 4.031 0 1 EIAF COc1cncc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 587165972 JMIMZGMKARUTRW-UHFFFAOYSA-N 336.370 4.087 0 1 EIAF Fc1ccc2c(-c3nc4cc(Br)cnc4[nH]3)coc2c1 587175177 QONHJZSYLMQFJC-UHFFFAOYSA-N 332.132 4.273 0 1 EIAF N=c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c2ccccc2[nH]1 587254671 WMAUVTOWYWZKLQ-UHFFFAOYSA-N 329.190 4.497 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc3ccncc13)O2 587379127 SRQUMEQZOCPJMK-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3cccc(C(=O)O)c13)O2 587410151 YPFMFMFFBSEHGT-GOSISDBHSA-N 347.370 4.135 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)s1)[C@@H](C2)C3=O 587424221 YARIRZNUPCYJQX-VFZGTOFNSA-N 340.322 4.264 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O 587448796 GGQQVVSIRWHELM-UWJYYQICSA-N 332.355 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(F)c1F)CC2=O 587466136 LZPXCGSHBVNKNP-OAHLLOKOSA-N 336.309 4.469 0 1 EIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1N(C)C 587510939 HWNMTINZEQFETQ-IBGZPJMESA-N 336.435 4.041 0 1 EIAF O=C1C[C@@H](c2ccc(-c3ncon3)cc2)Oc2c1ccc1c2CCCC1 587528335 XINFPSOAGZTKOK-IBGZPJMESA-N 346.386 4.322 0 1 EIAF CCOC(=O)c1coc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531457 GMIYCOBKNGHDLQ-SFHVURJKSA-N 340.375 4.042 0 1 EIAF COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 587627345 SRARXBNWUPXPIX-MRXNPFEDSA-N 343.770 4.172 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@H]1CCCC[C@H]1O 587863228 VNGRMIDPZFYOOL-HUUCEWRRSA-N 340.345 4.054 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3ccc(C(C)=O)cc3[nH]2)cc1OC 587927831 YBICBQDKNLORSM-GFCCVEGCSA-N 338.407 4.129 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587932232 WGHSWNNDDZUXDX-APPDUMDISA-N 347.340 4.431 0 1 EIAF CC1(C)COC(CCC[C@H]2c3c(F)cccc3C[C@@H]3CCCN32)OC1 963112146 WQNFDVRKHKDAIE-WMZOPIPTSA-N 347.474 4.457 0 1 EIAF COc1ccc([C@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1 1857546996 ZIRUMFOISHAJDS-MBSDFSHPSA-N 343.473 4.190 0 1 EIAF COc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1COc3ccccc3[C@H]1N2 1857595563 HFXJCUDSLLSUHA-ORYQWCPZSA-N 344.414 4.398 0 1 EIAF COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1O 6487286 LRXBLKKDUMOEFS-LSDHHAIUSA-N 344.451 4.475 0 1 EIAF biogenic Cc1oc(-c2ccoc2)nc1CN1CCC[C@@H](C(=O)CC(C)C)C1 11813755 AYURIVFOUAZHDN-OAHLLOKOSA-N 330.428 4.070 0 1 EIAF CC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610514 HROHMOBSTHYEML-USUWBSJTSA-N 342.479 4.205 0 1 EIAF CCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCC 13676224 CNWPQOSFYJXVLE-UHFFFAOYSA-N 327.359 4.310 0 1 EIAF COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1 13777039 NPIJXUGEZHABCE-GCPZOVCVSA-N 345.489 4.097 0 1 EIAF Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 13835013 ZPNGDILGFTUBAL-UHFFFAOYSA-N 340.430 4.496 0 1 EIAF CCCCCCOc1ccccc1-c1nnc(NNC(C)C)s1 26384048 HJNQCFKHRWBVHE-UHFFFAOYSA-N 334.489 4.489 0 1 EIAF COc1cc(NCCCCCNC2CCCC2)c2ncccc2c1 26489337 CHHMEMSWTSAGOW-UHFFFAOYSA-N 327.472 4.358 0 1 EIAF O=S(=O)(Nc1ccc(Cl)c2cc[nH]c12)c1ccc(Cl)cc1 28233729 WSPYXXIMXZSYBC-UHFFFAOYSA-N 341.219 4.276 0 1 EIAF CCC(=O)[C@@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@H]2CC[C@@H]1N2C 36270725 NBXHPPSAAQZXHP-RPUPUWCGSA-N 337.463 4.394 0 1 EIAF COc1ccc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)cc1 66112987 QLGPKXAWOYCTQJ-SFQUDFHCSA-N 341.455 4.485 0 1 EIAF CCCC[C@]12C[C@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 101059566 GLRSTYUPPYHLCG-MOPGFXCFSA-N 331.843 4.479 0 1 EIAF COc1ccccc1-c1cc2c(NCc3cccnc3)ncnc2s1 299856624 CYMHTPZELLVORX-UHFFFAOYSA-N 348.431 4.374 0 1 EIAF Cc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586888684 XEDNRZJQJUKOJR-GRYCIOLGSA-N 345.240 4.273 0 1 EIAF Cc1nc(Br)sc1-c1nc2cc(F)c(F)cc2[nH]1 587012328 WNSHDKPEDNACSO-UHFFFAOYSA-N 330.157 4.036 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 587070023 ORGCUNARQUTLPQ-JTQLQIEISA-N 342.782 4.291 0 1 EIAF COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(Cl)n1 587084309 XUJKYRXTIQEUMW-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4c(C)cccc14)[C@@H](C2)C3=O 587437674 JANPVMKQMONWPP-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587443094 TWMIVMORDZNOGC-IERDGZPVSA-N 338.403 4.281 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(F)cc13)CC2=O 587471597 LKTGQBVAEOTNPK-KRWDZBQOSA-N 340.354 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(C)=O)CC2=O 587491286 VTNZMBMRHSAXJL-OAQYLSRUSA-N 338.403 4.428 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501589 CEGWMDZAXPIKOA-IBGZPJMESA-N 326.367 4.420 0 1 EIAF COc1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502338 VDNZWVUABRPDMV-MRXNPFEDSA-N 343.810 4.329 0 1 EIAF CC(C)Oc1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587519123 UUXYOMZAWCLXOI-LJQANCHMSA-N 337.419 4.454 0 1 EIAF COc1cc(C)ccc1OCc1nc2ccc(Br)cc2[nH]1 587563650 GXVQPANGTFFMLN-UHFFFAOYSA-N 347.212 4.221 0 1 EIAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccc(Cl)cn3)[nH]c12 587624446 MILWTSPKPUOVCI-UHFFFAOYSA-N 335.190 4.472 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2)N1 587815885 QWWZFYIJUGRRLF-GTNSWQLSSA-N 334.232 4.386 0 1 EIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)CC)nc2c1 587956761 VZTUJGDKDGFMAJ-QMMMGPOBSA-N 325.206 4.016 0 1 EIAF Cc1cc2nc(-c3cn4nc(C(C)(F)F)sc4n3)oc2cc1C 653672737 FYQBCLVZWOWBKU-UHFFFAOYSA-N 334.351 4.328 0 1 EIAF O=C(NC12C[C@H]3CC(F)(C[C@@H](C1)c1ccccc13)C2)N1CCCCC1 653798447 WOOMLSVZINNMRQ-XBLGPDGASA-N 342.458 4.488 0 1 EIAF O=c1ccc2ccc(OCCCCCCCCn3cccn3)cc2o1 1857767366 STNNSQZTAHVHPY-UHFFFAOYSA-N 340.423 4.409 0 1 EIAF Cc1cc(Br)c([C@]2(C)CC[C@H]3C[C@@]32C)cc1CC(=O)O 2356433944 ZRKOMWKJSAHJFB-ZLIFDBKOSA-N 337.257 4.462 0 1 EIAF O=S(=O)(Nc1c(O)ccc2ccccc12)c1cccc2ccccc12 15952472 FVNNRRJGTQAXGH-UHFFFAOYSA-N 349.411 4.499 0 3 EIAF O=C(Nc1nccs1)c1oc(=O)c2ccccc2c1-c1ccccc1 224609 VIGQHPDVBZRVGU-UHFFFAOYSA-N 348.383 4.169 0 1 EIAF CC[C@H](C)c1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2nc1O 233862 YZEGVKBKEDNAEA-SQWLQELKSA-N 340.471 4.403 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43[C@@H]3CS3)[C@@H]1CCC2=O 26738687 ZSIYAFPOXRGFRA-CNTMNXNISA-N 330.493 4.183 0 1 EIAF O=C(OC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 45167330 JNEKYIRAAAWMTK-INIZCTEOSA-N 329.827 4.019 0 1 EIAF CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1 63539747 UDRXOUVRNMKWQA-UHFFFAOYSA-N 329.407 4.367 0 1 EIAF O=C(CSc1ccccc1Br)c1ccc(Cl)nc1 73169167 NHNGVLKLLVHWEV-UHFFFAOYSA-N 342.645 4.473 0 1 EIAF CCOc1ccccc1CNc1cc(-c2ccc(F)c(F)c2)ncn1 82162354 PYXZCSHSQVKWKV-UHFFFAOYSA-N 341.361 4.433 0 1 EIAF Cc1cc(C)nc(SCc2cc(=O)c3cc(Cl)ccc3o2)n1 96911293 JMSFJJNEFCFAKX-UHFFFAOYSA-N 332.812 4.146 0 1 EIAF O=C(CCc1c[nH]c2ccccc12)Oc1ccc(CN2CCCC2)cc1 96914937 WNQXVPYJAJIMMO-UHFFFAOYSA-N 348.446 4.302 0 1 EIAF OC1(c2ccc(Cl)cc2)[C@@H]2CC[C@@H]1CN(Cc1ccccc1)C2 100947969 WTEIJIHIMKEQPY-QZTJIDSGSA-N 327.855 4.070 0 1 EIAF Clc1ccc2c(NCCCNc3ccnc(Cl)n3)ccnc2c1 103260181 HVNBVLJCWPBWFV-UHFFFAOYSA-N 348.237 4.246 0 1 EIAF CCC(=O)C(CC/C=C/CCc1ccc2c(c1)OCO2)C(=O)CC 137665782 FXPMDQKCBRJXGI-AATRIKPKSA-N 330.424 4.259 0 1 EIAF OCCc1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899435 WOCBRLHHBXOXNB-UHFFFAOYSA-N 330.387 4.137 0 1 EIAF CCc1ccc(-c2nc(-c3nc4nc(Cl)c[nH]c-4n3)cs2)cc1 587015091 FFXVFJJQCVABSH-UHFFFAOYSA-N 341.827 4.311 0 1 EIAF FC(F)(F)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cn1 587036750 LSZKQRVNIJQVHW-GFCCVEGCSA-N 341.383 4.417 0 1 EIAF FC(F)COc1cccc(-c2nc3cc4ccccc4cc3[nH]2)n1 587122522 DZWILFVMKDQDNN-UHFFFAOYSA-N 325.318 4.422 0 1 EIAF O=C(CCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)cc1 587163580 RTCHXIZMSAIJNH-UHFFFAOYSA-N 338.169 4.219 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587241994 NBOGNDHQLYLJSU-UHFFFAOYSA-N 346.793 4.402 0 1 EIAF Cc1ccc(-c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)no2)cc1 587393864 AQZAWFHQILRNOH-IBGZPJMESA-N 334.375 4.247 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3cccs3)n1)O2 587413541 PECPFVJFHPDWCY-CQSZACIVSA-N 342.445 4.469 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422259 SOECDJLBZJTHJE-KSSFIOAISA-N 348.320 4.377 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587427818 VYMBHHSFEBXWFE-XOBRGWDASA-N 344.357 4.112 0 1 EIAF Cn1cc2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 587517393 MLSGTCFREMUOIP-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF O=C(O)/C=C/c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529901 RWFQSRHUYMOMMJ-ZAHGZRRWSA-N 348.398 4.370 0 1 EIAF O=C(O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632298 JAWMDTJPCRBZTO-UHFFFAOYSA-N 348.171 4.364 0 1 EIAF Clc1cc2nc(COC/C=C\c3ccccc3)[nH]c2c(Cl)n1 587780835 JVDNUJOSECVIHX-DAXSKMNVSA-N 334.206 4.495 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587786481 QSHZXEFXACQOMZ-STQMWFEESA-N 344.773 4.299 0 1 EIAF CCCNC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587860056 LXARKBBJXSBHJK-UHFFFAOYSA-N 342.226 4.223 0 1 EIAF CC/C(=C\c1nc2ccc(S(C)(=O)=O)cc2[nH]1)c1ccc(C)cc1 587967106 KYNMMVRHGBCFJL-SDNWHVSQSA-N 340.448 4.225 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)[C@@H](F)CNC2 1857617740 WRLYKBHUXDAOMF-VIFPVBQESA-N 347.440 4.097 0 1 EIAF COc1c(C(C)C)cc(C=O)c2c1O[C@H](O)[C@@H]1C(C)(C)CCC[C@@]21C 2356569293 KSLAMLCCQWCCLH-DYXWJJEUSA-N 346.467 4.426 0 1 EIAF CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 8586228 AOULTBMUVYUCBA-UHFFFAOYSA-N 340.467 4.216 0 3 EIAF c1ccc(-c2nc(Nc3ccncc3)cc(-c3cccnc3)n2)cc1 1497852 AMZWAKJFQUEALJ-UHFFFAOYSA-N 325.375 4.344 0 1 EIAF COc1ncnc2c(Cl)c([C@@H](O)c3ccccc3)c(Cl)cc12 1662000 RDCCSIXAVAYADF-HNNXBMFYSA-N 335.190 4.027 0 1 EIAF C[C@]12CC[C@H]3[C@H]4Cc5cc(C=O)oc5C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O 27423203 YEOOFMLWOGDHOL-ABMGQRHLSA-N 328.452 4.020 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801275 YUEVEZWXYBGVTF-JTWKEUNNSA-N 345.527 4.301 0 1 EIAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3C(C)C)sc1C(=O)O 68245423 SOSCSHKGZUCDMS-UHFFFAOYSA-N 325.393 4.224 0 1 EIAF COc1oc(=O)c2cc(NCCCc3ccccc3)ccc2c1Cl 95591949 CLGWNRYYXPKPSQ-UHFFFAOYSA-N 343.810 4.500 0 1 EIAF CCCN(CCC)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 169349613 WKJZYNVZBOIMRA-UHFFFAOYSA-N 325.408 4.345 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C[C@@H]12)OC(=O)[C@H]3C 238761038 QPYNKFVRSIYHQA-GKHZQKPJSA-N 332.440 4.158 0 1 EIAF CCn1c(NC(C)C)nc2c(-c3sc(C)nc3C)csc2c1=O 299871267 YGEGQTNEVVJOLB-UHFFFAOYSA-N 348.497 4.039 0 1 EIAF O=C1c2ccccc2-c2cc(CN3CCCCC3)nc3ccc(O)c1c23 586987996 KFLLMYXSXHNSHQ-UHFFFAOYSA-N 344.414 4.138 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ncc[nH]c-2n1 587011484 HRESNGLHQCUTFS-UHFFFAOYSA-N 327.800 4.057 0 1 EIAF CCc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114874 YAIHLENJVZRLSF-AWEZNQCLSA-N 333.357 4.387 0 1 EIAF CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(C)cc1 587207782 VRBCQQXICPTAPH-OAHLLOKOSA-N 345.805 4.084 0 1 EIAF CSc1ccc2c(c1)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587408424 BNMMYOOKDCXBLZ-LJQANCHMSA-N 325.433 4.106 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2)N1 587736987 VFHUJUUNHGMYGK-FVMDXXJSSA-N 338.195 4.351 0 1 EIAF CCOC(=O)Cc1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587960580 MLWRWWKDUBGIJU-IRXDYDNUSA-N 334.419 4.015 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587963073 LHQGEGYRFKDJED-JGVFFNPUSA-N 346.736 4.273 0 1 EIAF FC(F)(F)Oc1ccc(-c2ccc3nc(C(F)(F)F)nn3c2)cc1 653821651 HTDIUSNAZRHFAD-UHFFFAOYSA-N 347.218 4.314 0 1 EIAF CC(C)N1[C@H]2CC[C@H]1CC1(C2)c2c(F)cccc2C[C@H]2CCCN21 963100797 JNBAXSPAEYCSOY-SQNIBIBYSA-N 328.475 4.077 0 1 EIAF Nc1ccccc1-n1c(-c2ccccc2)nc2cc(Cl)ccc2c1=O 1772598764 BFUICTJYDUNWFP-UHFFFAOYSA-N 347.805 4.288 0 1 EIAF CCN(C(=O)c1c(-c2ccccc2)noc1[C@@H](C)O)C1CCCCC1 2356303356 RUTJPPLGXAPCSB-CQSZACIVSA-N 342.439 4.190 0 1 EIAF COc1cc(-c2ccccc2)c(O)c(C(C)=O)c(=O)c1-c1ccccc1 2356323657 CUOXCUWYCBQGCZ-UHFFFAOYSA-N 346.382 4.298 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 61903490 MMCVUJYNZHMNOT-QGZVFWFLSA-N 345.395 4.048 0 3 EIAF CN(C)c1ccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)cc1 61928262 VXABRGBREASEEK-QGZVFWFLSA-N 328.412 4.097 0 3 EIAF C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4027889 BFKPXLDFMBGVDL-AEFRDVJXSA-N 342.479 4.162 0 1 EIAF biogenic CCCCCCNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CC)[C@H]1C2 13453842 UBWZQILFMCCHFE-PZJWPPBQSA-N 344.499 4.263 0 1 EIAF O=c1cc(-c2ccccc2)oc2cc(O)c(Cc3ccccc3)c(O)c12 13558403 JMNAZOAGHJKBGQ-UHFFFAOYSA-N 344.366 4.462 0 1 EIAF CCCCCCOC[C@H](CCP(=O)(O)O)OCCCCCC 13759995 NGNOZIVRFHIABU-INIZCTEOSA-N 338.425 4.117 0 1 EIAF CCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398847 FGOHBHQHFAYLCZ-LLIKJAHMSA-N 336.472 4.089 0 1 EIAF CN(C)CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289134 XVEDKZVZEARJTI-ISKFKSNPSA-N 346.518 4.326 0 1 EIAF FC(F)(F)c1cccc(CNc2cc(Cl)nc3ccnn23)c1 40394935 GVPIKCCMYRZTNL-UHFFFAOYSA-N 326.709 4.014 0 1 EIAF CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3)n2)C1 82068760 BNROBVJNXWFWPI-YWZLYKJASA-N 341.455 4.258 0 1 EIAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 85614637 YQNLDLVKFNZFTI-MYVTXIQWSA-N 332.440 4.105 0 1 EIAF in-man CCC(=O)[C@@H]1[C@H](c2ccc3cc(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 137796348 NBXHPPSAAQZXHP-UGGKCQTMSA-N 337.463 4.394 0 1 EIAF COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)cc2)cc(O)c1OC 198047050 LEAXCWQSSQBHGJ-KGLIPLIRSA-N 330.424 4.172 0 1 EIAF O[C@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@H]1c1ccccc12 254113559 GTAUFWQVNOOSHQ-CCSDVLNMSA-N 348.442 4.301 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586886095 ZRTFOONIKHHUDD-GUUCOKDPSA-N 346.272 4.497 0 1 EIAF CCCc1nc(-c2nc3cc(F)ccc3[nH]2)nn1-c1ccccc1F 587155853 IMRLXWHTMWZYLV-UHFFFAOYSA-N 339.349 4.041 0 1 EIAF Cc1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c(C)n1 587229896 LFXVUBHFMOVBAN-UHFFFAOYSA-N 329.407 4.249 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(Cl)ccc31)O2 587378225 AVCFXWGOLQRBSF-IBGZPJMESA-N 343.810 4.264 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(C)(C)C)c1O)O2 587403508 HUSBQINZTVHSCC-QGZVFWFLSA-N 325.408 4.287 0 1 EIAF CCCC[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587405887 YWPYYRVNIAGKRO-HXUWFJFHSA-N 325.408 4.334 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C1/CCCO1)(c1ccccc1)O2 587410866 GUJNXLUVDPUBNP-JQFUVSSDSA-N 335.403 4.132 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(OC)ccc4ccccc14)[C@@H](C2)C3=O 587443520 QYKLLHIJORWSER-KSFYIVLOSA-N 346.382 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3nccc-3cc1F)CC2=O 587469426 ZSAFBWDVIHCOJG-INIZCTEOSA-N 340.354 4.018 0 1 EIAF Cc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613917 QCXQRXJEJJNRMU-CRAIPNDOSA-N 338.384 4.465 0 1 EIAF COc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)F)cc1OC 587633478 DCRBKVOFVXCUAX-UHFFFAOYSA-N 349.308 4.439 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]ccc32)N1 587802357 LQIZLJKLYOXSGR-DYZYQPBXSA-N 349.247 4.030 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)cc(F)c1 587871098 ZTEAILRKCXTNRI-UHFFFAOYSA-N 346.308 4.055 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 587931797 TUBCXCQVXIBBFZ-KZULUSFZSA-N 327.815 4.374 0 1 EIAF COc1ccccc1Nc1nccc2nc(-c3ccccc3)cnc12 653724812 ZEYJXRCHEFTSTA-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF O=C(O)C[C@H](c1cc(F)cc(-c2cccc(F)c2F)c1)c1ncco1 1772581407 XPSOZSMLEBNQOY-CQSZACIVSA-N 347.292 4.366 0 1 EIAF N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1C=CC=C[C@@H]1[C@H](N)C[C@H]2CCCC[C@H]21 2356861324 UHRBQJCDCXMZHK-FVDSRFTMSA-N 328.544 4.406 0 1 EIAF O=C(CCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1)Nc1ccccc1 11879340 FNXXEGGKFJVSRX-GOSISDBHSA-N 340.467 4.000 0 3 EIAF Cc1cc2c(cc1C)N(Cc1ccccc1)/C(=C1\C=CC(=O)N=C1)N2 104021138 NCCBOICXDUASMN-HEHNFIMWSA-N 329.403 4.114 0 3 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 13443769 FMPNFDSPHNUFOS-HAHRSARXSA-N 345.527 4.419 0 1 EIAF CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 25972827 ZCXJGEJNWUVYCS-UHFFFAOYSA-N 341.802 4.401 0 1 EIAF CC(C)(Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)C(=O)O 26401471 FAFDOCGWBXOXEM-UHFFFAOYSA-N 348.786 4.226 0 1 EIAF C[C@@H]1[C@H](O)C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 85693066 CFGGKJQJJRBWIG-LNNOLSETSA-N 332.440 4.047 0 1 EIAF COc1ccc(C(=O)OC[C@@H](C)[C@H]2CC[C@H]3[C@@H](O)CCC[C@]23C)cc1 96935078 ONWNXAOLFUDECY-YAJUCGGBSA-N 346.467 4.065 0 1 EIAF CCN1CC[C@@H](c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1 117713402 YRPHNDKDLVXETE-MRXNPFEDSA-N 328.843 4.402 0 1 EIAF Cc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 169334041 AEUYRDUBSFOYNV-LRDDRELGSA-N 338.373 4.128 0 1 EIAF C[C@@H](COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12)N=O 169715179 VUESFDDJHUGXQX-NSHDSACASA-N 342.782 4.382 0 1 EIAF COc1cc(F)ccc1-c1ccnc2[nH]c([C@@H]3CCCN(C)C3)cc12 226060703 CFTUHPJPELZSFB-CYBMUJFWSA-N 339.414 4.187 0 1 EIAF Cc1cncc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586995164 DQMNACMAEQXXOW-UHFFFAOYSA-N 346.228 4.343 0 1 EIAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(C(=O)O)c2[nH]1 587066535 PJEFPYSZESSWKV-UHFFFAOYSA-N 344.798 4.235 0 1 EIAF COc1c(F)ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1N 587133226 MXHIAVFDYBHBGW-UHFFFAOYSA-N 343.255 4.118 0 1 EIAF COc1cc(OC)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152779 QNLRALFBJBMDHF-RYUDHWBXSA-N 330.334 4.129 0 1 EIAF N=c1[nH]ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164425 QIYUFTSOIQIIAM-RAXLEYEMSA-N 336.395 4.160 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3ccc4c(c3[nH]2)CCCC4)c1C 587238921 IEJAZEYZGONJTF-UHFFFAOYSA-N 333.435 4.240 0 1 EIAF N=c1cc[nH]cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587249583 OQDBFRXMZYXGTA-UHFFFAOYSA-N 346.234 4.075 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)OC1(C)C)O2 587414969 WWSIPTGZDNURGL-WIYYLYMNSA-N 337.419 4.221 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cncc(-c4ccccc4)c1)[C@@H](C2)C3=O 587435971 LDEVQVXYZUXNMZ-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN(CC)CC)CC2=O 587470623 UTDPYPZMGAAYIK-SFHVURJKSA-N 333.472 4.047 0 1 EIAF CNc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1N 587512888 PXEXLSSGYATLLS-NRFANRHFSA-N 336.435 4.070 0 1 EIAF CCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587534322 YQMNWPYLXWTASE-QGZVFWFLSA-N 340.448 4.174 0 1 EIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600817 BPPXASWYZOCJNQ-MFMBNEJBSA-N 348.398 4.159 0 1 EIAF CCOC1=C[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587799141 ANUILMASIKIHBH-HWPZZCPQSA-N 340.236 4.032 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(O)c3[nH]2)cc1 587938391 WCTCSAXROPBYDT-LJQANCHMSA-N 330.387 4.457 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccnc(OC)c3[nH]2)cc1 587938716 ZGMNWITVMPLGKS-GOSISDBHSA-N 345.402 4.155 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnn3ccccc23)N1 962962658 YGWNJIWDRORAFX-SZNDQCEHSA-N 330.435 4.003 0 1 EIAF CCc1ccc2c(c1)[C@@]1(CCO2)c2c(F)cccc2C[C@@H]2CCCN21 963094209 BTPXWKTURKWOSD-JTSKRJEESA-N 337.438 4.435 0 1 EIAF Cc1cc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cnc1Cl 963118883 XXTKTLUFAGTFHW-BEFAXECRSA-N 330.834 4.467 0 1 EIAF COc1cc2cc(C(=O)c3ccc4ncccc4c3)oc2cc1OC 1772645604 VRFMHMAIKXVXFX-UHFFFAOYSA-N 333.343 4.229 0 1 EIAF COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(C(C)(C)C)cc2)n1 61907030 ADFPSMJIYMUQNX-IBGZPJMESA-N 336.435 4.465 0 3 EIAF Cc1ccc(-c2c(NC(=O)c3ccc(F)cc3)nc3ncccn23)cc1 203465869 LBGFEYYQAAUMJG-UHFFFAOYSA-N 346.365 4.096 0 3 EIAF Cc1c(Sc2c(Cl)cccc2Cl)oc2nc(N)nc(N)c12 45365418 GYNNMKDPYDNNQS-UHFFFAOYSA-N 341.223 4.154 0 1 EIAF O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1F 73311164 YAQRTSUWRLFVKP-AWEZNQCLSA-N 329.154 4.207 0 1 EIAF Cc1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1 84847579 FXKVDPMVIUXUHE-UHFFFAOYSA-N 328.213 4.064 0 1 EIAF O=C(Nc1ccccc1)Nc1ccccc1Oc1ccc2nccn2n1 95558233 KQLKQYRVWDOSNS-UHFFFAOYSA-N 345.362 4.166 0 1 EIAF CC1(C)CCN(c2ccc(C#Cc3cccc(Cl)c3)cn2)C(=O)C1 144432233 RDOPLLYKNYTVRU-UHFFFAOYSA-N 338.838 4.288 0 1 EIAF COc1cc(C(=O)c2csc3ccccc23)cc(OC)c1OC 390400192 HRGGEYGTYYASPD-UHFFFAOYSA-N 328.389 4.158 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587164578 WYCVCFOTQOCMCE-GFCCVEGCSA-N 339.201 4.055 0 1 EIAF Cc1cc(Cl)cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587166552 DLVGABFKTUJYEN-VOTSOKGWSA-N 329.762 4.316 0 1 EIAF CC1(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357532 UWYRITCLSZKOPG-FXAWDEMLSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCSc1ccccc1)O2 587411175 YGPOTJXQAAAUBE-LJQANCHMSA-N 327.449 4.484 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccsc3)n1)O2 587413111 MGSCLNJTAYIUSO-HNNXBMFYSA-N 342.445 4.469 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1OC)[C@@H](C2)C3=O 587418012 GIXQZDCXZUUTME-IFXJQAMLSA-N 344.794 4.020 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)nc1)[C@@H](C2)C3=O 587436974 WOTRKDWSKXYCOZ-JTSKRJEESA-N 343.382 4.246 0 1 EIAF O=C1C[C@H](c2nc3ccc(F)cc3[nH]2)Oc2c1ccc1c2CCCC1 587504477 HIIBFHUUNTWJLL-GOSISDBHSA-N 336.366 4.287 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)o1 587552291 PTLIFFGTQUFGLZ-QAPCUYQASA-N 342.734 4.342 0 1 EIAF O=Cc1ccc(OCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587566613 VXWIZAJZUWEHSO-UHFFFAOYSA-N 335.190 4.304 0 1 EIAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587633252 WURBJRNXVMVOKL-UHFFFAOYSA-N 345.757 4.373 0 1 EIAF CCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587752723 FIDXOYJMXFUKPQ-MGPLVRAMSA-N 337.236 4.033 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2cccc3cncn23)cc1 962657249 ADEZTHCMVMQYAP-QFIPXVFZSA-N 325.415 4.236 0 1 EIAF Cc1ccc2oc(-c3ccc(NCc4ccccn4)c(F)c3)nc2n1 1772587403 CUJFBTBPYIBQIE-UHFFFAOYSA-N 334.354 4.344 0 1 EIAF CC1(C)CC(=[N+]2CCCC2)C=CN1Cc1ccc(C(F)(F)F)cc1 1857536365 XSPCOZAPTQVFMZ-UHFFFAOYSA-N 337.409 4.451 0 1 EIAF Nc1ncc(-c2cccc(OC(F)(F)F)c2)cc1-c1cccnc1 1857590479 UCXKEUQVDGEEPI-UHFFFAOYSA-N 331.297 4.291 0 1 EIAF C[C@@H](Oc1cc(-c2ccnc(O)c2)cnc1N)c1ccc(Cl)cc1 1857609802 GQOQAPXPYVXLIL-LLVKDONJSA-N 341.798 4.225 0 1 EIAF CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 3955324 VVCINSRJONWLMI-CABCVRRESA-N 348.450 4.000 0 1 EIAF COc1ccccc1[C@H]1CN(Cc2cccnc2)Cc2ccccc2O1 12127993 NVHJIQNJVYPAMQ-JOCHJYFZSA-N 346.430 4.226 0 1 EIAF Cc1cc(O)cc(O)c1-c1onc(C(F)(F)F)c1-c1cscn1 13124374 CXGROUGUBSOUJT-UHFFFAOYSA-N 342.298 4.204 0 1 EIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1cccc(F)c1 28528332 KXIJTDNPSISYKD-KRWDZBQOSA-N 327.443 4.429 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]45CCCO5)[C@H]3CC[C@@H]12 29416719 QNMBJXHTULXJII-JRYMJUHKSA-N 345.527 4.399 0 1 EIAF COc1c(C(C)=O)c(O)c(OCCCc2ccccc2)c2occc12 35825034 DNXXGSQBUHLQQM-UHFFFAOYSA-N 340.375 4.361 0 1 EIAF in-vivo C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(F)cc2)S1)c1ccc(F)cc1 40860742 MIGKHDFDKUOWGG-BBATYDOGSA-N 346.402 4.160 0 1 EIAF O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 96169330 JXGQKLMBTDWKCZ-AEFFLSMTSA-N 341.838 4.380 0 1 EIAF O=C(c1ccccc1)N1[C@@H]2CC[C@@H]1C(C(F)(F)F)=C2C(F)(F)F 102917366 MOQUFGYMVKYBAL-NXEZZACHSA-N 335.247 4.095 0 1 EIAF CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 169324262 YUEVEZWXYBGVTF-QGZOAIJVSA-N 345.527 4.301 0 1 EIAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 169334806 UBTJBCNZKMTYEM-JTSKRJEESA-N 332.447 4.467 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc12 587022426 WVMUBCWCRROPDI-UHFFFAOYSA-N 341.827 4.123 0 1 EIAF C[C@@]1(c2nc3cnc4ccccc4c3[nH]2)C=C(c2ccccc2F)NO1 587153869 AWXHOTNOIRUZJO-FQEVSTJZSA-N 346.365 4.041 0 1 EIAF O=C(CCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1 587163373 PYVZLAIBPGMHIG-UHFFFAOYSA-N 338.169 4.219 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(C)C)c1 587401043 POJBWRSCWXJRTF-IBGZPJMESA-N 341.407 4.080 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccco3)n1)O2 587415133 XOKTXNBUBGNXBX-HNNXBMFYSA-N 326.377 4.000 0 1 EIAF CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Cl 587419436 DCOHYYLGLHRSFG-KUHUBIRLSA-N 328.795 4.400 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(C)c1)[C@@H](C2)C3=O 587432190 UVFBZOKQLZJUOH-HTAPYJJXSA-N 345.398 4.283 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C(C)C)c1)CC2=O 587475623 MYBKFMICZRGNTK-IBGZPJMESA-N 328.412 4.003 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nccc(C)c13)CC2=O 587488250 ZEEKHTYEDGNNPJ-KRWDZBQOSA-N 336.391 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c(O)c1)CC2=O 587490850 SCGJZEWUBKWDKJ-FQEVSTJZSA-N 326.392 4.239 0 1 EIAF O=C1C[C@H](COc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587508482 PQIQGHZNCIOJAB-MRXNPFEDSA-N 326.367 4.117 0 1 EIAF Cc1ccc2c(c1)OC(=O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532589 PIWPPGHYGFZQIS-QFIPXVFZSA-N 348.398 4.044 0 1 EIAF CCOC(=O)CC[C@@]1(c2ccsc2)NCCc2c1sc(C)c2C 963028920 QUELOSSPKNJVHY-SFHVURJKSA-N 349.521 4.159 0 1 EIAF Cc1nccn1-c1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963110365 QXDCBDXCUDVVJY-IRLDBZIGSA-N 347.437 4.430 0 1 EIAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(-c2ccccc2)cc1 2356300906 VIGHBXUSXBPOTG-HSQYWUDLSA-N 348.490 4.204 0 1 EIAF CN[C@H](C(=O)c1ccccc1)[C@@H](OC(C)C)c1ccc(Cl)cc1 61705224 KZLHEJJWQRKCFX-MJGOQNOKSA-N 331.843 4.277 0 3 EIAF COc1cccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 61896510 SURPRXUHDKJVCL-INIZCTEOSA-N 348.324 4.186 0 3 EIAF CC(C)C[C@@H]1O[C@H](CCc2ccccc2)CC2=C1C(=O)OC(C)(C)O2 95570395 MCEKNCCOXYECJZ-SJORKVTESA-N 344.451 4.386 0 3 EIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N(C)C 4294920 AIJREPSKMXDITA-OALUTQOASA-N 346.471 4.187 0 1 EIAF O=c1cc(-c2cccc(O)c2)oc(O)c1SCc1ccccc1 6580403 KBAWDIDRQPXFII-UHFFFAOYSA-N 326.373 4.010 0 1 EIAF CCCN1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccccc1C3 29041762 NKKUZNDFNOKSJF-LJQANCHMSA-N 337.463 4.160 0 1 EIAF COC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3n2C)c1 29236647 GLPQMUJVUIUQJE-UHFFFAOYSA-N 329.787 4.380 0 1 EIAF CCCCC[C@@H](O)/C=C/C=C/[C@H](CCCCCCC(=O)O)OC 33820460 FPDXRJMUHIDIMS-MIRRFGAMSA-N 326.477 4.480 0 1 EIAF CC[C@@H](C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 64573708 WFCCFXJZBFNWPM-LLVKDONJSA-N 329.783 4.111 0 1 EIAF CCOc1ccccc1CNc1cc(Oc2ccccc2F)ncn1 82068385 XVBJUANZTGORDE-UHFFFAOYSA-N 339.370 4.419 0 1 EIAF CCCOc1ccc([C@@H]2CCC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194720 LAVLGHQMEANVDC-IBGZPJMESA-N 335.407 4.220 0 1 EIAF O=C(COCc1ccc(Cl)cc1)COCc1ccc(Cl)cc1 169334093 ZKEKJWWBXCUIBK-UHFFFAOYSA-N 339.218 4.296 0 1 EIAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCc2ncsc21 220878825 HXOGQMOVIIHWNA-NSHDSACASA-N 341.263 4.186 0 1 EIAF O=C(Nc1cccc(-c2ccccc2)c1)Nc1ccc(O)c(C(=O)O)c1 584904675 BRISALGJKGCDGB-UHFFFAOYSA-N 348.358 4.401 0 1 EIAF in-vitro O=C(O)c1cc(F)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028574 WMUMFYZDYFELSC-UHFFFAOYSA-N 339.351 4.191 0 1 EIAF Clc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029256 MBXBBBOETMRLTB-UHFFFAOYSA-N 342.811 4.314 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@H]1CCCN1CC4)-c1ccccc1C2=O 587096974 MXFGSLAEVILCOW-GOSISDBHSA-N 340.426 4.448 0 1 EIAF Cc1[nH]nc2c1-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587107132 PPHBJIRWQKQISM-UHFFFAOYSA-N 337.382 4.243 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(N)c(N)cc2[nH]1 587114607 VGRQTGVUWVRGNP-SECBINFHSA-N 334.345 4.092 0 1 EIAF Fc1cc(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587175854 BNZQDBZPAGWJNF-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF CCCOc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399877 MROXWCIAWNJBPF-HXUWFJFHSA-N 325.408 4.247 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c3ccsc3c1)O2 587415217 QNLMRPKRORUFSS-MRXNPFEDSA-N 325.389 4.204 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)Sc4sccc41)[C@@H](C2)C3=O 587453950 SUZPBQYMJJHTFP-GOJSPZCYSA-N 344.457 4.284 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@@]2(C)O[C@@H]12 587484616 HABKCTWPWKILHH-MISYRCLQSA-N 330.424 4.026 0 1 EIAF CCCCCC[C@]1(C(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 587488990 LVQDWLXYGQMTRD-LJQANCHMSA-N 334.412 4.104 0 1 EIAF CN(C)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501362 CKAAEHAOMMLTLM-NRFANRHFSA-N 335.447 4.334 0 1 EIAF O=C1C[C@]2(CCOc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587510756 VYKLTNFODRLHGZ-NRFANRHFSA-N 338.378 4.348 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(CC(C)(C)OC)CC2 963221366 AHYNXOAYOHONBY-SFHVURJKSA-N 344.543 4.059 0 1 EIAF Clc1ccc(CN=c2[nH]c(-c3ccc4c(c3)OCO4)cs2)cc1 1857638779 PBNDMMULTPTQBR-UHFFFAOYSA-N 344.823 4.226 0 1 EIAF O=C1COCc2cc(-c3ccc(Cl)cc3)ccc2N1CC1CC1 74374933 AKMUTQXICKNFNA-UHFFFAOYSA-N 327.811 4.280 0 3 EIAF CC1(C)OC(=O)C2=C(C[C@@H](C3CC3)O[C@H]2c2ccc(Cl)cc2)O1 169303478 STLRHQFLZXUNLP-BBRMVZONSA-N 334.799 4.144 0 3 EIAF O=C(O)Cc1ccccc1Nc1c(Cl)cc(C(=O)O)cc1Cl 13558634 SRESXZLDYLHZGZ-UHFFFAOYSA-N 340.162 4.062 0 1 EIAF O=C(CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 13729942 IMURQBPPOHDZAC-UHFFFAOYSA-N 325.427 4.353 0 1 EIAF Clc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1 13808849 DJUQYZCHZIOROJ-UHFFFAOYSA-N 347.809 4.408 0 1 EIAF CC(C)=CCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1O)CC2 14819203 ZKQRTKHIRJLHLJ-LJQANCHMSA-N 326.392 4.378 0 1 EIAF biogenic CC(C)CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 14971002 UKBYGNGSGOXLFO-SFHVURJKSA-N 342.391 4.099 0 1 EIAF in-vivo CC/C(C)=C/C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]12O 15220252 NLCYQGGPCKLRKG-BEWYOVJBSA-N 346.467 4.122 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(OC)cc2)oc1-c1ccccc1 27087321 CDNBGYPKWAROBP-UHFFFAOYSA-N 337.375 4.123 0 1 EIAF COc1ccc(C[C@H](c2cccc3ccccc23)P(=O)(O)O)cc1 29482900 UZPSPPXMCYKFAI-LJQANCHMSA-N 342.331 4.310 0 1 EIAF CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cc2ccccc2o1 40936935 XGUTZVCDZRFSRE-MOPGFXCFSA-N 349.386 4.208 0 1 EIAF CC1(C)CCC(=O)c2nc3ccccc3nc2-c2ccccc2C(=O)O1 43062076 VMUQGTRWVQYHIN-UHFFFAOYSA-N 346.386 4.209 0 1 EIAF COc1cc([C@@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1O 84689927 HURADEYJNCKBFN-CQSZACIVSA-N 341.451 4.118 0 1 EIAF Cc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1 95554199 BJBSCNNHIJRKDB-UHFFFAOYSA-N 334.423 4.224 0 1 EIAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)OCC1=N2 103670467 HCLGNBVOKUQWOM-LBPRGKRZSA-N 336.178 4.043 0 1 EIAF O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1 106692012 FSHJJYQZCGYBSK-YVLHZVERSA-N 334.400 4.014 0 1 EIAF Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(CC3CCC3)[C@@H](C2)C1 169314679 BZJBICRAKOAVFE-REWPJTCUSA-N 333.475 4.499 0 1 EIAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccc(Cl)cc1)CCN2C 169320296 JWJQMGXUKSBLJJ-GBLZOACLSA-N 327.855 4.228 0 1 EIAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 169500271 OFBLFHTYFUKZFX-MRXNPFEDSA-N 335.190 4.233 0 1 EIAF O=c1ccc2cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)ccc2o1 586916671 RGKQIWXWHGSABX-UHFFFAOYSA-N 332.146 4.038 0 1 EIAF Cc1nc(C)c(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 587012056 MLIPGFVFBPUIKI-UHFFFAOYSA-N 347.443 4.458 0 1 EIAF Fc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076925 PFXVIIISWBXXCP-UHFFFAOYSA-N 342.761 4.191 0 1 EIAF COC(=O)[C@H](C)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587107709 UGIWJQPYQABTRO-GFCCVEGCSA-N 331.371 4.031 0 1 EIAF CCc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587125321 RPUWENICTJSVSM-YMTOWFKASA-N 349.360 4.296 0 1 EIAF Fc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1F 587133905 DLKZHNZUVCOIRL-UHFFFAOYSA-N 334.244 4.353 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)c1C 587239228 MRVWMLVKXPERMU-UHFFFAOYSA-N 347.340 4.380 0 1 EIAF O=C(c1coc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 587281059 RUQASYCNHAMKDV-GFCCVEGCSA-N 339.778 4.322 0 1 EIAF C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357869 WDOOBDHWRJGRDY-OACQNMCBSA-N 326.367 4.449 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1OC)CC2=O 587466213 MLSGCWMWVARYQA-QGZVFWFLSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)([C@@H]1CCCNC1)CC2=O 587484769 NPETTWOGLNCXFO-QVKFZJNVSA-N 345.483 4.094 0 1 EIAF CCCc1csc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 587495778 UAJPSXVALWOZNE-MRXNPFEDSA-N 331.437 4.460 0 1 EIAF CC(C)(Br)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501199 WPCSYPDKFYZCFS-QGZVFWFLSA-N 337.257 4.463 0 1 EIAF CC[C@]1(/C(C)=C/OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587808539 OJNFXDXWSLLQGF-GEMJMUDDSA-N 342.252 4.278 0 1 EIAF O=C(Cc1ccc(F)cc1F)n1nc2cc1Oc1ccc(F)cc1-2 587873661 GQWMDRBGTVWFIB-UHFFFAOYSA-N 330.265 3.956 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCOCC[C@H]1C(F)(F)F 963104066 GYDMAMNBROSGHU-USXIJHARSA-N 343.364 4.030 0 1 EIAF Cc1cc(C[S@](=O)C(c2ccccc2)c2ccccc2)nc(C)n1 1772633931 ONARGKCOENPHCA-DEOSSOPVSA-N 336.460 4.132 0 1 EIAF CO[C@H]1CCCc2[nH]c(=Nc3cccc(Br)c3)sc21 1857654527 IBWKDXXTUBFEJS-LBPRGKRZSA-N 339.258 4.095 0 1 EIAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(=O)CO)C1 2356382078 MAJGNSQEHSUITF-MDUNAHHLSA-N 348.527 4.222 0 1 EIAF CC1(C)Oc2ccc3c(c2C=C1O)O[C@H]1c2ccc(O)cc2OC[C@H]31 2356741131 MCRWVPWUBCXRQM-KUHUBIRLSA-N 338.359 4.072 0 1 EIAF CN(C)c1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cc1 61903898 NRGYFNUETHCLSM-IBGZPJMESA-N 342.439 4.271 0 3 EIAF c1ccc2c(c1)CCC[C@@H]2CCCN1CCN(C2=NCCCC2)CC1 13745349 TUSMXFKAPZNQSR-HXUWFJFHSA-N 339.527 4.087 0 1 EIAF CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)CN2C=C1 13977872 JHRLCWRMDLLAOV-FQEVSTJZSA-N 328.415 4.340 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@@H](O)C[C@@H]21 34533917 HWUVPJJFVCOYPE-FMWKFLBASA-N 330.468 4.484 0 1 EIAF biogenic Cn1c2ccccc2c2cc3c(cc21)OCN(Cc1ccccn1)C3 49807833 AXXQPVZQEHHZIO-UHFFFAOYSA-N 329.403 4.079 0 1 EIAF Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccccc1 84604182 WSWVKBVVBIPYKT-UHFFFAOYSA-N 330.366 4.323 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(=CC(=O)NC(c1ccccc1)c1ccccc1)C2 100897422 SETREJOKOHORIS-NHCUHLMSSA-N 346.474 4.075 0 1 EIAF C[C@H](O)CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920111 PZBUGHMAFKALLO-XTXRNKGMSA-N 348.527 4.364 0 1 EIAF NCC1(c2cccc(-c3ccnc4[nH]nc(C(F)(F)F)c34)c2)CCC1 167034247 IDMUMGBXJGYJTD-UHFFFAOYSA-N 346.356 4.024 0 1 EIAF CCC(CC)OC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 253791575 SSMWNQCHCRSYNE-GSEOLPGOSA-N 329.484 4.293 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586897167 ZSDGQAWWMZOLNL-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF Fc1cc(Cl)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043449 ZOTCGEWHUBXEFW-GJZGRUSLSA-N 347.846 4.302 0 1 EIAF C[C@]1(c2nc3ccc(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587155189 ILEWAWVOHZUHRW-QGZVFWFLSA-N 329.762 4.147 0 1 EIAF COc1cccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587201514 PSLYYWXPXRUIBG-UHFFFAOYSA-N 347.459 4.152 0 1 EIAF Cc1cccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587203656 GODBZBPYJYNBPR-CQSZACIVSA-N 331.460 4.353 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(O)cc4ccccc14)[C@@H](C2)C3=O 587453734 ZWNAHBNCFRGJRJ-LAUBAEHRSA-N 332.355 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)c(F)c1)CC2=O 587467980 VIYZRNLZJQTYFE-LJQANCHMSA-N 343.398 4.256 0 1 EIAF CCCOc1ncccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587484804 GEFDIGXLPBGQJD-GOSISDBHSA-N 341.407 4.235 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(O)c3ccccc13)CC2=O 587492851 XXKOGKRBPSTWBY-IBGZPJMESA-N 349.386 4.305 0 1 EIAF C[C@]1(CC(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510930 HTLGDPHYYPUQJQ-JOCHJYFZSA-N 349.430 4.318 0 1 EIAF C[C@@]1(c2cccc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587529582 PNGMXOYFFGDRJM-NRFANRHFSA-N 336.387 4.144 0 1 EIAF O=C1C[C@]2(CCCC[C@H]2[C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587536784 WMOUQZHDKKWYIY-BPXKWBHBSA-N 340.463 4.496 0 1 EIAF COc1ccc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 587936200 UALYMJRWMAUPAI-UHFFFAOYSA-N 336.782 4.301 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2ccc(Br)nc2[nH]1 587955985 XMLZDWLRSASEKJ-UHFFFAOYSA-N 330.229 4.355 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C1CCCC1)C(F)(F)F 963614156 WNBLKHMHKLNENX-DIFFPNOSSA-N 343.389 4.186 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](c1cccc(F)c1)C(=O)N2 1857746665 XNIIZHREFFTGHX-GOSISDBHSA-N 338.338 4.170 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CC[C@H]1COC(=O)C1 2356602452 ADMUMPSVQUEYSC-TWFRWHMKSA-N 334.456 4.193 0 1 EIAF O=C(NCc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1 123768 QLDPFZROHWKZNW-UHFFFAOYSA-N 329.709 4.076 0 3 EIAF O[C@@H](c1ccc(CN2CCCCC2)cc1)c1nc(-c2ccccc2)c[nH]1 61906987 HKWPOSMJRDSMCK-NRFANRHFSA-N 347.462 4.144 0 3 EIAF COc1ccc(CS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 1485980 HGPAPYGVIXGNRI-MDZDMXLPSA-N 330.449 4.206 0 1 EIAF CN(C)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1 26994168 SXWHZGGXJAJWCP-UHFFFAOYSA-N 332.382 4.497 0 1 EIAF O=C(/C=C/c1c[nH]c2ccccc12)N/C=C/c1c[nH]c2ccccc12 29416273 UEIGNTNIVBVSQQ-HULFFUFUSA-N 327.387 4.450 0 1 EIAF CC(=O)N1CCC[C@@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 36080170 WPMYIIBVFOXKEL-LRUMIOPTSA-N 347.543 4.381 0 1 EIAF O=C(c1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCNC1 49110311 IAPNVLHDPZOUSQ-ZDUSSCGKSA-N 335.234 4.002 0 1 EIAF O=c1[nH]cnc2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 103289631 DNKHMOTYGRQYKW-KRWDZBQOSA-N 326.355 4.209 0 1 EIAF CC1(C)[C@@H]2C[C@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 195504770 OQEQNRBNOUUEML-WVZRYYJFSA-N 348.903 4.187 0 1 EIAF C/C=C(/C)C(=O)OCc1cc(OC)c(OCC=C(C)C)c(OC)c1 238749011 NWWWVLOLZVFKDF-AUWJEWJLSA-N 334.412 4.058 0 1 EIAF Brc1ccnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586885556 WHXPABHEMCRSSC-ZGNZKYAMSA-N 332.245 4.188 0 1 EIAF Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1C 586985078 YIYHBQGMNLKLRW-CQSZACIVSA-N 344.256 4.185 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2c(C(F)(F)F)cccc2[nH]1 587060184 DTIVLWDTZIJESO-UHFFFAOYSA-N 339.704 4.487 0 1 EIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)c(F)cc2[nH]1 587109910 WTQHVECSMRZSMK-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF O=C(O)c1cc(F)cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131806 UQVFBOYIHCTZJF-UHFFFAOYSA-N 346.308 4.282 0 1 EIAF CCn1ccc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cccc21 587430328 GTGXLFNLYVSHJI-IERDGZPVSA-N 333.387 4.159 0 1 EIAF CC(C)n1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513547 CCOBPLKLFJBDQN-NRFANRHFSA-N 338.451 4.309 0 1 EIAF COC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522627 GKZXHUNSWNXSER-IBGZPJMESA-N 336.387 4.059 0 1 EIAF Cc1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 587565543 LQORFIRLCKJBGE-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF Cc1sccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611659 HJXSMPUXAAMELJ-APWZRJJASA-N 338.384 4.465 0 1 EIAF COc1cccc(OCc2ccc(-c3nc4ccncc4[nH]3)cc2)c1 587780981 AUWLRYBTOBTIPL-UHFFFAOYSA-N 331.375 4.213 0 1 EIAF COc1cccc(C)c1-c1nc2cc(Br)cc(F)c2[nH]1 587785625 DQFVFOWYBAWAJB-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF N=c1[nH]ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957754 SUGNDRJLNFLGDO-UHFFFAOYSA-N 346.475 4.289 0 1 EIAF COc1cccc(C[C@@H]2CCC[C@]3(C2)NCCc2ccc(O)cc23)c1 963343882 YGXKJTYLTRCZLE-HTAPYJJXSA-N 337.463 4.175 0 1 EIAF N=C(NO)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1 1857538792 AJXYGYQSEVLLRJ-SNAWJCMRSA-N 349.365 4.068 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@H]5CC[C@H]6CC[C@@]5(C6)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356364578 ZDNSPOYRVSRVOI-PUJVXZIOSA-N 344.495 4.067 0 1 EIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N(C)C 4295638 RVGPATLOLUZPGU-RBUKOAKNSA-N 346.471 4.187 0 1 EIAF O=C1Cc2ccccc2N1C1CCN([C@H]2CCCc3ccccc32)CC1 13561281 VCXYFBSSIJRBFS-QFIPXVFZSA-N 346.474 4.118 0 1 EIAF O=[S@](CCCCCCc1ccccc1)c1ncc(-c2cocn2)o1 28352089 SJQJNLUDVZDFKN-DEOSSOPVSA-N 344.436 4.240 0 1 EIAF CCC(CC)OC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C 36271127 SSMWNQCHCRSYNE-RSPOEFSDSA-N 329.484 4.293 0 1 EIAF COc1ccccc1CCNCc1coc(-c2ccccc2Cl)n1 72183788 ZVRYNTWEYORDHV-UHFFFAOYSA-N 342.826 4.336 0 1 EIAF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccco2)s1 82165785 LKLCSNKSBZMHBW-UHFFFAOYSA-N 340.452 4.413 0 1 EIAF CSCSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 261184075 WWCOUQDEXRRTEL-KMXGUZFVSA-N 330.515 4.035 0 1 EIAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CCC(C)=CCC1 299807771 YFOLGCJWYIGIKF-FUMNGEBKSA-N 331.500 4.343 0 1 EIAF Clc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 587018246 ZFWZXXZDFAFJLW-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF O=C(O)c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1F 587097641 MENJQSMEFUTWEI-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF NC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144920 GAFOPRQCHZGCDX-UHFFFAOYSA-N 345.377 4.059 0 1 EIAF COC(=O)Cc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362585 KGPCAVREYSVKLT-UHFFFAOYSA-N 347.370 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C3CCCCC3)nc1)O2 587393765 LTUBDAMSVQIZEO-SFHVURJKSA-N 337.423 4.121 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccccc3)o1)O2 587413609 SPWSEOIGLBDWDZ-FQEVSTJZSA-N 349.386 4.456 0 1 EIAF CC[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418418 HHYDFMSDINAELN-AUUYWEPGSA-N 328.795 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(Cc4cccc5cccc1c45)[C@@H](C2)C3=O 587446260 BFXXRQBZYPJNFY-HTAPYJJXSA-N 328.367 4.047 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(CSc1ccc(C)cc1)[C@@H](C2)C3=O 587450914 VYJWMPBDNBTNDM-OXJNMPFZSA-N 340.444 4.302 0 1 EIAF CC1(C)C[C@]2(C)O[C@@H]2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536896 YAHYHOQEVMTUIQ-JBACZVJFSA-N 326.436 4.247 0 1 EIAF Cc1ccnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773973 SZAZEBDWOGGISH-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF N=c1[nH]ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783911 JEXNRMCBIZQGGA-DHZHZOJOSA-N 342.402 4.120 0 1 EIAF O=C(Nc1cc(F)cc(F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873555 HKEUEYLLUYALBS-UHFFFAOYSA-N 331.253 4.153 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587932882 WRQMJVGSDBNBJC-JTQLQIEISA-N 346.333 4.239 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587950834 CZSRPTFNMJRQFN-MMPTUQATSA-N 328.416 4.191 0 1 EIAF O=c1cc(-c2ccc3occc3c2)[nH]c2c(-c3ccccc3)cnn12 653685722 YDPGURPNDMTBTB-UHFFFAOYSA-N 327.343 4.103 0 1 EIAF CC(C)(C)C(=O)C[C@@]1(O)Oc2ccccc2N=C1C=C(O)C(C)(C)C 1857624495 CGQTWEVSBYOEHG-HXUWFJFHSA-N 345.439 4.333 0 1 EIAF COC(=O)[C@]1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]13C=C[C@](C)(CC[C@@H]12)C3 2356383386 LFZKYFUJTHRDRN-QMSJUBBCSA-N 332.484 4.099 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24C(=O)O[C@@H](C)[C@@H]2CC[C@@H]34)C1 2356418673 RSFPISDAJMWREU-GMJZQHIGSA-N 343.511 4.079 0 1 EIAF CNC1=CC2=CC[C@@H]3[C@H](CC[C@]45CN[C@H](C)[C@@H]4CC[C@@H]35)[C@@]2(C)CC1 2356584401 CUBFRIYMPHETLI-LNLPUAQXSA-N 326.528 4.250 0 1 EIAF CCCCC[C@@H](O)C=CC1=CCC(=O)[C@@H]1CC=CCCCC(=O)O 2356655250 CMBOTAQMTNMTBD-QZTJIDSGSA-N 334.456 4.200 0 1 EIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)cc1[C@@H](O)CC2 1654595 HIWNZGHQROQUOB-HNNXBMFYSA-N 346.448 4.081 0 1 EIAF CC(=O)O[C@H]1CCC[C@@]2(C)C1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 13470372 WJINZNWBMZDWPK-ZYVPZICASA-N 330.468 4.450 0 1 EIAF Cc1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1 13489733 DLZXGSGXNXHCOD-UHFFFAOYSA-N 327.391 4.381 0 1 EIAF Cc1ccc(C(=O)O)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 13531798 YQBNJPBGLONCRL-UHFFFAOYSA-N 338.285 4.356 0 1 EIAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1F 13740353 BRRIKARZSLGBEC-OREJSRFESA-N 325.427 4.256 0 1 EIAF C[C@@H]1[C@@H]2Cc3ccc(N(C)C)cc3[C@@]1(C)CCN2Cc1ccccc1 13742441 RWYOXWWPQFYBCZ-VSDWSMLSSA-N 334.507 4.477 0 1 EIAF C[C@H]1CN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C[C@H](C)O1 72182585 AEKGQDSJZJJMPE-QWRGUYRKSA-N 341.238 4.258 0 1 EIAF Cc1ccc(Cc2ccc(-c3ccncc3Cl)nc2)c(C(=O)O)c1 96173344 RZGZKQQQLBUTER-UHFFFAOYSA-N 338.794 4.394 0 1 EIAF Oc1ccccc1-c1nn(CNc2ccccc2Cl)c(=S)o1 103228946 IYXZOBVMRICUEY-UHFFFAOYSA-N 333.800 4.301 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]24O3 195240389 JTVHQWNUCRXUJU-GVUXFJDWSA-N 336.472 4.414 0 1 EIAF COC(=O)c1cccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c12 587016324 JZHKCVYPTQWIIS-UHFFFAOYSA-N 339.376 4.041 0 1 EIAF Cc1ccc2c3c(cc(C[C@H]4CCCO4)nc13)-c1ccccc1C2=O 587101242 LDBADVJEPXZMLZ-OAHLLOKOSA-N 329.399 4.476 0 1 EIAF COc1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135120 SPNBZHJAOUAAOV-WAYWQWQTSA-N 340.251 4.437 0 1 EIAF Cc1cnc(Cl)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 587139119 WQIHDLCSZNUJEH-UHFFFAOYSA-N 325.721 4.122 0 1 EIAF O=C(c1nn2cccnc2c1Cl)c1coc2ccc(Cl)cc12 587278774 TVUHIDIUBDATCL-UHFFFAOYSA-N 332.146 4.013 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1CCCCCC1)O2 587400649 QYRLUTWPFHTDJK-FPOVZHCZSA-N 342.483 4.100 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)C3CCC3)c1)O2 587406469 RKIZCKDZGDXQFA-IBGZPJMESA-N 335.403 4.267 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC[C@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O 587426236 BIMFAQFACVJLFY-IBNJYYFUSA-N 338.378 4.288 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c4ncccc4c1)[C@@H](C2)C3=O 587435098 BXFPIJXEWNQNEB-HRAATJIYSA-N 331.371 4.041 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)cc1OC)CC2=O 587477728 ILROPVMXHMUWKK-LJQANCHMSA-N 326.392 4.368 0 1 EIAF O=C1C[C@](c2ccccn2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587516117 UXUHLSDTRMGZDL-IRLDBZIGSA-N 349.430 4.000 0 1 EIAF CC(C)(C)OC(=O)C1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587522329 KXSGJYCJJDXBQQ-UHFFFAOYSA-N 342.435 4.021 0 1 EIAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(-c2ccccc2)cc1 587561019 JXHKISXSEVDXAY-UHFFFAOYSA-N 329.359 4.078 0 1 EIAF CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 587632497 FYFVTGCNWAZETH-UHFFFAOYSA-N 345.757 4.373 0 1 EIAF FC(F)(F)Oc1cc2nc(CCOCC3CC3)[nH]c2cc1Cl 587784605 SHDJRFPRQHUSKQ-UHFFFAOYSA-N 334.725 4.084 0 1 EIAF COc1ccc(C[C@H](C)c2nc3cc(F)c(F)cc3[nH]2)cc1OC 587926704 NKYMPIHBBFQZNE-JTQLQIEISA-N 332.350 4.205 0 1 EIAF COc1cc(F)cc(OC)c1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963114499 VLFIPQCUDXOFDA-QRWLVFNGSA-N 345.389 4.092 0 1 EIAF Fc1ccc(Cn2nnc3c(Br)cccc32)c(Cl)c1 1857549113 WLMLLCOGJVMWHZ-UHFFFAOYSA-N 340.583 4.035 0 1 EIAF CCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1 1857554678 GMIZJSJFNDLUOV-UHFFFAOYSA-N 332.403 4.077 0 1 EIAF CCN(CC)c1ccc2c(Nc3ccccc3)c(C=O)c(=O)oc2c1 349444 UNIBGSDKOFIUOL-UHFFFAOYSA-N 336.391 4.195 0 3 EIAF C[C@H]1CCCCN1C(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 36386612 FRVAFFCBUNGKIU-AWEZNQCLSA-N 340.398 4.093 0 3 EIAF O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccccc2)CC1 10342658 KTPPYJYRIASWLJ-UHFFFAOYSA-N 332.806 4.334 0 1 EIAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(C)c1=O 13536156 GZPBFHFNKRUBFK-UHFFFAOYSA-N 341.499 4.307 0 1 EIAF COc1cc(C[C@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)ccc1O 14760181 NNYAKQAKXHZMKI-GJZGRUSLSA-N 344.451 4.475 0 1 EIAF biogenic,in-vitro CN1[C@H]2CC[C@@H]1CC(OC(=O)c1ccccc1Oc1ccccc1)C2 26850395 XOFRBQUZZFTWNB-BYICEURKSA-N 337.419 4.261 0 1 EIAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Cc1ccc(Cl)cc1 28375511 ITXKLTRVWHOZFH-UHFFFAOYSA-N 333.840 4.124 0 1 EIAF Cc1cc(-n2ccnc2)c2ncc(CSCCc3ccccc3)n2c1 40938951 YONACTHAXSRHOZ-UHFFFAOYSA-N 348.475 4.304 0 1 EIAF Cc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc1 73157630 FWPKNIQDHIOSCZ-MRXNPFEDSA-N 348.427 4.281 0 1 EIAF NC(=S)N1N=C(c2ccccc2)C[C@H]1c1cccc2ccccc12 95582562 IPBTVEGUKBCCDA-IBGZPJMESA-N 331.444 4.235 0 1 EIAF CCCc1nn2c([C@@H](C)c3ccc(CC(C)C)cc3)nnc2s1 103218436 RSXOZEHOPYLQTN-ZDUSSCGKSA-N 328.485 4.489 0 1 EIAF CC[C@]1(C(=O)NCCc2cccc(Cl)c2)[C@@H](C)C1(Cl)Cl 103272514 MZXCPEUWSOWNLM-QMTHXVAHSA-N 334.674 4.219 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CCC1=CC(=O)OC1 238756527 FEOFLRVZBOQGQA-SFNSOECISA-N 332.440 4.113 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1[C@@H](F)C[C@H]1F 253664640 DYKGTVVHHZGYQR-FIDNZITISA-N 338.206 4.016 0 1 EIAF Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)[nH]1 299829777 LEMPGXYTVGSZLT-UHFFFAOYSA-N 347.205 4.218 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)C2 586888793 YLRJGSCCAJJOND-GARJFASQSA-N 336.313 4.100 0 1 EIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cccc(F)c3[nH]2)c1 586915793 RPNJILKXGFHWJV-UHFFFAOYSA-N 348.333 4.470 0 1 EIAF Cc1ccnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 587077453 YGDIITYMTYSDRA-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF Fc1cc(Br)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 587090790 XSAMAGRMFPQMFD-QMMMGPOBSA-N 349.484 4.388 0 1 EIAF Cc1ccc(CCc2nc3ccc(Br)c(C)c3[nH]2)cc1N 587251150 ZQDROIPCEGZXJP-UHFFFAOYSA-N 344.256 4.310 0 1 EIAF O=C(NCc1ccccc1)Oc1ccccc1C(=O)Nc1ccccc1 653700288 QWKOSGDZUIEDMN-UHFFFAOYSA-N 346.386 4.228 0 1 EIAF COc1ccc(-c2cc(CNCc3c[nH]c4ccccc34)on2)cc1 653721515 UZFRLUWQRSIMPY-UHFFFAOYSA-N 333.391 4.121 0 1 EIAF Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@@H]32)c1 653869235 IAICKVWVHDWAKX-RZUBCFFCSA-N 342.398 4.191 0 1 EIAF c1coc(CN2CCc3sccc3[C@@]23CCCc2ncccc23)c1 962706191 LJNQCBYXOZGGIL-FQEVSTJZSA-N 336.460 4.374 0 1 EIAF Cc1cc2cc([C@]3(C)NCCc4nc5ccccn5c43)oc2cc1C 962987310 VSZBZVNMRCRUCU-NRFANRHFSA-N 331.419 4.107 0 1 EIAF CN1C(=O)c2cccn2-c2cc(-c3ccc(F)nc3)ccc2C12CCC2 1857603739 WERHTMTXZBXBTB-UHFFFAOYSA-N 347.393 4.143 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@H](C=Cc1ccccc1)C2 1857622988 ODBOCRLDKFDGTG-RYFAJOAYSA-N 336.431 4.046 0 1 EIAF CN(CCCc1ccccc1)[C@@H]1CCc2cc(CO)sc2CC1 1911574449 UAMICTNBFXMAML-GOSISDBHSA-N 329.509 4.052 0 1 EIAF CC1=CCC[C@H](CO)CCC[C@@H](CO)CC[C@H](C(C)(C)O)CC1 2356455796 IMYZDXCIXGESSX-IPMKNSEASA-N 326.521 4.061 0 1 EIAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cccs2)cs1 61903089 SEKHBYDADZGDED-HNNXBMFYSA-N 332.425 4.236 0 3 EIAF O=C(O)[C@@H]1CCCN(CCCN(c2ccccc2)c2ccccc2)C1 13801403 QFJIJGFIINGZBJ-GOSISDBHSA-N 338.451 4.011 0 1 EIAF CSc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1 27853844 ZFMYIDVKAHJOOD-UHFFFAOYSA-N 325.462 4.440 0 1 EIAF Cc1ccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)cc1 30898001 WSNGEFNCPJRIMN-UHFFFAOYSA-N 328.393 4.184 0 1 EIAF COc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1Br 44603005 FUTNUMVFKNYKRT-VQHVLOKHSA-N 333.181 4.059 0 1 EIAF CCN(C(C)=O)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 49785436 VMJCLQJBRYQRGX-MGPUTAFESA-N 336.435 4.035 0 1 EIAF Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1 66074537 CYKFTVJFFDBXPR-UHFFFAOYSA-N 331.441 4.079 0 1 EIAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccccc1 71340422 SIXPGAYGILPSJO-OAQYLSRUSA-N 349.817 4.123 0 1 EIAF CCCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 84603469 QAMCCSUNKJYDJW-KBXIAJHMSA-N 348.878 4.416 0 1 EIAF COc1ccc2c(c1)CC[C@]1(CCCCN1Cc1ccccc1)C2=O 140513085 MWZILVDVEPKFJN-JOCHJYFZSA-N 335.447 4.249 0 1 EIAF C=Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 169343339 JTLBDKVSCLSEFX-UHFFFAOYSA-N 338.773 4.054 0 1 EIAF CCC(=O)[C@@H]1C(=O)CC[C@@H](c2cccc(Oc3ccccc3)c2)C1=O 231261395 PEPODUYJUFJZLV-FXAWDEMLSA-N 336.387 4.090 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(oc(C)c2C)CC2=CCC[C@@](C)(O)[C@]21C 238736842 KJSGMDITOKTFKQ-XKRPQAAYSA-N 344.451 4.481 0 1 EIAF COC(=O)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1OC 586879821 IKVOIIDNFDYYTK-UHFFFAOYSA-N 336.391 4.293 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C)c(C)c2[nH]1 586918695 ZROVWFHFKAPXJA-HRAATJIYSA-N 334.419 4.396 0 1 EIAF COc1ncc(F)cc1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587176348 PNEFLNBWMNNIRZ-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)n(C)c3ccccc13)O2 587379306 HUBFEEOUPUGWRS-INIZCTEOSA-N 340.810 4.429 0 1 EIAF Cc1cccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587394140 QTSJCYNTZPPXMS-LJQANCHMSA-N 345.402 4.049 0 1 EIAF CCSc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453349 RVQLNQISYLBTQD-UZLBHIALSA-N 340.444 4.470 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1cccc(N)c1)CC2=O 587472501 ISFAFXMCFWZBOF-FQEVSTJZSA-N 325.408 4.198 0 1 EIAF O=C1C[C@@H](c2c[nH]c3cccc(O)c23)Oc2c1ccc1c2CCCC1 587521078 AHGGYULDJVDVEQ-IBGZPJMESA-N 333.387 4.459 0 1 EIAF COC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522638 GKZXHUNSWNXSER-LJQANCHMSA-N 336.387 4.059 0 1 EIAF C[C@@]1(c2cnc3cccnc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523288 HKSVWUVYIQKWGK-QFIPXVFZSA-N 344.414 4.389 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cc(C(F)(F)F)ccc1=O 587630126 UHHLCTVFFYSMIS-UHFFFAOYSA-N 344.695 4.439 0 1 EIAF CCCCc1c(-c2ccc(N)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650696 RMMHKNUXCHRBFK-UHFFFAOYSA-N 342.464 4.163 0 1 EIAF CCCC[C@@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813790 PUQLQCWBYRPYBA-QFYYESIMSA-N 342.252 4.097 0 1 EIAF CCOC(=O)C[C@]1(CC(C)C)c2ccc(F)cc2C[C@H]2CCCN21 963113467 UMLOSAQXNHTGMF-YLJYHZDGSA-N 333.447 4.041 0 1 EIAF CC(C)(C)CO[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Cl)cc1 1857769215 YURYAKCSAAMEBX-CQSZACIVSA-N 330.211 4.148 0 1 EIAF CCC[C@]1(CC(=O)O)OCC[C@@H]2c3c(CC)ccc(Cl)c3N[C@H]21 1911578159 VKTVUCGOLRTKFR-NXOUGTEYSA-N 337.847 4.214 0 1 EIAF COc1ccc(CN2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1 13740358 JYLUNZOFMBWJPI-YDFBLROQSA-N 337.463 4.125 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O 14774392 YUGJHEXCGCZVTH-BTYIYWSLSA-N 344.451 4.374 0 1 EIAF biogenic COc1cccc(NC(=O)N2Cc3ccccc3Oc3ncccc32)c1 20413431 QNBBPLNRBXVSRB-UHFFFAOYSA-N 347.374 4.435 0 1 EIAF O=C(O)c1ccc(NCCCc2cccc(Br)c2)cc1 29205735 HBNDSCAXSMQPQY-UHFFFAOYSA-N 334.213 4.192 0 1 EIAF Brc1ccccc1-c1nc(CNCc2ccccc2)co1 72184034 VTGAAYBYSZIGEB-UHFFFAOYSA-N 343.224 4.394 0 1 EIAF Fc1ccc(CCNc2cncc(Oc3cccc(F)c3)n2)cc1 82068505 IMFNBFJBCZEDFD-UHFFFAOYSA-N 327.334 4.202 0 1 EIAF COc1ccc(Cl)cc1C(=S)Nc1ccc(Cl)cc1O 84741726 HHQOYEWOTWZHNV-UHFFFAOYSA-N 328.220 4.495 0 1 EIAF Fc1cccc(F)c1C1=N[C@H](c2ccc(OC(F)(F)F)cc2)CO1 98082146 RUWJQZCCJDFTJT-ZDUSSCGKSA-N 343.251 4.382 0 1 EIAF C[C@@H]1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144779958 LPALECKBLVYOGR-XIKOKIGWSA-N 333.353 4.311 0 1 EIAF CCS(=O)(=O)NCCCCCSc1ccc2ccccc2c1 473248556 OPANEYQXRVAEPR-UHFFFAOYSA-N 337.510 4.042 0 1 EIAF COc1ccc2nc(-c3nc4c(F)c(F)c(F)cc4[nH]3)sc2c1 587033995 BDBZYYSJNIJPRI-UHFFFAOYSA-N 335.310 4.266 0 1 EIAF Fc1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1-n1cccn1 587084374 LAPFSCPXJISDQC-UHFFFAOYSA-N 348.168 4.257 0 1 EIAF Cc1ccc2c3c(cc(Cc4cnn(C)c4)nc13)-c1ccccc1C2=O 587096335 HOJOQZWNAMYTDL-UHFFFAOYSA-N 339.398 4.079 0 1 EIAF Cc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Cl 587156705 PCWLCLCSXLVVKM-SFHVURJKSA-N 343.789 4.455 0 1 EIAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccn(C)n3)[nH]c12 587624264 IFOZUFPJPDBLQD-UHFFFAOYSA-N 341.720 4.275 0 1 EIAF Cc1cncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587775854 UIYOFYXDVFXCPY-QGHHPUGFSA-N 349.247 4.224 0 1 EIAF CCC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587813000 MNFGTRLGLIPIRZ-BJOHPYRUSA-N 342.252 4.169 0 1 EIAF Cc1ccc(-c2ccnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)o1 587874647 HGHNEXFBNLVXFK-UHFFFAOYSA-N 334.310 4.143 0 1 EIAF C[C@@H](O)c1cnc([C@H]2NCCc3cccc(-c4ccccc4)c32)s1 962673079 ZOCNQHQPADTVAQ-YJYMSZOUSA-N 336.460 4.099 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2ncco2)N1 962959015 VKKOTYJGYYAPHL-AOMKIAJQSA-N 343.430 4.372 0 1 EIAF COC(=O)Nc1noc2cc(-c3c(C(C)(C)C)n[nH]c3C)ccc12 1772634821 ZDKRSVDQOYCIDN-UHFFFAOYSA-N 328.372 4.002 0 1 EIAF CN(C/C=C/c1ccc(Cl)cc1)Cc1ccc2c(c1)OCCO2 1857536857 IJPWGFTUCJMWIT-NSCUHMNNSA-N 329.827 4.256 0 1 EIAF CCCCc1cc2c(=O)cc[nH]c2cc1OCCOc1ccccc1 1857556973 BSMJDYKRMQFWJS-UHFFFAOYSA-N 337.419 4.329 0 1 EIAF Oc1ccc(-c2ccnc(-c3cc(-c4ccc(O)cc4)[nH]n3)c2)cc1 1857656187 IVQBTGUVHRYQCL-UHFFFAOYSA-N 329.359 4.217 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(oc(C)c2C)CC2=CCC[C@@](C)(O)[C@]21C 2356497317 KJSGMDITOKTFKQ-HMXCVIKNSA-N 344.451 4.481 0 1 EIAF C[C@@H]1C=CCCO[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 36381884 OMRBJTSGXXMHGP-QVKFZJNVSA-N 337.394 4.180 0 3 EIAF COc1ccc(-c2csc([C@](C)(O)c3cccc(OC)c3)n2)cc1 61904372 JMVHQZWYTOQEKZ-LJQANCHMSA-N 341.432 4.083 0 3 EIAF CCCCC/C=C/C/C=C/C[C@H](O)[C@@H](O)C/C=C/CCCC(=O)O 12495904 DCJBINATHQHPKO-HHTYWKFDSA-N 338.488 4.382 0 1 EIAF Brc1ccc(Nc2nc3ccccc3n3cncc23)cc1 13441481 WYDZWSMRGYNLKH-UHFFFAOYSA-N 339.196 4.389 0 1 EIAF O=C(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1 13473865 IHYHXNKLWLTICM-UHFFFAOYSA-N 329.390 4.102 0 1 EIAF CCS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 28711878 KJFJVCVWANZFNK-UHFFFAOYSA-N 329.343 4.134 0 1 EIAF FC(F)(F)[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCO1 28954280 WPHYHZVDKGJZCW-NSHDSACASA-N 325.117 4.438 0 1 EIAF O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2c(Cl)cccc21 40380465 OFGIFYYTDNRSJK-UHFFFAOYSA-N 339.700 4.088 0 1 EIAF Cc1ccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1 40874103 NSAUKFVGNKVMSE-JOCHJYFZSA-N 337.463 4.284 0 1 EIAF Cc1cc(CNCCCCCNCc2ccc(Cl)cc2)ccc1O 45166913 INQRQXHQWAIYAO-UHFFFAOYSA-N 346.902 4.404 0 1 EIAF Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3)C2)cc1C 53242733 YHZHJQIHWHUKCP-KRWDZBQOSA-N 343.883 4.352 0 1 EIAF O=C1c2ccccc2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 71341299 STAUHFKKYJZTIX-UHFFFAOYSA-N 326.566 4.447 0 1 EIAF O=C(NC1CC1)c1cccc(-c2ccc3c(c2)NC(=O)C32CCCC2)c1 72108925 XUSYCXBWVZIJBW-UHFFFAOYSA-N 346.430 4.010 0 1 EIAF CC1(C)[C@H]2CC[C@@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@@H]1C2 72114619 ONBSSNHALHDLOT-DCAQKATOSA-N 326.362 4.298 0 1 EIAF O=C(O)c1cn(-c2ccc(-c3ccccc3)cc2)c2ccccc2c1=O 96906827 RQLGJRRMRIPLQC-UHFFFAOYSA-N 341.366 4.356 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101152271 RJSPORZIBKRWHU-REPLKXPHSA-N 340.423 4.048 0 1 EIAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(N3CCCCC3)cc21 144724939 VMQZDICKSLUXDZ-SFHVURJKSA-N 333.353 4.456 0 1 EIAF O=C(O)C1CN(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 145607178 OMPONMIHTSIPMX-UHFFFAOYSA-N 336.218 4.177 0 1 EIAF N=C(N)N1[C@H](CCc2ccccc2)CC[C@H]1Sc1ccccc1 211622963 LLMUOICAETXIKH-SJLPKXTDSA-N 325.481 4.095 0 1 EIAF Cc1ccc(-c2[nH]c3nc(N)nc(N)c3c2-c2ccc(C)cc2)cc1 299831486 JAPIVVBUBSUJEZ-UHFFFAOYSA-N 329.407 4.073 0 1 EIAF C[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccn1 299863179 OSZBOEMUSHMTHQ-MRVPVSSYSA-N 335.230 4.022 0 1 EIAF Cc1nc(-c2c[nH]cc2-c2nc3c(F)cnc(Cl)c3[nH]2)cs1 587022253 WMAXYXNDOVHMBI-UHFFFAOYSA-N 333.779 4.177 0 1 EIAF Clc1c[nH]c2nc(/C=C/c3cccc(Cl)c3Cl)nc-2n1 587054180 MJIBWBCLGBBNDC-SNAWJCMRSA-N 325.586 4.435 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 587070679 TWVOQUAFLFWZHS-JTQLQIEISA-N 342.782 4.322 0 1 EIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587148883 DNFFVVGCUSNXHE-SNVBAGLBSA-N 346.333 4.142 0 1 EIAF Fc1cncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587177268 SUYTVOZJRSHPRW-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(Cl)cccc31)O2 587380211 QSKYKMURWQDLHR-IBGZPJMESA-N 343.810 4.264 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3nc1Cl)O2 587380445 UWASSMXZSWABKE-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(C)(C)C)cc1)O2 587399764 JYHIGFQRRBDCHN-GOSISDBHSA-N 325.408 4.461 0 1 EIAF CCc1cccc(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423712 VONWKZBWPZRCPS-BFUOFWGJSA-N 328.795 4.400 0 1 EIAF Cc1ccc2nc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 587516046 UECCGNFZAJVXMI-QFIPXVFZSA-N 346.430 4.402 0 1 EIAF O=C1C[C@H](c2ccc(-n3ccnc3)cc2)Oc2c1ccc1c2CCCC1 587516369 RVVFNZRFHXUMRW-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF C[C@@]1(c2cccc3[nH]ncc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528187 XVTJOQSJDDKNRD-NRFANRHFSA-N 332.403 4.322 0 1 EIAF O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 587633230 VZDPGXNWFMHNSU-UHFFFAOYSA-N 342.757 4.281 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)ccc(C)c4[nH]1)(C3)C2 587950918 OXHGOBVNNUTXJM-XBLGPDGASA-N 338.451 4.333 0 1 EIAF O=C(CCc1ccccc1)c1nc2c(F)cc(Br)cc2[nH]1 587953619 NSTPEGLHRFFIMJ-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF CCCC/C=C/c1nc2cccc(I)c2[nH]1 587966951 ZRMXJBOHWYCVMX-WEVVVXLNSA-N 326.181 4.371 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)s1)N(C)[C@H](C)C2 962638660 XEZSABXRPFPQIH-BMLIUANNSA-N 337.872 4.385 0 1 EIAF COc1cccc(-c2nc(Nc3ccc(O)cc3)c3cccnc3n2)c1 1772602809 BUDGFSHXCGLJRQ-UHFFFAOYSA-N 344.374 4.150 0 1 EIAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCC(C)C 776336 HKJQDCUUQAUINV-UHFFFAOYSA-N 344.455 4.424 0 1 EIAF COc1ccccc1-c1nnc(NC(=O)c2cccc3ccccc23)o1 4276023 AWTJFSQBNTTZEI-UHFFFAOYSA-N 345.358 4.151 0 1 EIAF CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCC[C@@H](C)C1 4562976 FDTKVDVIFLOTKD-CQSZACIVSA-N 342.439 4.047 0 1 EIAF CC(=O)OCC[C@@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)CCC[C@@]12C 14765029 DLHLVWPKWDVFSP-HBFSDRIKSA-N 336.472 4.282 0 1 EIAF biogenic C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@@H]1OCC2=O 40698225 COHCBZXNSQMOML-XMGTWHOFSA-N 340.463 4.422 0 1 EIAF CCOC(=O)C1=C(O)/C(=C\c2ccc(Cl)cc2Cl)N=C1C 103522245 YDCQDIDHADBESH-WUXMJOGZSA-N 326.179 4.184 0 1 EIAF CC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccccc1 142143288 LYZCOOMXZQTHIB-JKSUJKDBSA-N 340.427 4.021 0 1 EIAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@@H](C)C2)sn1 169302117 KXKZCELYSNODQC-TWOQFEAHSA-N 343.540 4.347 0 1 EIAF CCNC[C@@H]1C[C@H]2CC[C@H]1N(c1ccnc3cc(Cl)ccc13)C2 253665779 MESUMNNLNBOPTM-QWQRMKEZSA-N 329.875 4.103 0 1 EIAF C[C@H]1CCO[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C1 586917860 WTSVNWJTCUBLLJ-CPCISQLKSA-N 329.625 4.466 0 1 EIAF C[C@]12C[C@@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991706 VUGFDLZRRMGACN-SAHAZLINSA-N 327.383 4.376 0 1 EIAF Cc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1C 587005568 KTDUTDLUVPZMGV-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF COc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587076308 VNSCPVQTBLZJNB-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF O=C(c1ccccc1)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090164 MOWDZVXZIYLGHM-UHFFFAOYSA-N 349.340 4.329 0 1 EIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccnc(O)c3[nH]2)c1 587159215 NBGYCNAIISUZPJ-UHFFFAOYSA-N 349.365 4.069 0 1 EIAF CC[C@@]1(c2c(F)ccc(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 587382860 UXVUQDAVCIJKIT-SFHVURJKSA-N 335.325 4.265 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O 587424148 XQMMBFNOKONTHQ-SCLBCKFNSA-N 346.329 4.094 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@H](C)CCC)CC2=O 587486652 SHFBOUKCABQCCG-ZUOKHONESA-N 348.439 4.191 0 1 EIAF CC(C)(Cc1csc(-c2ccccc2)n1)NC(=O)N1CCCCC1 1772655991 IFQJQFVELLDIQP-UHFFFAOYSA-N 343.496 4.327 0 1 EIAF C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@@]4(C)CCC[C@]32COC4=O)C[C@@]1(C)O 2356333783 VVKQWVWKEMJKNY-YNDQRGCFSA-N 334.500 4.323 0 1 EIAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@]21C 2356747439 UINDYEKBRZRPSX-KQYRDANPSA-N 332.484 4.469 0 1 EIAF Cc1ccc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc1 13492451 LAXPDJAVTMZKAQ-OAHLLOKOSA-N 339.247 4.475 0 1 EIAF C=C[C@@H](OC(=O)[C@@H](C)CC)c1ccc(OC(=O)C(C)C)c(OC)c1 15113388 SUONLOMSEGBVDU-DZGCQCFKSA-N 334.412 4.073 0 1 EIAF biogenic Fc1ccc([C@H](NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1 20988525 NUAVMMOWQHHUBZ-SFHVURJKSA-N 337.398 4.497 0 1 EIAF O=C1[C@H]2[C@H]3CCC[C@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 28353556 KZFJZNKZNIRSKS-HGSJOUDDSA-N 337.341 4.021 0 1 EIAF COc1ccc2c(c1)S[C@@H](C(=O)O)CC(c1ccc(F)cc1C)=N2 28976816 QFJZFLKRPWVTSW-QGZVFWFLSA-N 345.395 4.213 0 1 EIAF COC1=CC[C@@H](CCN2C(=O)CS[C@H]2c2ccc(C)c(C)c2)C=C1 38147808 SDSADBCGGXETBG-JXFKEZNVSA-N 343.492 4.374 0 1 EIAF COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(C)cccc3C)c1C2 45290675 GZUVCNPDJISLKF-UHFFFAOYSA-N 349.434 4.227 0 1 EIAF CN(C(=O)CC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 49113092 WXVYEASXLCTSOG-UHFFFAOYSA-N 342.870 4.360 0 1 EIAF COc1ccc(OC)c(CCNc2cc(-c3cccc(C)c3)ncn2)c1 82161472 XFXICESIZDPIGN-UHFFFAOYSA-N 349.434 4.124 0 1 EIAF CC(=O)Oc1ccc2c(c1)CC[C@]1(C)[C@@H]2CC[C@]2(C)C(=O)CC[C@H]21 95909217 PYRGOWFQJKEJMV-JYRKZWEQSA-N 326.436 4.427 0 1 EIAF biogenic,in-vitro CCCC[C@H]1C[C@@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 100800672 VGUKOKATWNDEOI-XIYVOTBMSA-N 343.511 4.307 0 1 EIAF COC(=O)C/C=C\[C@H](C)[C@@H](OC)c1cc(F)ccc1Br 169330143 RPBLHNKNTOKICO-LQRZNIRHSA-N 345.208 4.031 0 1 EIAF CCCC(=O)c1c(O)ccc([C@@H]2C[C@H](C)Oc3cccc(O)c32)c1O 209972113 IJAFYCQHLNAYDS-AAEUAGOBSA-N 342.391 4.089 0 1 EIAF C[C@H]1CCCCN(C)C(=O)CCC[C@@H](C)C[C@H](C(C)(C)C)OC1=O 299837286 OHFXMZSELAZKMD-IXDOHACOSA-N 339.520 4.419 0 1 EIAF Cc1c(Cc2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1 299868623 RYCDSPNNYWGKMH-UHFFFAOYSA-N 348.450 4.226 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(Br)c3[nH]2)cc1 586887544 IXHVNZANTSSUGF-MEDUHNTESA-N 345.240 4.471 0 1 EIAF Cc1nccc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc12 586995900 KYXPBRHZQYXBMS-UHFFFAOYSA-N 346.228 4.343 0 1 EIAF Oc1ccc2scc(-c3nc4cncc(Br)c4[nH]3)c2c1 587032413 KDPZZXOYAVFIMQ-UHFFFAOYSA-N 346.209 4.308 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587088408 MRYGNLGDAMLHRR-ZCFIWIBFSA-N 333.169 4.014 0 1 EIAF Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144605 ONZSBTKBCPOILU-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF Nc1ccc(C(=O)CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587251199 BPCFVAVIKXJHJR-UHFFFAOYSA-N 334.206 4.267 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc([C@H](C)OC)cc1)[C@@H](C2)C3=O 587438401 FJOBIIOHBTVXGI-ODLKPZKQSA-N 338.403 4.065 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)cn1)CC2=O 587468711 AINDJIUOLRYOAB-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CC(C)SC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587842636 VFZJABILWUFKPR-LKFCYVNXSA-N 332.282 4.305 0 1 EIAF CSCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587842760 GCBFORVMKIARIU-XPTSAGLGSA-N 332.282 4.091 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(Cl)c(C)c1C 587871513 YAOOMDPLERUVRD-UHFFFAOYSA-N 346.793 4.137 0 1 EIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587932689 YIMUTWXARCRPQM-QGHHPUGFSA-N 331.778 4.204 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(C(F)(F)F)cn1 963111753 REJHLGCNDHIUKV-RHSMWYFYSA-N 336.332 4.349 0 1 EIAF COC[C@@H]1c2c(-c3ccncc3)c(-c3cccc(C)n3)nn2CC1(C)C 1857652659 RUUMQGIGKGSSDJ-MRXNPFEDSA-N 348.450 4.085 0 1 EIAF CC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)c(=O)n2c1CCC2 203461093 OHWVEBFXIGCDQL-UHFFFAOYSA-N 345.398 4.456 0 3 EIAF Nc1ccc2c(Cl)nn(-c3ncc(C(F)(F)F)cc3Cl)c2c1 5127369 XNONJAJAMDZDNA-UHFFFAOYSA-N 347.127 4.328 0 1 EIAF CNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13491311 AQEQDRMOPNZVGH-UHFFFAOYSA-N 332.359 4.052 0 1 EIAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CCCc3ccccc32)CC1 13561280 VCXYFBSSIJRBFS-JOCHJYFZSA-N 346.474 4.118 0 1 EIAF COC(=O)[C@H](C)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 14588290 YWRLUOURIMRHED-ASSNKEHSSA-N 344.451 4.491 0 1 EIAF biogenic Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2ccccc2)co1 28525629 JTLATYLNDGVHFD-UHFFFAOYSA-N 348.811 4.104 0 1 EIAF COc1cc([C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 33832947 GMXMKSFJQLFOSO-YLYZPZNOSA-N 344.407 4.200 0 1 EIAF CN(C)CCCc1c[nH]c2ccc(NC(=N)c3cccs3)cc12 34805847 SLZDCHGYGQWGAB-UHFFFAOYSA-N 326.469 4.161 0 1 EIAF CN(CC1CCNCC1)C(=O)c1ccccc1-c1cccc(Cl)c1 49034458 YTWBHSRLFOUXQV-UHFFFAOYSA-N 342.870 4.079 0 1 EIAF COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O 63540156 PIYLMTVHAQUHKQ-UHFFFAOYSA-N 344.370 4.450 0 1 EIAF COc1cc(/C(=C/c2ccc(Cl)cc2)[C@@H](C)O)cc(OC)c1OC 71319307 SPNXRTVAWAVUAX-GFQQVXNGSA-N 348.826 4.287 0 1 EIAF COc1ccccc1C(=O)OC[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935076 MUSITXMPJHJVSQ-PKQISHPWSA-N 346.467 4.065 0 1 EIAF Cc1nc2ccc3c(=O)cc(-c4ccc(N5CCCC5)cc4)oc3c2[nH]1 103027233 VMFCUJZXEWDIAQ-UHFFFAOYSA-N 345.402 4.245 0 1 EIAF Cc1c(CC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1 103239838 KSFDKGYUJXZKTH-UHFFFAOYSA-N 337.419 4.454 0 1 EIAF CC(C)(C)c1ccc(C(=O)Nc2c(O)oc3ccccc3c2=O)cc1 103568414 WPNDRDBEBQAXDV-UHFFFAOYSA-N 337.375 4.048 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@H]12 257702708 YQNLDLVKFNZFTI-JZEYQUPZSA-N 332.440 4.105 0 1 EIAF endogenous,in-man FC(F)=C(C[C@H]1CCCN1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587088409 MSBBKKVEJSIKHP-MRVPVSSYSA-N 349.278 4.471 0 1 EIAF Fc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1F 587120894 YZKCVTJRLGPXNV-UHFFFAOYSA-N 338.239 4.403 0 1 EIAF Cc1ccc(-n2nnc(-c3cc4c5c(cccc5n3)CC4)c2C)cc1 587210662 DGWKQTJOIRSEPD-UHFFFAOYSA-N 326.403 4.198 0 1 EIAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381897 MWLDZLNUYXZCLS-IBGZPJMESA-N 347.361 4.135 0 1 EIAF CCOC(=O)C[C@@]1(C2(C)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522302 GXVZOWDOJVQYIL-OAQYLSRUSA-N 342.435 4.023 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CC1)CC2 587604950 WDZSRHVHADYKGP-KRWDZBQOSA-N 336.387 4.447 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587785725 OIHOGMLTUBLBFK-STQMWFEESA-N 326.783 4.160 0 1 EIAF Brc1cnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587961066 PNBFNUNTDVVRRY-AAEUAGOBSA-N 328.213 4.067 0 1 EIAF FC(F)(F)C1(N=c2cc(-c3ccncc3)[nH]c3cnccc23)CCC1 1857563863 LQDZLEIPLPPQBB-UHFFFAOYSA-N 344.340 4.011 0 1 EIAF COc1ncc(C[S@@](=O)C(c2ccccc2)c2ccccc2)s1 1857604676 VFUVDEGVTTXPQK-HSZRJFAPSA-N 343.473 4.190 0 1 EIAF COc1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1 1857610360 VCUGZDSNLIQZIL-UHFFFAOYSA-N 346.386 4.200 0 1 EIAF CCOC(=O)C(C)(C)Oc1cccc(CCCCCCCCO)c1 2356846334 OMXAYACYQBTOQS-UHFFFAOYSA-N 336.472 4.283 0 1 EIAF N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 26480486 FFTTVUHJOUFETK-UHFFFAOYSA-N 327.516 4.038 0 1 EIAF Cc1ccc(-c2ccncc2[C@H]2SCC(=O)N2CC(C)C)cc1 28819585 HVCMFCYIEDMYJS-LJQANCHMSA-N 326.465 4.287 0 1 EIAF COC(C)(C)[C@@H](O)CC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29254869 AZTBGOWEAIBOCC-LGDADOCUSA-N 326.477 4.033 0 1 EIAF COc1ccc(Cn2ccc3cc(OC)c(OC)c4nccc2c34)cc1 29476989 LOENHZQZTMYTPF-UHFFFAOYSA-N 348.402 4.264 0 1 EIAF Cc1cc(Nc2nc(N(C)c3ccccc3)nc3ccccc23)n[nH]1 33993669 HVHBXBDAWFYVOJ-UHFFFAOYSA-N 330.395 4.173 0 1 EIAF Cn1c(-c2ccccc2)c(/C=C/c2ccnc(N)n2)c2ccccc21 40980383 XHEKBBYVJPMTBX-VAWYXSNFSA-N 326.403 4.388 0 1 EIAF C/C=C/c1ccc(OCCNC(=O)c2ccc(Cl)cc2)c(OC)c1 49832188 KADMZEPDMZDBKH-ONEGZZNKSA-N 345.826 4.191 0 1 EIAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccs1 64491789 XGTZBGNNSZZVLK-QZTJIDSGSA-N 329.465 4.059 0 1 EIAF in-vivo Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 82203901 NXMJLPDLXZFTEH-MXASKKJJSA-N 346.519 4.025 0 1 EIAF Clc1cc(Cl)cc(CNCCCNc2nc3ccccc3[nH]2)c1 95920894 ZITVWTWUGXKZFV-UHFFFAOYSA-N 349.265 4.462 0 1 EIAF in-vitro CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 103530044 SDBNKYOFOAJKOV-LYHOESIGSA-N 349.390 4.243 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2ccccc2F)C1 169704925 MNXPYZUSFURMKS-STQMWFEESA-N 338.386 4.160 0 1 EIAF CCN(CC)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 473130924 MNGOFMXNXZCRBX-UHFFFAOYSA-N 337.419 4.214 0 1 EIAF CCOc1n[nH]c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1Cl 587065553 UGJMTFWTWOLGAZ-UHFFFAOYSA-N 331.590 4.312 0 1 EIAF Cc1cncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587075417 IYOYPIZBCUCSHW-INIZCTEOSA-N 326.831 4.257 0 1 EIAF O=C(CCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cn1 587082629 UMAGSIDGROJDFO-UHFFFAOYSA-N 334.206 4.470 0 1 EIAF COc1ccc(-c2nc3c(Cl)ccnc3[nH]2)c(C(F)(F)F)c1 587095667 PRHNVEFOXSXMMB-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF Cc1cc(Br)cc2nc(/C=C\c3ccc(N)cc3)[nH]c12 587251987 SQULDBOYALFVEY-DAXSKMNVSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCF)cc1)O2 587382888 PFUNSLBVQIZWDO-GOSISDBHSA-N 329.371 4.022 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)s1)[C@@H](C2)C3=O 587454586 YYMJBWNAJQGGNN-IFXJQAMLSA-N 349.411 4.307 0 1 EIAF CCCCn1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 587475328 MFCUIXKLISOSCD-GOSISDBHSA-N 328.412 4.048 0 1 EIAF COc1cc(F)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506551 UCPNMUDEKYUUCK-IBGZPJMESA-N 326.367 4.420 0 1 EIAF Cc1nc2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516800 ZWBNKVONQDOVSM-SFHVURJKSA-N 332.403 4.228 0 1 EIAF Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2c(C)cc(Cl)cc12 587624364 ICACHJSMCGCIIT-UHFFFAOYSA-N 337.757 4.340 0 1 EIAF CCC(=O)C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814541 UBKFPUGBOHPYRU-QLJPJBMISA-N 342.252 4.097 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC)ncc3[nH]2)cc1 587938120 SQNMLUOPSWVHMN-HXUWFJFHSA-N 345.402 4.155 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(-n2cncn2)cc1 963226257 HEYRHYADGNDOOI-VGSWGCGISA-N 346.478 4.187 0 1 EIAF Oc1ccc2c(c1)[C@](c1ccccc1C(F)(F)F)(C1CC1)NCC2 963341974 PGRAQKKOMNNLPH-GOSISDBHSA-N 333.353 4.210 0 1 EIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(Cl)cc12 1772583999 ZBEQZRMGMFYEQT-BIPCEHGGSA-N 330.859 4.042 0 1 EIAF C[C@@H](Oc1cc2onc(CCC(=O)O)c2cc1Cl)c1ccccn1 1772644623 WPAHVUADNLXSOM-SNVBAGLBSA-N 346.770 4.033 0 1 EIAF CO[C@@H]1CCCc2[nH]c(=Nc3ccccc3C(F)(F)F)sc21 1857774855 FYTZKBANVSGSKP-GFCCVEGCSA-N 328.359 4.351 0 1 EIAF COCC(C)=CCc1cc(C=CC(=O)O)cc(CC=C(C)C)c1O 2356631752 NBROPRGEZLJVAB-UHFFFAOYSA-N 330.424 4.134 0 1 EIAF COC(=O)c1nc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1 26666464 MYVKPMCYUPNLEI-UHFFFAOYSA-N 347.440 4.180 0 1 EIAF CC(C)CN1C(=O)CS[C@H]1c1ccncc1-c1ccc(F)cc1 28819659 FQUHICGRSBYGNH-SFHVURJKSA-N 330.428 4.118 0 1 EIAF CC(C)(C)c1ccc2c(c1)C[C@@H](NC(=O)Nc1cccc3[nH]ncc13)C2 28972915 JMWSQSYRBYDBND-INIZCTEOSA-N 348.450 4.149 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(C=C(O)/C(=C/C(=O)O)CC3)CC[C@@H]12 38695163 CISIZTZWNFTWTO-PHJKJCEGSA-N 346.423 4.221 0 1 EIAF COc1cc(Cc2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1OC 95581305 NWEPXUSPSRIVKU-UHFFFAOYSA-N 338.407 4.002 0 1 EIAF CC[C@]1(C(=O)NCCc2ccc(Cl)cc2)[C@H](C)C1(Cl)Cl 103295409 DXJLAQORBQZBCH-IINYFYTJSA-N 334.674 4.219 0 1 EIAF C[C@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(OC(=O)c3ccccc3)c1)C2 137957861 MEXFRROJEZVINA-GTCCEBARSA-N 335.447 4.420 0 1 EIAF CC(C)C[C@@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 142050558 KYFXTTZDXSYKRG-GOEBONIOSA-N 340.427 4.021 0 1 EIAF COC(=O)C1=CC=C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(O)C1 238758369 YNSMEBFHPSTPJP-DPDLHNOKSA-N 344.451 4.055 0 1 EIAF NC(=O)c1cccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048253 GOUFKVLNVMPLED-VHSXEESVSA-N 346.217 4.240 0 1 EIAF Oc1nccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095407 XRUDTNAMUAAIND-UHFFFAOYSA-N 347.218 4.368 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC(=O)C[C@H]41)-c1ccccc1C2=O 587101175 ROXPOAZCPRXPKK-SJCJKPOMSA-N 339.394 4.373 0 1 EIAF CN1CCC[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587103864 BVRVPFBLJMAMSD-CQSZACIVSA-N 328.415 4.255 0 1 EIAF COCCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1OC 587213152 YLZMRZOJQDOOKP-UHFFFAOYSA-N 335.403 4.034 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Cl)nc1Cl)O2 587413441 OBCGBOMLTDIRFJ-SECBINFHSA-N 329.208 4.047 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4C[C@@H]1C)[C@@H](C2)C3=O 587423552 VQGUVTIDWOSPSY-HEBDSEGYSA-N 340.806 4.184 0 1 EIAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516390 SAXPADJQMRXXKT-IBGZPJMESA-N 332.403 4.159 0 1 EIAF COc1cccc2c1C[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523479 JCLGCINHMCWOPW-HSZRJFAPSA-N 348.442 4.467 0 1 EIAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587586849 KHVLCBBUBIIGNM-GHTZIAJQSA-N 347.370 4.053 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C=O)N1 587819441 MNWMTOKYSLHPNF-BMLIUANNSA-N 348.215 4.024 0 1 EIAF CCS(=O)(=O)c1ccc2nc(/C=C(/C)C3CCCCC3)[nH]c2c1 587969558 ZITDNYMSHJZIKH-QBFSEMIESA-N 332.469 4.340 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCCc2ccc(N)cc21 963269238 GRHVLRQKBKNANC-HXUWFJFHSA-N 342.870 4.047 0 1 EIAF Clc1ccc2c(c1)CCN[C@H]2c1csc(-c2cccnc2)n1 963378487 FXRBYRPSEOKNIP-MRXNPFEDSA-N 327.840 4.094 0 1 EIAF Cc1cnn(C)c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)[nH]c12 1772616308 NAHZVDUSKYOCRO-UHFFFAOYSA-N 347.422 4.421 0 1 EIAF CC1(C)C(=O)N(c2ccccc2)c2nc(Nc3ccccc3)ncc21 1772623073 WSEYPLGYXGUCPX-UHFFFAOYSA-N 330.391 4.176 0 1 EIAF COc1ccccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772638158 VOILKLABQYJNTN-MRXNPFEDSA-N 339.416 4.425 0 1 EIAF O=c1nc(C=Cc2ccc(Br)cc2)oc2ccccc12 1857592132 MIWSMVFRSRGVDM-UHFFFAOYSA-N 328.165 4.121 0 1 EIAF CC[C@H](C)C=C[C@@H]1c2ccoc2C[C@@H]2CO[C@H](CCC(=O)OC)C[C@@H]21 2356323448 LBBXLAVURLOGQS-BMGDNIKJSA-N 346.467 4.496 0 1 EIAF CC(=O)OC[C@@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@H]3CC1)C2 2356663766 UZCNEKYYWBFMSI-MCSHHISBSA-N 346.511 4.491 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)c2c(c(O)c3occ(C)c3c2C)C1=O 2356691589 PCKTVUSCRGCLKU-GXFFZTMASA-N 342.391 4.323 0 1 EIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(Cl)cc(Cl)c1 5886260 ISSUXDQDSZZITF-UHFFFAOYSA-N 339.266 4.209 0 1 EIAF c1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)o3)o2)c1 13607136 CNKITPGTFUUCMI-UHFFFAOYSA-N 331.375 4.286 0 1 EIAF Nc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc21 13757268 KCHPRNPGRGELBS-UHFFFAOYSA-N 349.411 4.106 0 1 EIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 13782815 VQMYCZUUGWZZTK-UHFFFAOYSA-N 349.474 4.260 0 1 EIAF CNS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1 26246943 ZOMDFMPSBXKRHT-UHFFFAOYSA-N 347.436 4.129 0 1 EIAF O=C(c1ccc2ncsc2c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 96169421 WRUZYLJYDDVULR-WMZOPIPTSA-N 334.444 4.241 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(F)cccc3CC[C@@H]21 100620820 IFAMBMVGFAAIHL-PXNSSMCTSA-N 348.421 4.419 0 1 EIAF Clc1ccc([C@H]2OCCc3c2noc3CO[C@H]2CCCCO2)cc1 103188421 YHHJJXKJZHSDPB-FUHWJXTLSA-N 349.814 4.033 0 1 EIAF Brc1ccc2nc3cc(Nc4ccccc4)ncn3c2c1 103266962 NXOVFROFMLIDMP-UHFFFAOYSA-N 339.196 4.389 0 1 EIAF CCNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cc1 149109351 KKZWUWREXYAJBM-QGZVFWFLSA-N 340.398 4.043 0 1 EIAF CCOC(=O)N1CCC(OCc2ccccc2)(c2ccccc2)CC1 169322425 PMFVLVCDVHFATM-UHFFFAOYSA-N 339.435 4.351 0 1 EIAF CC[C@@]1(C)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 169324251 IRFDHIJPPZIBPX-UYAOXDASSA-N 325.408 4.208 0 1 EIAF c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(C2CC2)o1 204776276 UXEVZFRUXSMUKW-UHFFFAOYSA-N 343.390 4.430 0 1 EIAF CNc1nc(Nc2cc(C)c(C#N)cc2Cl)ncc1C(F)(F)F 205925943 XYPLAVKOQQVFQI-UHFFFAOYSA-N 341.724 4.114 0 1 EIAF O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1 299835233 LAKQOAUEGYDUHQ-SIKLNZKXSA-N 344.414 4.057 0 1 EIAF Cc1c(CCN)c2cc(Br)ccc2n1Cc1ccccc1 473084735 UIIVMJHLHWWRIQ-UHFFFAOYSA-N 343.268 4.262 0 1 EIAF Fc1ccc(-c2nc3ncccn3c2-c2nc3cc(F)ccc3[nH]2)cc1 473152916 XGLWLBMECDXXLR-UHFFFAOYSA-N 347.328 4.218 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586911918 MZEBNOJWXPAIAP-LPHOPBHVSA-N 334.419 4.467 0 1 EIAF Nc1c(F)c(F)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1F 587137062 RBYHIWLCFCDOHF-UHFFFAOYSA-N 331.219 4.248 0 1 EIAF CSc1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165266 NZRBFQXKUCMDBD-UHFFFAOYSA-N 338.411 4.336 0 1 EIAF COc1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587197610 KJQYNKJRDQYROB-OAHLLOKOSA-N 333.432 4.136 0 1 EIAF Nc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc2ccccc12 587253095 ABBWHHLSOCULBH-UHFFFAOYSA-N 331.375 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(F)cc3C1)CC2=O 587472591 RTVJHTOQPBSPSU-NRFANRHFSA-N 340.394 4.377 0 1 EIAF CCOC1=CCCC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962698686 JEDHUPGVTWONBR-QRWLVFNGSA-N 347.499 4.489 0 1 EIAF C[C@@]1(c2ccc(Cl)cc2Cl)NCCc2c(C(=O)O)cccc21 963126062 VRISEERIHXSWFA-QGZVFWFLSA-N 336.218 4.101 0 1 EIAF COc1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1772655381 WGXCXADDONVRHL-UHFFFAOYSA-N 348.402 4.109 0 1 EIAF CC=CC(=S)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356397685 HHPQBRSGRYPIDJ-XBFIUCKLSA-N 334.481 4.363 0 1 EIAF COc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2cccs2)c(F)c1 13596438 LSKJOVKAOHMSKG-LBPRGKRZSA-N 345.443 4.479 0 3 EIAF CCO[C@H]1CCCc2oc(-c3ccc(N(C)C)cc3)c(C(=O)OC)c21 95568082 QZZYXRQOPQOWFU-HNNXBMFYSA-N 343.423 4.213 0 3 EIAF C1=C(c2ccccc2)NC2=N[C@H]3CCCC[C@@H]3N2[C@@H]1c1ccccc1 5832788 KUARHCORKHWPNE-JBACZVJFSA-N 329.447 4.355 0 1 EIAF CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)OCC(F)(F)C(F)(F)F 28371441 XSANZUMGYVBQLE-YHROSDCASA-N 342.304 4.069 0 1 EIAF Cc1ccc(-c2cnccc2[C@H]2SCC(=O)N2CC(C)C)cc1 28819668 VAQRYOMAJSIIGC-LJQANCHMSA-N 326.465 4.287 0 1 EIAF COc1cc(-c2nccc3c4ccccc4n(C)c23)cc(OC)c1OC 40952080 UFVBNXSAXYYDPX-UHFFFAOYSA-N 348.402 4.419 0 1 EIAF Cc1cccc2c(=O)n(-c3ccccc3Br)c(=S)[nH]c12 43198370 JHZBCNBXKITSRK-UHFFFAOYSA-N 347.237 4.119 0 1 EIAF COC(=O)c1nc(-c2ccc3ccccc3c2)n(-c2ccc(F)cc2)n1 72178725 DESOFNBSESICQP-UHFFFAOYSA-N 347.349 4.013 0 1 EIAF CCCCCn1c2ccccc2c2cc(CN3CCNCC3)ccc21 96938359 BWXQHUWLCGUSSX-UHFFFAOYSA-N 335.495 4.390 0 1 EIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1c(F)cccc1n2CC[18F] 102897170 SXUZXNFBYGVZCD-IUPIWESQSA-N 333.413 4.038 0 1 EIAF CCC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@@H]1C 169320358 XNWQSVHEOZCJHE-YROCYRMSSA-N 349.474 4.184 0 1 EIAF CCCNC[C@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 169325758 BIUFPJPSIBNCTK-QFIPXVFZSA-N 332.447 4.449 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1 586882419 SESZFWZWHSUJIP-UHFFFAOYSA-N 326.783 4.145 0 1 EIAF Brc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586883665 KTSTUTKSPQFRHZ-YPIXOSSWSA-N 332.245 4.188 0 1 EIAF CC[C@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586885756 ACZDNHUXYJWKML-RFAUZJTJSA-N 337.217 4.016 0 1 EIAF Cc1ncc(-c2nc3cc(F)c(F)cc3[nH]2)c(C)c1Br 586978920 LKJKVBWFKVAPMO-UHFFFAOYSA-N 338.155 4.282 0 1 EIAF Cc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c(C)n1 587012420 JFIXTWSYTKCCNE-UHFFFAOYSA-N 349.257 4.338 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccn1 587092558 WCPGXZZQPLPDST-UHFFFAOYSA-N 344.749 4.328 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CCCN1CC4)-c1ccccc1C2=O 587096975 MXFGSLAEVILCOW-SFHVURJKSA-N 340.426 4.448 0 1 EIAF COC(=O)[C@H]1C(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106150 FYSFKYXPZUDLGC-KRWDZBQOSA-N 341.366 4.120 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587196094 QLFJQBUAFCMJKJ-VIFPVBQESA-N 335.238 4.483 0 1 EIAF Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2n1 587247913 XPLBAEFNBJGZKL-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O 587441101 RGGDLTPHKFAQTL-UWJYYQICSA-N 338.403 4.145 0 1 EIAF CC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587516763 ZLNBMRRGLHFCMC-OAQYLSRUSA-N 335.403 4.044 0 1 EIAF Cc1c(Cn2cncn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628517 USUKFAHNPPXJTP-UHFFFAOYSA-N 348.250 4.154 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC(F)(F)F)N1 587708595 BRRRMZMJWDNLRV-KGFZYKRKSA-N 326.131 4.116 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)cc1 587934889 HPBUSZSGPBCMFD-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF O=C(CCc1ccccc1)c1nc2cc(Br)ccc2[nH]1 587954000 YIPOZUVIBQVKCW-UHFFFAOYSA-N 329.197 4.141 0 1 EIAF Oc1ccc2c(c1)[C@H](c1ccc(Cl)c(C(F)(F)F)c1)NCC2 963340796 IIRLCLJHUDGIIL-HNNXBMFYSA-N 327.733 4.300 0 1 EIAF CCOC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2c1 1857552096 CTGIWUICWUEGJN-UHFFFAOYSA-N 334.297 4.425 0 1 EIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC(C)C 775933 KIPCXVQEHXJAKE-UHFFFAOYSA-N 330.428 4.176 0 1 EIAF Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2ccccc12 4268570 JGVBLUSUDAECPE-UHFFFAOYSA-N 328.371 4.451 0 1 EIAF Oc1ccc(Cl)cc1-n1cnnc1-c1ccc(C(F)(F)F)cc1 13558798 VGUDFMIZIDNIKV-UHFFFAOYSA-N 339.704 4.312 0 1 EIAF CC[C@H](N)COc1nc(-c2cccs2)c(C)c(-c2cccs2)n1 28525324 VGESWILZEXYMSX-LBPRGKRZSA-N 345.493 4.358 0 1 EIAF CC(C)N(C(=O)Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C 29415750 LROMQXPYSHCVKX-UHFFFAOYSA-N 339.435 4.240 0 1 EIAF C[C@@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 73314408 PNMNQMOHZGYGRA-QGZVFWFLSA-N 346.839 4.390 0 1 EIAF COc1ccccc1Nc1nc2cnc(-c3ccccc3)cc2n1C 74387435 FCHBFAMLTLPOFB-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF O=c1oc2ccc(Br)cc2c2c1Nc1ccccc1N2 100185606 GGBYKLJHKRVRMA-UHFFFAOYSA-N 329.153 4.356 0 1 EIAF COc1ccc2nc(-n3nc(C)c(-c4ccccc4)c3O)sc2c1 101463387 VSCHQJBBMOGMGC-UHFFFAOYSA-N 337.404 4.172 0 1 EIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1CCc1ccccc1 103270562 FESLIGOBQLHOGH-KRWDZBQOSA-N 339.435 4.000 0 1 EIAF Cc1cc(OC[C@H]2CCCN2Cc2ccccc2)n(-c2ccccc2)n1 169346043 GOXKZLJSDFJGIW-OAQYLSRUSA-N 347.462 4.224 0 1 EIAF COc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 587015681 HLDDVXRNRPGVRR-UHFFFAOYSA-N 342.811 4.410 0 1 EIAF Cc1ccc(-c2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cs2)o1 587016025 DYKXOWYITVIKHA-UHFFFAOYSA-N 334.763 4.442 0 1 EIAF COc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Cl)c1O 587046125 KRYXYNZZGZUKKU-UHFFFAOYSA-N 343.692 4.011 0 1 EIAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(C)=O)cc3[nH]2)c1 587051141 VERIYNMVFQEQHY-UHFFFAOYSA-N 327.771 4.044 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2cccc(C(F)(F)F)c2[nH]1 587059801 XHFXNSDCTJUARQ-LBPRGKRZSA-N 339.748 4.478 0 1 EIAF Cc1ccc(C)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587118829 PPWOPEIWQUODIN-UHFFFAOYSA-N 334.345 4.321 0 1 EIAF CC(C)(C)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2n1 587162745 ITIHAABXCNXWJV-UHFFFAOYSA-N 325.387 4.210 0 1 EIAF Fc1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 587168782 MCGWCCZLLGMERS-UHFFFAOYSA-N 339.139 4.183 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(Cc3ccccc32)[C@H]1c1ccc(F)cc1 587350698 HZCCWQHNACWVEJ-UNMCSNQZSA-N 346.357 4.342 0 1 EIAF COc1cc2c3c(c1)O[C@](CCc1ccccc1)(C(F)F)[C@@H](C2)C3=O 587420744 HCCUOOOERXZKCD-YWZLYKJASA-N 344.357 4.079 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1sc(F)cc1C=O)CC2=O 587471326 KXOMOGDXBVYQAL-CQSZACIVSA-N 334.368 4.064 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2F)N1 587725041 BFWIJFZSMBEODI-FUXBKTLASA-N 344.224 4.412 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3cc(OC)c(C)cc3[nH]2)c1 587778035 HWXZIFYKDFONIY-UHFFFAOYSA-N 326.396 4.344 0 1 EIAF CC(C)SC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587839503 HJWLREGDKDJHJH-CABZTGNLSA-N 332.282 4.305 0 1 EIAF CC(C)c1c(Cl)ncnc1-n1nc2cc1Oc1ccc(F)cc1-2 587873663 GTHVFASUXACCLW-UHFFFAOYSA-N 330.750 4.351 0 1 EIAF Cc1ccnc2c1CCN[C@]2(c1ccccc1)c1ccc(Cl)cc1 963071580 JVWNPUBWJUIIOL-OAQYLSRUSA-N 334.850 4.481 0 1 EIAF CCCSc1nc(NC(C)=O)cc(O[C@@H](C)c2ccccc2)n1 1857648244 JKHKXGWHVHXXCS-LBPRGKRZSA-N 331.441 4.077 0 1 EIAF CNc1nc(Oc2ccc3sc(C)nc3c2)c2sccc2n1 61902956 KWYNJZDPXIQLSK-UHFFFAOYSA-N 328.422 4.443 0 3 EIAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccccn2)n1 61905080 SCIJVQXDBMSSKK-ZDUSSCGKSA-N 330.844 4.178 0 3 EIAF O=C1COCc2cc(-c3cccnc3)ccc2N1CC1CCCCC1 74375690 JPZGZNQAMBUMFC-UHFFFAOYSA-N 336.435 4.192 0 3 EIAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2snnc2c1 5152157 LCSOVTYFZSPEDE-UHFFFAOYSA-N 338.314 4.354 0 1 EIAF COc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 13684414 UNNVAVXBYOPNHR-UHFFFAOYSA-N 328.375 4.209 0 1 EIAF C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)N1C 13818622 FMPNFDSPHNUFOS-WVWGGHRYSA-N 345.527 4.419 0 1 EIAF CC/C=C/CCOC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26393769 AEUZMXBITBLKGU-KYUOCLJZSA-N 336.472 4.354 0 1 EIAF CN(C)CCCCCOc1nn(Cc2ccccc2)c2ccccc12 28009158 KFIJHWHPVATJRN-UHFFFAOYSA-N 337.467 4.195 0 1 EIAF CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(F)cc1 28219928 APCHSEYNTSRCIY-UHFFFAOYSA-N 340.398 4.267 0 1 EIAF CNCCC[C@@]1(C)Cc2ccccc2N(c2cc(F)cc(F)c2)C1=O 28527825 HWOCKNMBFVXGDK-FQEVSTJZSA-N 344.405 4.192 0 1 EIAF Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)sc1C 28712617 UWWLOYVEIGMCBC-ZDUSSCGKSA-N 342.848 4.331 0 1 EIAF COc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2Cl)cc1 28965652 HLMAKJCWEVNTGQ-CMDGGOBGSA-N 340.803 4.073 0 1 EIAF c1ccc(CNc2nc(Cc3ccncc3)nc3ccsc23)cc1 29209724 RYTYZIQMYADZIH-UHFFFAOYSA-N 332.432 4.289 0 1 EIAF COc1ccc2c(c1)C[C@@H]1c3cc(OC)c(Cl)cc3CCN1C2 96930017 MTAWQOIMTSBLBR-GOSISDBHSA-N 329.827 4.013 0 1 EIAF CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)CCC2CCCC2)CC1 299830207 LOXZHTGEBRGMGL-AQYVVDRMSA-N 342.527 4.473 0 1 EIAF CCOCc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)o1 586902260 CZUFVGXPJMOSOK-UHFFFAOYSA-N 335.201 4.430 0 1 EIAF O=C1c2ccccc2-c2cc([C@@H]3CCCCC3=O)nc3ccc(O)c1c23 586989542 AYNOYEXKMBGVOP-AWEZNQCLSA-N 343.382 4.379 0 1 EIAF FC(F)(F)c1nc(Cl)nc2nc(-c3cc4c(s3)CCC4)[nH]c12 587034806 ZDAXWZFRHOXAPO-UHFFFAOYSA-N 344.749 4.242 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1cccnc1C3 587106012 JUZDSXBJENENIP-UHFFFAOYSA-N 334.378 4.336 0 1 EIAF Cc1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587194935 AAZANCCCEQVUJJ-UHFFFAOYSA-N 328.419 4.473 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1F)O2 587384690 IARSJGRQNDCTFA-IBGZPJMESA-N 336.366 4.214 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(CC(C)C)c1C)O2 587390027 OYJZHVYSKQTJGI-IBGZPJMESA-N 326.440 4.358 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](OC)c1ccccc1)CC2=O 587477364 BXONOHXSMWCXNX-RTWAWAEBSA-N 340.419 4.456 0 1 EIAF CCn1cnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500398 OOKQFXGEBGHUAC-OAHLLOKOSA-N 330.815 4.142 0 1 EIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601098 QXCQOSKJECBMSD-GHTZIAJQSA-N 348.354 4.104 0 1 EIAF Cc1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1 587940321 OBKGCFKQKYYXCY-UHFFFAOYSA-N 345.196 4.021 0 1 EIAF O=C(O)CCCSc1nnc(-c2cc(C3CC3)ccc2Cl)o1 1857533804 AMJYRQJYBAFHRD-UHFFFAOYSA-N 338.816 4.224 0 1 EIAF CCO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857641253 MVMAKMXCWDZYAF-MRXNPFEDSA-N 330.840 4.293 0 1 EIAF COC[C@H]1c2c(-c3ccncc3)c(-c3cccc(C)n3)nn2CC1(C)C 1857652658 RUUMQGIGKGSSDJ-INIZCTEOSA-N 348.450 4.085 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)c3cocc3C(=O)C[C@H]21 2356790076 FBTVMHKPTOSTHZ-HNULKUCHSA-N 330.424 4.431 0 1 EIAF O=C1Oc2cc3c(c4cccc1c24)OCN(c1ccc(Cl)cc1)C3 1632553 PGVVYQXSSHMHRF-UHFFFAOYSA-N 337.762 4.382 0 1 EIAF COc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1Cl 4006275 SZQLAWNXRYASKW-HNNXBMFYSA-N 348.855 4.143 0 1 EIAF CC(=O)OCC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13757588 KUFKJGCEDSNQSX-UHFFFAOYSA-N 331.371 4.301 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCCO1 29410828 OHOUPBLLXCZHSW-VJWNIMFCSA-N 331.500 4.057 0 1 EIAF O=C(O)[C@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1 29415883 SJJUKGVRGZOKFH-INIZCTEOSA-N 333.431 4.285 0 1 EIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@H]1N2C 36271354 LFJPCUHETVUFNZ-IMBTUZDBSA-N 341.476 4.154 0 1 EIAF C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(-c2ccc3ccccc3c2)c1 53224522 YFWBKVXUOIZZMD-QMHKHESXSA-N 347.458 4.439 0 1 EIAF C[C@@H]1C=CCCO[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 72138052 OMRBJTSGXXMHGP-VFNWGFHPSA-N 337.394 4.180 0 1 EIAF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(F)cc1 82141163 SAKXLHFPANWILX-CHWSQXEVSA-N 344.434 4.021 0 1 EIAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3cccs3)ncnc21 82178911 BSRMMHDYTVPJDP-LBPRGKRZSA-N 341.484 4.423 0 1 EIAF CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc2ccccc12 84655089 XGOZTYIMDBGKCW-JOCHJYFZSA-N 345.442 4.330 0 1 EIAF c1cc2ccc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)cc2[nH]1 113876121 QNBWBURSLYDEDL-LJQANCHMSA-N 345.450 4.121 0 1 EIAF O=C(O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899321 XZLIKSOXHDLVOA-UHFFFAOYSA-N 330.343 4.301 0 1 EIAF FC(F)(F)c1c(Br)ccc2nc(C3=COCC3)[nH]c12 586913652 RYYULIVCBFOVSV-UHFFFAOYSA-N 333.107 4.105 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](O)CCCCC3 586991400 NMLNLUDBIBVNMW-KRWDZBQOSA-N 345.398 4.302 0 1 EIAF COc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cn1 587083127 HSLZATJRUOBMJH-UHFFFAOYSA-N 345.189 4.489 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cc(C)c(Cl)c1C)O2 587374037 FUXFLDCJWFGGRS-HNNXBMFYSA-N 331.799 4.260 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cscc1Br)O2 587411081 AUGRYYGFYFXTPI-ZDUSSCGKSA-N 338.226 4.108 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(N)cc4)o1)[C@@H](C2)C3=O 587433967 YHUAGJQESVJKAM-YCRPNKLZSA-N 347.370 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1OC)CC2=O 587465472 DHFAZLPRMHWRNO-GOSISDBHSA-N 330.355 4.199 0 1 EIAF COc1ccc(-c2cccc(-c3nc4c(C)nccc4[nH]3)c2)cc1O 587787905 ZJBDIFBUZMBPDW-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF CCC(=O)C[C@]1(c2cccnc2)NCCc2c(Cl)cc(Cl)cc21 963120558 KDFNBIJLOSWNMP-GOSISDBHSA-N 349.261 4.147 0 1 EIAF N=C(N)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 1857534806 SVDOXWPIQHOXGO-UHFFFAOYSA-N 331.419 4.162 0 1 EIAF CCOc1ccc(C(=O)[C@@H](C)c2ccc(OC)c(OC)c2)c(OC)c1 1857759678 PHXKXYLWRMXNSW-ZDUSSCGKSA-N 344.407 4.098 0 1 EIAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356294058 BXJMTCBLJTVUEU-KSZLIROESA-N 340.515 4.353 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 2356558326 UVGNAGKHBDTENQ-VOMKJEOTSA-N 330.424 4.257 0 1 EIAF COc1cccc(-c2c[nH]c([C@H](O)c3ccc(C(C)(C)C)cc3)n2)c1 61908916 PDZYVVWKPGGUCX-LJQANCHMSA-N 336.435 4.465 0 3 EIAF Oc1c2cc(Br)ccc2nc(=S)n1-c1ccccc1 85928863 JCPNTXLUXSWAHO-UHFFFAOYSA-N 333.210 4.223 0 3 EIAF CC(C)N(c1nc(Cl)nc(N[C@H](C)c2ccccc2)n1)C(C)C 5760346 HKLHDWRTLRCXJM-CYBMUJFWSA-N 333.867 4.321 0 1 EIAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@@H]1C(C)(C)CCC[C@@]21C 13483217 QAIIXQJPXUSTBS-SPLOXXLWSA-N 344.451 4.144 0 1 EIAF biogenic CCN(CC)CC1=N[C@@](C)(c2ccccc2)c2ccccc2CN1C 13600346 ODKXAZPYNHASHA-QFIPXVFZSA-N 335.495 4.136 0 1 EIAF CCCc1noc(-c2ccc(C(=O)NC[C@@H]3CCCC3(C)C)cc2)n1 13864690 NDZHEZRTRXOGFW-INIZCTEOSA-N 341.455 4.245 0 1 EIAF Cn1cc(CN2CC[C@@H](c3nc4ccccc4[nH]3)C2)c2ccccc21 51076721 ZCIHASZCIPPOCT-OAHLLOKOSA-N 330.435 4.044 0 1 EIAF biogenic CCNC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 66077002 DHGXDLWTMDTFHD-UHFFFAOYSA-N 333.395 4.161 0 1 EIAF COc1cc(CCC(=O)CCCCc2cccc(O)c2)ccc1O 85644755 BBCCRYNRJHPEQR-UHFFFAOYSA-N 328.408 4.021 0 1 EIAF biogenic,in-vitro COCc1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1 95594510 GZCOMEZTADVJHE-UHFFFAOYSA-N 326.318 4.023 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@H](c2cccc(F)c2)C1 169704927 ROOFFAWDIFZLQB-ZFWWWQNUSA-N 338.386 4.160 0 1 EIAF C[C@]12[C@@H]3C[C@]4(C)O[C@H](c5ccoc5)C[C@]4(C)[C@H]1CCC[C@H]2C(=O)O3 197395954 DCPVGIYAMVTELY-XVLAHQNTSA-N 330.424 4.258 0 1 EIAF COC/C(C)=C\Cc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1O 238734789 NBROPRGEZLJVAB-RIIBEOAISA-N 330.424 4.134 0 1 EIAF CCCC1(c2nc3cccc(I)c3[nH]2)CCC1 586877702 KUXCERVEGGYOCV-UHFFFAOYSA-N 340.208 4.389 0 1 EIAF FC(F)(F)Oc1cc2nc(C3CCC3)[nH]c2cc1Br 586884537 OVOAVTIGNSAKMR-UHFFFAOYSA-N 335.123 4.492 0 1 EIAF CCc1cc(OCc2nc3cc(OC)cc(OC)c3[nH]2)ccc1Cl 587052823 OPHQUJLYSSECJF-UHFFFAOYSA-N 346.814 4.375 0 1 EIAF Cc1c(-c2nc3ccc(CCO)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166628 YDTHRNAREWKRFY-UHFFFAOYSA-N 349.409 4.218 0 1 EIAF Brc1nc2c(s1)-c1nc3cccc4c3c(c1CC2)CC4 587360889 QQPHLEULKSWSOP-UHFFFAOYSA-N 343.249 4.318 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc(C)sc1C)CC2=O 587494719 NMSFTLMQODJGAA-GOSISDBHSA-N 331.437 4.299 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)Cl)N1 587706646 RKKPMQUUMBSCOL-UPONEAKYSA-N 342.586 4.169 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC[C@@H](C)O)N1 587834517 SBNHGKTZHXJYPE-LYOVBCGYSA-N 344.268 4.105 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC(=O)C[C@@H](c3ccco3)C2)N1 962951578 IAEVCZQTRTXELV-HLFMIMNKSA-N 348.446 4.417 0 1 EIAF COc1ccc2c3ccnc(C)c3n(CCCCCC(=O)O)c2c1 1857597126 AXVIJPPGERZKTR-UHFFFAOYSA-N 326.396 4.152 0 1 EIAF Oc1ccc(-c2cnn(-c3ccccc3)c2-c2ccc(O)cc2O)cc1 1857642535 CCRGBDGVEDKXKZ-UHFFFAOYSA-N 344.370 4.323 0 1 EIAF COc1ccc2c(Cn3cncn3)c(-c3ccc(Cl)cc3)[nH]c2c1 1857749758 NODCXEHWHMFISP-UHFFFAOYSA-N 338.798 4.137 0 1 EIAF CN[C@@H]1C=C[C@H]([C@@]23CC[C@H](C)[C@@]4(CCC(C)=C4C2)C3(C)C)[N@@]2C[C@@H]12 2356369322 QMXHHGQOIZSXQQ-KSANWIHLSA-N 326.528 4.140 0 1 EIAF CCCc1nc2ccccc2n1[C@@H](CCSC)C(=O)NC(C)(C)C 95604530 HDYHMXHMJVFTRU-INIZCTEOSA-N 347.528 4.198 0 3 EIAF O=C(O)c1ccc(C(=O)c2ccc(C(=O)C3CCCCC3)cc2)cc1 13740021 VXIXTOPTKFLZAH-UHFFFAOYSA-N 336.387 4.379 0 1 EIAF CCN(CC)CCCn1c2ccccc2c2nc3ccccc3nc21 31848206 TYJKKADUDGAKKS-UHFFFAOYSA-N 332.451 4.470 0 1 EIAF O=C(Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1NC2=O 45286995 DSRGVBKRHCMKHJ-UHFFFAOYSA-N 347.349 4.387 0 1 EIAF COc1ccc(Oc2ccnn(-c3ccc(C(C)C)cc3)c2=O)cc1 95558538 JTXWFQZTQZHURL-UHFFFAOYSA-N 336.391 4.157 0 1 EIAF Cc1nnc2n1-c1c(Cl)cc(-c3cnccc3C3CC3)cc1CC2 95590375 BMTHHLLPARVMJH-UHFFFAOYSA-N 336.826 4.267 0 1 EIAF CC(C)c1ccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc2c1 169340024 WMGIBHRBIUPVLF-UHFFFAOYSA-N 334.379 4.090 0 1 EIAF CCCN(CCC)C(=O)/C=C/c1ccc2cc3c(cc2c1)OCO3 169349640 PFIPSCCLUDFDGA-SOFGYWHQSA-N 325.408 4.230 0 1 EIAF C[C@H]1[C@@H]2O[C@H](c3ccoc3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C 238767513 RDTNPZGDEQSWNY-BRVMPERGSA-N 328.408 4.034 0 1 EIAF Brc1nccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586884770 IUYJDDKPFHZCJX-YVEFUNNKSA-N 340.224 4.092 0 1 EIAF Clc1ncc(Br)c2nc(-c3occ4c3CCC4)[nH]c12 586905526 SFZLVDRVPHJUPA-UHFFFAOYSA-N 338.592 4.123 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]ccc1CC3 586989690 PGISZOXDKDWBMF-UHFFFAOYSA-N 338.366 4.246 0 1 EIAF COc1ccc(-c2nc3cc(Cl)cnc3[nH]2)c(C(F)(F)F)c1 587095597 MEIVDRIHWJSYQD-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF CC[C@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097642 NBQBKCIBSWAEAF-ZDUSSCGKSA-N 345.398 4.421 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3cncc(Cl)c3[nH]2)c(N)cc1F 587136533 QRDJECZUHMTWON-UHFFFAOYSA-N 334.782 4.177 0 1 EIAF Cc1ccc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc1F 587146241 FQSJSVOXFHULAV-PLNGDYQASA-N 332.176 4.338 0 1 EIAF O=C(CCS(=O)(=O)c1ccccc1)c1coc2ccc(Cl)cc12 587279240 PLALKWVQLHTSHX-UHFFFAOYSA-N 348.807 4.133 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O 587448794 GGQQVVSIRWHELM-LAUBAEHRSA-N 332.355 4.043 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccsc4)n1)[C@@H](C2)C3=O 587453423 QMWQSFVWRXGMJP-XOBRGWDASA-N 349.411 4.307 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C 587617670 QIGSILQKRJSPGO-PXNSSMCTSA-N 336.343 4.305 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)o2)N1 587706897 SKXSMUVDFVGOGA-NXSYQRQQSA-N 344.611 4.458 0 1 EIAF Cc1ccnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 587782244 KAYSHXFCYNRNJB-UHFFFAOYSA-N 331.375 4.218 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc[nH]c32)N1 587802559 MYAKGTSZVCHKNG-BMLIUANNSA-N 349.247 4.030 0 1 EIAF CSC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587843171 HHPBJLMESXSOLW-ISVAXAHUSA-N 330.266 4.059 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CC(C)(C)O 587859808 JMTGNQWYEYCDIV-UHFFFAOYSA-N 329.227 4.027 0 1 EIAF O=C(NCCn1c(-c2cccs2)cc2ccccc21)c1ccccn1 1772598533 MFDOFMCHLFWXLY-UHFFFAOYSA-N 347.443 4.195 0 1 EIAF COc1ccc(-c2[nH]c3cc(Cl)ccc3c2Cn2cncn2)cc1 1857749401 RNSNEJMEBZVEDB-UHFFFAOYSA-N 338.798 4.137 0 1 EIAF CC(C)=CCC[C@H](C)[C@@H]1C2=C(C(=O)OC2)[C@@H]2C[C@@H]2C[C@@H](C)C[C@@H]1O 2356375370 ARPBFHZIOKVIPZ-ROSLGNJOSA-N 332.484 4.265 0 1 EIAF COc1c2c(c(OCC=C(C)C)c3oc(=O)ccc13)OC(C)(C)C=C2 13385232 YNWLOFUQQROHKU-UHFFFAOYSA-N 342.391 4.331 0 1 EIAF biogenic Oc1ccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 13766066 DTGDQRLXHBUCRM-UHFFFAOYSA-N 337.770 4.123 0 1 EIAF Fc1ccc([C@@H](NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1 20988522 NUAVMMOWQHHUBZ-GOSISDBHSA-N 337.398 4.497 0 1 EIAF O=C(NCCc1ccc(Cl)cc1)c1ccc2cc(O)ccc2c1 29132783 WOGYQYKZRSPJDE-UHFFFAOYSA-N 325.795 4.171 0 1 EIAF C[C@@]1(C(=O)Nc2ncc[nH]2)CC2c3ccccc3C1c1ccccc12 40901105 SPRNBEPBURHNIM-WIXQSORDSA-N 329.403 4.036 0 1 EIAF CO[C@H]1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 40957644 MIDVFMBEYNBGIQ-GOSISDBHSA-N 335.513 4.165 0 1 EIAF CCC(=O)NCC[C@H]1C[C@@H](c2ccccc2)Cc2ccc(OC)cc21 45506210 IWNXDLGQZHITSH-OALUTQOASA-N 337.463 4.425 0 1 EIAF CCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O 72106824 HYTRUJPRWGLOBZ-UHFFFAOYSA-N 326.827 4.191 0 1 EIAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)c1 96285793 CRULTPXBZBEKFC-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF COc1ccc2c(c1)-c1cnc(n1C)OCCCCCCCCO2 103245662 JHFXITBLDXDDDM-UHFFFAOYSA-N 330.428 4.208 0 1 EIAF CCO[C@H]1C[C@@H](c2coc3ccccc3c2=O)N(c2ccccc2)O1 136825710 WOJMTZIEAWTPEI-PKOBYXMFSA-N 337.375 4.039 0 1 EIAF COc1ccccc1-n1c(O)c2c(c1O)C[C@H](c1ccccc1)CC2 169691639 KFHJASRSEBXMPI-OAHLLOKOSA-N 335.403 4.170 0 1 EIAF CC(C)c1c2c(nn1C)C[C@H](C)c1cnc(Nc3ccccc3)nc1-2 169702333 BSQCXNNGAGDKBQ-ZDUSSCGKSA-N 333.439 4.404 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 254093150 NVLJYIBBEXBONT-XTSAFQATSA-N 340.555 4.005 0 1 EIAF CCOC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473107483 JICUKYCTZYSDBQ-KRWDZBQOSA-N 328.799 4.150 0 1 EIAF CCOC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587153381 ZGABXSKSFYMWMO-OLZOCXBDSA-N 342.345 4.289 0 1 EIAF CC(C)[C@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198161 UWGSFEHNVICBAH-CQSZACIVSA-N 339.386 4.405 0 1 EIAF C[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@@H]1C(=O)O 587205633 AOZIFIZZOBBNRL-NEPJUHHUSA-N 343.382 4.197 0 1 EIAF COc1ccccc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587392394 ZCTSSPIXVUAUSP-FQEVSTJZSA-N 348.402 4.083 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(C)c(C)cc4n1)[C@@H](C2)C3=O 587436492 PWVUCXXWGVBYKP-AOMKIAJQSA-N 345.398 4.349 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1ccccc1C)[C@@H](C2)C3=O 587446474 XNGWSBGUQSVRFM-BZDHPDOMSA-N 334.415 4.313 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4SC[C@H]1C)[C@@H](C2)C3=O 587453542 QYUVRNRQWMQTHF-SZELWCTASA-N 338.428 4.080 0 1 EIAF O=C1C[C@H](c2c(O)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587528424 ZKHHWGQIIQQSAH-GOSISDBHSA-N 333.387 4.459 0 1 EIAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccc1F 587625059 ZIOKJOWKXAJRJT-UHFFFAOYSA-N 345.757 4.286 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(Cl)cc1 587638342 JUVHKNHBTXDTSW-UHFFFAOYSA-N 328.755 4.080 0 1 EIAF O=C(O)c1cccc2c(-c3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c12 587638359 XHJPKSGGLQRYEM-UHFFFAOYSA-N 345.280 4.428 0 1 EIAF CCCC[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797423 WWQDCWOSNSYXLL-MEDUHNTESA-N 344.268 4.154 0 1 EIAF Cc1cccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874004 RVZTUUJCPULLSV-GFCCVEGCSA-N 338.338 4.211 0 1 EIAF COc1ccccc1CC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 587932630 WUWHBATXMJTCDC-UHFFFAOYSA-N 335.190 4.304 0 1 EIAF Cc1ccc(C)c([C@]2(CO)NCCc3cccc(-c4ccccc4)c32)c1 962670153 QLKRMOSJEBGCAY-DEOSSOPVSA-N 343.470 4.352 0 1 EIAF COc1cccc(C(=O)[C@@H]2S[C@@H]2c2ccc(Br)cc2)c1 1772657807 JBAUESNVBKLLNJ-CVEARBPZSA-N 349.249 4.497 0 1 EIAF Cc1cc(CC(=O)O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 1857768554 MMMZGXPHEJLAFK-UHFFFAOYSA-N 325.408 4.172 0 1 EIAF CCOc1ccccc1O[C@H](c1ccccc1)[C@@H](OC)c1ncc[nH]1 2356678690 PJDSAPORFHURTH-RTBURBONSA-N 338.407 4.316 0 1 EIAF O=c1oc2ccccc2c2c1nc(C(F)(F)F)n2-c1ccccc1 211813 OHLLCULRUJEUNG-UHFFFAOYSA-N 330.265 4.151 0 3 EIAF CCCCN(CC)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 4950595 FZQQJHCHZJKPTC-UHFFFAOYSA-N 342.464 4.313 0 3 EIAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)COC1CCC(C(C)(C)C)CC1 13154397 WPYJHCPYGNYTGC-JOGYUHMRSA-N 325.537 4.232 0 1 EIAF COc1c(C(C)=O)c(O)c(OCc2cccc(C)c2)c2occc12 13682347 PEBYQEWZDCISKS-UHFFFAOYSA-N 326.348 4.237 0 1 EIAF O=C1N=C(O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 14943770 QBMMMCZNMCDPBJ-ROUUACIJSA-N 329.359 4.013 0 1 EIAF CCOC(=O)[C@H](CCc1ccccc1)Nc1nc2ccccc2s1 28006914 NBRVQPCDYCJVCI-INIZCTEOSA-N 340.448 4.273 0 1 EIAF Clc1ccc(C[C@@H](c2ccccc2)N2CCNCC2)c(Cl)c1 36093336 FABMPYBEKUUBIW-SFHVURJKSA-N 335.278 4.182 0 1 EIAF O=C(CCc1ccc(Cl)cc1)Nc1ccc([C@H]2CCCNC2)cc1 117726838 VIYJRKFUMOHQLD-KRWDZBQOSA-N 342.870 4.378 0 1 EIAF CCCCSc1nc(Cc2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352177 OAMIUYLIARLNJM-UHFFFAOYSA-N 340.851 4.354 0 1 EIAF Clc1nccc(-c2nc3ccnc(Cl)c3[nH]2)c1Br 586979497 NWZNAIBRKSHCSI-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cc1c(Br)ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c12 587079935 PILLHMWYCIFYJS-MRVPVSSYSA-N 339.624 4.093 0 1 EIAF CC(C)Oc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587125163 RNTRFCCDFSKZNF-UHFFFAOYSA-N 333.338 4.056 0 1 EIAF CCOc1cc(/C=C\c2nc3c(C)ccnc3[nH]2)ccc1OC(F)F 587129141 CLZLYKHKPJYIDL-ALCCZGGFSA-N 345.349 4.437 0 1 EIAF C[C@]1(c2nc3cnc4ccccc4c3[nH]2)C=C(c2ccccc2F)NO1 587153870 AWXHOTNOIRUZJO-HXUWFJFHSA-N 346.365 4.041 0 1 EIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O 587375789 PBQDMFMNXXHKQR-HNNXBMFYSA-N 347.798 4.041 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCc3ccc(F)cc31)O2 587384991 QRTKIQCAHDZURT-HXUWFJFHSA-N 325.383 4.303 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587419327 DPVPUCULGJSACD-DJJJIMSYSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(O)cc31)CC2=O 587479902 KBUZEOQGAGXJOO-NRFANRHFSA-N 338.403 4.247 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccccc31)CC2=O 587493184 STOZEEIRFVBFGJ-OAQYLSRUSA-N 338.403 4.378 0 1 EIAF CCOC(=O)C[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520979 BZJKYLUUOJUOJL-YCRPNKLZSA-N 342.435 4.023 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(F)(F)F)N1 587708597 BRRRMZMJWDNLRV-UPONEAKYSA-N 326.131 4.116 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccco2)N1 587826240 DUGJFKFMNCQARI-DRLXOFOESA-N 336.204 4.470 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(F)c1F 587871234 QYJMLCRIBMYPDA-UHFFFAOYSA-N 346.308 4.055 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587937955 RJKKBMFNTCBJTC-ABKXIKBNSA-N 334.778 4.201 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 2356334068 YXIXITUSOJUAND-CDGLBDRCSA-N 330.424 4.305 0 1 EIAF Cc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(F)c2)c1 13490874 JYFRODDXKUSBOM-MRXNPFEDSA-N 327.321 4.064 0 1 EIAF O=C(NC12CC3CC(CC(C3)C1)C2)n1ncc2cc(Cl)ccc21 20464538 PNHPZJVWUUNZHN-UHFFFAOYSA-N 329.831 4.216 0 1 EIAF O=C(Nc1cccc(Cl)c1)c1cn2c(n1)sc1ccccc12 28228614 KZWFGVFLFDZETO-UHFFFAOYSA-N 327.796 4.455 0 1 EIAF COc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1 29126333 NZWXRAADBLOHQL-UHFFFAOYSA-N 349.221 4.195 0 1 EIAF CCCC(=O)Nc1cccc(NC(=O)c2cnc3ccccc3c2)c1 84655038 WZRFFTJQMVVGIG-UHFFFAOYSA-N 333.391 4.226 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587125202 QUELUNWVFYNDJR-ZANVPECISA-N 335.333 4.042 0 1 EIAF Fc1cc(Br)cnc1-c1nc2ccc3c(c2[nH]1)CCCC3 587156897 AUCOQNVHNGLPPD-UHFFFAOYSA-N 346.203 4.405 0 1 EIAF Cc1cc2nc(COc3ccc(F)cc3)[nH]c2cc1Br 587168341 GJXSHBSTNHCUHH-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF COc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cn1 587196361 RKPYVCPZMKCBQE-UHFFFAOYSA-N 344.418 4.173 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1)O2 587370238 CUSXUNAITUPVFZ-HNNXBMFYSA-N 332.197 4.046 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)c(C)c1)CC2=O 587470940 XDWROBOWVHQYKR-FQEVSTJZSA-N 339.435 4.426 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c([nH]1)CCCC3)CC2=O 587479930 DICNRKGVDCFKGN-IBGZPJMESA-N 325.408 4.258 0 1 EIAF C[C@]1(c2c(N)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506048 OBAKTWKXCVREJK-HXUWFJFHSA-N 325.383 4.167 0 1 EIAF Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587561425 PQRJASFMPIOFKB-UHFFFAOYSA-N 329.359 4.078 0 1 EIAF CC[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656409 ZPIDKSFCHKHMOT-LLVKDONJSA-N 342.345 4.028 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1C 587873319 YWLQMXUBEPBBHO-UHFFFAOYSA-N 330.384 4.146 0 1 EIAF CC/C(=C\c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 587968951 XBLPIHQUQRTLQW-MDWZMJQESA-N 333.391 4.153 0 1 EIAF COc1cccc(Nc2nccc3nc(-c4ccccc4)cnc23)c1 653739758 MKYBMEVSJFNENA-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF CC(C)c1cc2c(cc1O)C(=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356541749 YNDIFOCLBVZRHQ-DFQSSKMNSA-N 330.424 4.251 0 1 EIAF COc1cccc([C@@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1 61898819 WAWLVAOBTQWRMK-MRXNPFEDSA-N 348.324 4.186 0 3 EIAF COc1ccc(-c2cscc2-c2ccc(S(C)(=O)=O)cc2)cc1 18712 MLWNUESLTIUJNZ-UHFFFAOYSA-N 344.457 4.494 0 1 EIAF O=C1N[C@@H](/C=C/c2ccccc2Cl)Nc2sc3c(c21)CCCC3 230060 ILRWXLSWCQXNNR-BOLDSZDNSA-N 344.867 4.475 0 1 EIAF COc1cc2c(cc1C(C)C)C(=O)O[C@]1(O)C(C)(C)CCC[C@]21C 5761565 MCRAIDDVIKPKMP-WOJBJXKFSA-N 332.440 4.145 0 1 EIAF biogenic COc1cc(NC(=O)/C=C/c2ccccc2F)ccc1-c1cnco1 13818699 JLSOXFSZVSZKER-RMKNXTFCSA-N 338.338 4.141 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C(F)F)[C@@H]1CCC2=O 26740841 HSMCEDAOAKMTGP-NQFBYJHOSA-N 338.394 4.218 0 1 EIAF O=c1nc(-c2ccc(O)c3ccccc23)[nH]c2sc3c(c12)CCCC3 28521328 LYVDKSQGYWDQEW-UHFFFAOYSA-N 348.427 4.389 0 1 EIAF CC(C)(C)N(Cc1ccccc1)C(=O)/C=C\[S@@](=O)c1ccccc1 31904812 ADHHICUYPKOBSF-XYSUMVETSA-N 341.476 4.135 0 1 EIAF CO/C=C(/C(=O)OC)c1ccccc1[C@@H]1C[C@H]1c1cccc(F)c1 31909277 ANIZTFQAKSBXCA-NNWVJLEKSA-N 326.367 4.257 0 1 EIAF Cc1cccc(OCCCOc2ccc(SCC(=O)O)cc2)c1C 43022184 JEALQGSCFFCFEN-UHFFFAOYSA-N 346.448 4.328 0 1 EIAF c1ccc2c(-c3nc(CNCCN4CCCCC4)co3)cccc2c1 72180062 NXQUQRJRWKEFSM-UHFFFAOYSA-N 335.451 4.070 0 1 EIAF CC(=O)Nc1ccc(-c2cnc3ccc(-c4ccccc4)nn23)cc1 74385884 IQAFWDZXIDMXHY-UHFFFAOYSA-N 328.375 4.022 0 1 EIAF O=C(O)CC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 95535324 MPYSEADBSXNNMP-UHFFFAOYSA-N 338.190 4.323 0 1 EIAF COc1ccccc1CN[C@@H]1[C@H]2CCN[C@]1(c1ccccc1)CC=C2C 95553375 HMCACXWESDLLOQ-WWNPGLIZSA-N 348.490 4.008 0 1 EIAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2F)nc1 96173377 SQOYWKJGWBPCEZ-UHFFFAOYSA-N 348.377 4.449 0 1 EIAF O=c1nc2ccccn2cc1Cc1cccc(Oc2ccccc2)c1 169326984 YJMQHDDLZWBZTR-UHFFFAOYSA-N 328.371 4.078 0 1 EIAF CN(C)C[C@H]1C[C@H]2CC[C@H]1N(c1ccnc3cc(Cl)ccc13)C2 253661088 YMCGWFAISRHARH-HBUWYVDXSA-N 329.875 4.055 0 1 EIAF COc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cc1 299857228 MMFUAEIXDGFEKK-UHFFFAOYSA-N 348.402 4.381 0 1 EIAF Brc1cncc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586887001 RLDMGSMPCFWVHJ-YVEFUNNKSA-N 340.224 4.092 0 1 EIAF O=C1c2ccccc2-c2cc(-c3cncc(F)c3)nc3ccc(O)c1c23 586988264 HSPRURPDRRAQCW-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF Cc1c(F)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587008463 WIQYDMHEEBHDBS-UHFFFAOYSA-N 345.175 4.088 0 1 EIAF Cn1cc(-c2ncc(-c3nc4cc5ccccc5cc4[nH]3)s2)cn1 587022445 ZAXCHUGCCIMIRE-UHFFFAOYSA-N 331.404 4.240 0 1 EIAF FC1(F)Oc2cc3nc(-c4ccc(Cl)c(Cl)n4)[nH]c3cc2O1 587085032 XBDHKDVBDXAAIR-UHFFFAOYSA-N 344.104 4.253 0 1 EIAF N[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F 587158304 WIUXPAJZQJGFBY-FVMDXXJSSA-N 336.197 4.350 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(OC)c1)CC2=O 587466177 KFCCXUAIWLMTKT-KRWDZBQOSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(N)cc1C)CC2=O 587473539 XETDDIWZSWOUFJ-SFHVURJKSA-N 325.408 4.250 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccncc13)CC2=O 587483815 MAXNBSUXHNEVCH-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc([C@@H](C)CC)cc2c1C 587641083 FDANSRYYJADQRS-IGWPVBGESA-N 328.456 4.455 0 1 EIAF O=C(CSCc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587877159 ZDSFTSHTRUXBOK-UHFFFAOYSA-N 340.379 4.369 0 1 EIAF COc1ccc(C[C@@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC 587926717 NUVRTZWSQVGYMT-SNVBAGLBSA-N 345.830 4.283 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(O)cc4[nH]3)c2)c1 587932095 MAKOLCOCHGJVOD-UHFFFAOYSA-N 332.359 4.317 0 1 EIAF Cc1c(Br)cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1C 587962030 HTHIPGBFYLSMSK-GHMZBOCLSA-N 335.245 4.100 0 1 EIAF CN1C(=O)C[C@H]2CN[C@]3(C=C4CCCC[C@@]4(C)CC3)c3cccc1c32 963035519 RXNQGDMDZKYQFH-UZQPLGKSSA-N 336.479 4.236 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cc(OC)c2c(c1)OCO2 963237153 HFVAKHLOQYWIHV-JLTOFOAXSA-N 339.435 4.170 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1ccccc1 963243962 UTZKTPQUQYICEY-JTSKRJEESA-N 337.463 4.150 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@H]1C 2356748608 KLFDWNXGESKDJI-LJQHDNKASA-N 344.451 4.418 0 1 EIAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@@H]1CC=CCCCC(=O)C1 2356795213 LSHDKABVPJCRGL-OHNKGQGDSA-N 334.500 4.186 0 1 EIAF O=C1c2ccccc2C(=O)N1CCCCC[C@H]1COc2ccccc21 230515311 AWWCBZHHWHRJQR-HNNXBMFYSA-N 335.403 4.019 0 3 EIAF CC[C@@H](C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 13582579 YRGZDNHXSLVEOX-CQSZACIVSA-N 344.422 4.443 0 1 EIAF C[C@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 29206756 YLCLGDNMRKSMDS-WPOPSJDBSA-N 347.283 4.046 0 1 EIAF Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H]1C=N2 29571448 IRCVEKHNWJQOEK-DZGCQCFKSA-N 327.815 4.208 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 33953159 DJPZSBANTAQNFN-HUJIQXBTSA-N 330.468 4.450 0 1 EIAF CCS(=O)(=O)Nc1cccc(OCc2cc3ccccc3s2)c1 34186255 OMNGVMYUVIFERI-UHFFFAOYSA-N 347.461 4.242 0 1 EIAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1cccs1 64548949 ITFVYQQNOAXXPV-GOSISDBHSA-N 343.354 4.018 0 1 EIAF O=C(Nc1nnc(-c2cccc(F)c2)s1)c1ccc(Cl)cc1 84602103 ZNPJOKSMRXRRJJ-UHFFFAOYSA-N 333.775 4.250 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(=CC[C@@]2(C)CO)[C@@]12C[C@H](c1ccoc1)OC2=O 85919165 PGKJGDPOHJKPJR-GNUVVZJLSA-N 330.424 4.019 0 1 EIAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@@]12C=C3C 100778185 OFNWUWHDGCNABD-ZCILTOTFSA-N 346.511 4.489 0 1 EIAF endogenous,in-man CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cccc2cccnc12 103275923 MLWYWTOZLOQOFG-UHFFFAOYSA-N 336.826 4.397 0 1 EIAF CCCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358329 XIYZTPVXMMSQKG-QUCCMNQESA-N 342.366 4.018 0 1 EIAF CCn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587391496 RQHFGPYXVQZHHJ-OAQYLSRUSA-N 334.419 4.432 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(O)ccc31)CC2=O 587477201 DVPLUUZDRLQFAZ-NRFANRHFSA-N 338.403 4.247 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@H](C)CC)c1)CC2=O 587479537 ZSOVUFOTGVARJG-KZULUSFZSA-N 328.412 4.219 0 1 EIAF Fc1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2c1Cl 587632148 QAEPVWPYNUDVSE-UHFFFAOYSA-N 344.817 4.460 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2cnc3ccccc3c2[nH]1 587785813 CVJJODFGJKBDFC-UHFFFAOYSA-N 345.402 4.244 0 1 EIAF COc1ccccc1CC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]1 587930342 OIQSHENDFKXDCR-UHFFFAOYSA-N 335.190 4.304 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(OC)nc4[nH]3)c2)cc1 587934980 JVRCYEXPVIVWEP-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF O=C(Cc1ccc(O)cc1)NCCCCCCCc1ccccc1 653708030 NGOKGQWNRHCNQV-UHFFFAOYSA-N 325.452 4.244 0 1 EIAF COc1cccc(N2C(=O)COc3ccc(-c4ccc(O)cc4)cc32)c1 1857567162 LEWLFGLUQJDFOC-UHFFFAOYSA-N 347.370 4.125 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](c1ccccc1F)C(=O)N2 1857634176 CBMLEDNBJXYMIV-SFHVURJKSA-N 338.338 4.170 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@]13COC(=O)[C@H]1CCC[C@@H]32 2356374645 AYCMMSGIYHDUSS-ADXOPFBHSA-N 330.424 4.117 0 1 EIAF CC(=CCCC(C)=CC(=O)O)CC=C[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356747584 GNUKGZCDYOYXSD-PXNSSMCTSA-N 336.472 4.399 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CC)[C@@H]1C2 3793060 UBWZQILFMCCHFE-CTNGQTDRSA-N 344.499 4.263 0 1 EIAF CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 11436144 LEKRHHKAELJNRK-UHFFFAOYSA-N 341.392 4.004 0 1 EIAF CC(=O)N(C)CC/C=C1/c2ccc(Cl)cc2CCc2cccnc21 13861068 JHOJSIPGICNRRG-SWNXQHNESA-N 340.854 4.134 0 1 EIAF CCCCCc1ccc(C(=O)NCc2ccc(O)c(OC)c2)cc1 26577133 VPOJEZJHEUBUNZ-UHFFFAOYSA-N 327.424 4.064 0 1 EIAF C[C@@H]1CN=C(CCCCCCCCCCCCC2=NC[C@@H](C)N2)N1 28865487 YMRLKVYNDHCAFF-QZTJIDSGSA-N 334.552 4.448 0 1 EIAF O=C(Nc1ccccc1Cl)N1CCCN(Cc2ccccc2F)C1 66167265 ZSZHNEKRYNGVCH-UHFFFAOYSA-N 347.821 4.176 0 1 EIAF O=C(C1CCCCC1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71340984 JFRXMDANHVDUCO-MRXNPFEDSA-N 343.402 4.120 0 1 EIAF Fc1ccc(CCNc2cncc(Oc3ccccc3F)n2)cc1 82068439 LLKHINFYGFIJPT-UHFFFAOYSA-N 327.334 4.202 0 1 EIAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 82181460 GDBJYMIAVLQPTE-LBPRGKRZSA-N 341.484 4.423 0 1 EIAF Cc1ccc(C)c(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1 169722671 NLIRKIYZDZDAGD-UHFFFAOYSA-N 327.405 4.142 0 1 EIAF Nc1ncc(-c2ccc3[nH]nc(-c4cnc5ccccc5c4)c3c2)s1 215992697 GQCHSJRNLCGUAC-UHFFFAOYSA-N 343.415 4.484 0 1 EIAF in-vitro C[C@@]12CCN(C(=O)C3CCCC3)[C@H](Cc3ccc(O)c(Cl)c31)C2 218979130 GOGKPXQJMCLDCP-KUHUBIRLSA-N 333.859 4.041 0 1 EIAF c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 586893503 ZQUAXXKTFWBFOF-BTYIYWSLSA-N 332.403 4.096 0 1 EIAF CSc1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216746 LEEIZFQSADTXDM-KRWDZBQOSA-N 339.464 4.013 0 1 EIAF Cc1cccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587224358 RUTJVYMSOUJLKI-HXUWFJFHSA-N 341.414 4.391 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(F)cc31)CC2=O 587472858 WDZYBDZLIIJYQX-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCO[C@H](C(C)C)C1)CC2=O 587494289 YBAUCVSKLWFGFB-AGRHKRQWSA-N 332.440 4.130 0 1 EIAF Cn1ncc2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587517546 PNBNORZUGNQQSF-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF Cc1cc(C)cc(OCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587565171 ZPODSRHAWTYAEH-UHFFFAOYSA-N 332.306 4.080 0 1 EIAF Cc1cc2c(cc1F)[C@]1(C=CC=C3C1=Nc1ccccc1N3C)NCC2 962143843 JQIIAXYSIAFKCQ-QFIPXVFZSA-N 345.421 4.151 0 1 EIAF Nc1ccc2c3c1[C@@]1(C=COc4c(Cl)cc(Cl)cc41)N(CC3)C2 962962692 TVRCMIBXHUZNSN-SFHVURJKSA-N 345.229 4.097 0 1 EIAF CC=Cc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](C)O2 2356507783 HDXJIAOVHJAFLG-CWTRNNRKSA-N 342.391 4.344 0 1 EIAF O[C@H](c1cc2ccccc2[nH]1)C1(c2cccnc2)SCCCS1 1653331 MTRFKEHYLUTZOG-QGZVFWFLSA-N 342.489 4.319 0 1 EIAF Cc1ccc(NC(=O)N2CCn3c(nc4ccccc43)C2)c(Cl)c1 6737041 IAZIDWOGGSOPJI-UHFFFAOYSA-N 340.814 4.046 0 1 EIAF CN(C)CCCCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 13453136 WQILUXNQRKEYJI-NRFANRHFSA-N 331.500 4.410 0 1 EIAF CC(C)(C)c1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c1 13606924 BNTHTVQXXJQXKB-JXMROGBWSA-N 337.419 4.407 0 1 EIAF CCc1ccc([C@H](c2cc3ccc(OC)cc3o2)n2cncn2)cc1 13680644 BMDUQQUEADJMFC-HXUWFJFHSA-N 333.391 4.233 0 1 EIAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c[nH]c1=S 28350884 BRPAJGMIYSHGJS-NSHDSACASA-N 344.267 4.211 0 1 EIAF COc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2)cc1 38788943 MSYDERQUNYVUBQ-UHFFFAOYSA-N 340.423 4.223 0 1 EIAF COc1ccc2[nH]c([C@@H]3CCN(Cc4cccc(Cl)c4)C3)nc2c1 51076766 BUAMBZAEJUGOAF-CQSZACIVSA-N 341.842 4.214 0 1 EIAF biogenic CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2c1ncn2C 66258505 QUYVVWIVLHGZSK-UHFFFAOYSA-N 338.798 4.133 0 1 EIAF CN1Cc2[nH]c3c(ccc4cnc(/C=C/c5ccccc5)cc43)c2C1=O 72140833 KKQFRKTVRWJWFP-VQHVLOKHSA-N 339.398 4.472 0 1 EIAF CO[C@@]1(C)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O 96086054 SNVXMOVBQLWNPN-ATPCUWRTSA-N 348.483 4.097 0 1 EIAF in-vitro Clc1cccc(N2CCN(Cc3cccs3)CC2)c1Cl 96283203 BPQYPRDZEFGRKD-UHFFFAOYSA-N 327.280 4.377 0 1 EIAF CN1C[C@@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@@H]1C2 100656038 WOMCGBFNBSIIEA-YYWHXJBOSA-N 349.474 4.019 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 169324259 YUEVEZWXYBGVTF-WVGOHZTBSA-N 345.527 4.301 0 1 EIAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O 169720241 VZDCHEBCDWQLCF-JEOXALJRSA-N 346.398 4.412 0 1 EIAF Fc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 587017572 NLSVQSHWZAOELI-UHFFFAOYSA-N 334.763 4.058 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(Br)c2[nH]1 587087261 CRIMGUIBLHQVGY-QMMMGPOBSA-N 342.187 4.075 0 1 EIAF C[C@@H](c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1C(F)(F)F 587098647 WDCXJWHVZKMDEA-SSDOTTSWSA-N 326.709 4.129 0 1 EIAF Cc1n[nH]c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108245 XZYLVCBFNURUHV-UHFFFAOYSA-N 325.371 4.453 0 1 EIAF Fc1cc(Br)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 587160727 CBRUYYZXBPHDIX-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Nc1cc(-c2nc3cc(Br)cnc3[nH]2)c2ccccc2c1 587251684 LIOJDJAIDXFXLF-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(C(F)(F)F)c1)O2 587380204 CECPFKLZNRWPNT-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(C)cc1-n1cccn1)O2 587390205 FTKLOAHMZAXDGU-LJQANCHMSA-N 347.418 4.086 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4ccccc14)[C@@H](C2)C3=O 587453065 XBQOZBXGAXPVAT-YCRPNKLZSA-N 332.355 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OC)C1(CC)CC 587485050 YDXYSJKOCJAXBU-XLIONFOSSA-N 332.440 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1csc(C(C)=O)c1)CC2=O 587492173 BGPPODFYPSYHGY-INIZCTEOSA-N 330.405 4.315 0 1 EIAF O=C1C[C@@H](c2c(F)cc(O)cc2F)Oc2c1ccc1c2CCCC1 587509080 WDSSDGYKIPBXDV-KRWDZBQOSA-N 330.330 4.256 0 1 EIAF CC1(C)C[C@]2(C)O[C@@H]2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536897 YAHYHOQEVMTUIQ-SESVDKBCSA-N 326.436 4.247 0 1 EIAF CC(C)SC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587839502 HJWLREGDKDJHJH-BXKDBHETSA-N 332.282 4.305 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)cs1 587864928 VFMSQQIIVUTUKL-UHFFFAOYSA-N 339.342 4.332 0 1 EIAF O=C(O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 653721394 JPRQHZAMIKQUCB-UHFFFAOYSA-N 332.450 4.134 0 1 EIAF CCOC(=O)C[C@]1(CC(C)C)c2ccc(F)cc2C[C@@H]2CCCN21 963113454 UMLOSAQXNHTGMF-FXAWDEMLSA-N 333.447 4.041 0 1 EIAF CCN(C(=O)c1c(-c2cccs2)noc1[C@@H](C)O)C1CCCCC1 2356528973 OIERWGCAWSDUJH-GFCCVEGCSA-N 348.468 4.251 0 1 EIAF COc1cc(C=CC(=O)O[C@H]2C[C@@]3(C)CC[C@H]2C3(C)C)ccc1O 2356651157 DDKIZPUZACBOPC-CFLQYTFWSA-N 330.424 4.172 0 1 EIAF O=C(NC1CCCCC1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391255 VVECFBVQWYUPCJ-UHFFFAOYSA-N 337.345 4.158 0 3 EIAF COc1ccc2c(c1)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2 13449450 COHVPSBMXDXOIU-FQEVSTJZSA-N 349.474 4.353 0 1 EIAF CC(C)C(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(O)c1 28523900 RWHZJARPZMHJTG-SFHVURJKSA-N 342.826 4.379 0 1 EIAF Cc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NC(C)C)cc12 28823956 BGENYXBKHAIHOL-UHFFFAOYSA-N 335.407 4.131 0 1 EIAF COc1ccccc1/C=C/CC(=O)NCCCCCCCCC(=O)O 39028909 FMKDYESURYLRDC-ZRDIBKRKSA-N 347.455 4.030 0 1 EIAF Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(-c2ccccc2)s1 40864280 ZZPIFVRNMOTOFS-GDNBJRDFSA-N 335.384 4.080 0 1 EIAF O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1 63298529 WKEYMNLZBZKLOG-UHFFFAOYSA-N 340.386 4.217 0 1 EIAF O[C@@H](Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl 95576773 QQLQMLIMLXODOV-INIZCTEOSA-N 340.254 4.366 0 1 EIAF CSc1ccc(NC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)cc1 169354013 ZRWHPGMGVHAHSO-ZUVMSYQZSA-N 339.416 4.345 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(CO)[C@@H]3CC[C@]12C 253635606 SHRUZOYPFWLBFR-COXXTLHVSA-N 332.484 4.243 0 1 EIAF CCSC[C@H](C(=O)c1ccc(OC)cc1)n1cnc2ccccc21 473109509 SMZCEPIPKABJEX-GOSISDBHSA-N 340.448 4.222 0 1 EIAF O[C@@H]1C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 586905114 YREOWPWEFLJWMA-ZWNOBZJWSA-N 347.187 4.034 0 1 EIAF Cc1ncc(-c2nc3cc(Cl)ncc3[nH]2)c(C)c1Br 586978710 CRRYBFNKBCBTFB-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF Cc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2c(C)n1 586979125 HKIPHRNNISZOTL-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF CO[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993155 UKVHAODZPQOIOU-MRXNPFEDSA-N 331.371 4.176 0 1 EIAF Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1C 587007431 XONCSUNEOATFOB-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF Fc1c(F)c(F)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1F 587034500 GUJFVSATZUZRMT-ZETCQYMHSA-N 342.317 4.037 0 1 EIAF Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1C 587037942 AUWPJKNMCVLKCF-UHFFFAOYSA-N 345.428 4.045 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 587069386 JJGYYJBBIDMICV-SNVBAGLBSA-N 342.782 4.291 0 1 EIAF Cc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1C 587081948 ZJHAENFVMIALIG-UHFFFAOYSA-N 327.815 4.434 0 1 EIAF COC(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 587095480 GJSFHQOZSYHCAJ-UHFFFAOYSA-N 348.324 4.268 0 1 EIAF CCOC(=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097890 UCPXNXPVOYPUQO-UHFFFAOYSA-N 331.371 4.240 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587170126 JHASWYGNOUJFCX-QLJPJBMISA-N 344.415 4.322 0 1 EIAF Cc1c(Br)cc2[nH]c(-c3cccnc3N(C)C)nc2c1C 587196190 RYRIOFOWXROWCY-UHFFFAOYSA-N 345.244 4.070 0 1 EIAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)C 587402604 ZTEUKAGDWMRSEQ-GOSISDBHSA-N 341.407 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(C)cc31)CC2=O 587486415 KXEMTINUZHWTJB-OAQYLSRUSA-N 338.403 4.296 0 1 EIAF O=C1C[C@H](c2cc(Br)no2)Oc2c1ccc1c2CCCC1 587498729 PSIKKJCHZXFPDJ-CYBMUJFWSA-N 348.196 4.022 0 1 EIAF CCC[C@@]1([C@@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522795 HSZMPCLQMQGQQY-QKKBWIMNSA-N 344.451 4.269 0 1 EIAF Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)F 587629389 NLELFUGHHXWGEY-UHFFFAOYSA-N 341.720 4.117 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(F)(F)F)N1 587709290 KEKNZFKPDIVGNL-KRTXAFLBSA-N 340.158 4.290 0 1 EIAF COc1cc(C(C)=O)c(OC)n1-c1ccc(O)c(-c2ccccc2)c1 587927868 ZEGSQEAOQDWUNR-UHFFFAOYSA-N 337.375 4.070 0 1 EIAF c1ccc2c(c1)Cc1cc([C@H]3NCCc4nc5ccccn5c43)ccc1-2 962988774 YQWLMDVAZZFVHG-JOCHJYFZSA-N 337.426 4.141 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@]31C[C@H]2CC[C@@]1(C)C2(C)C 963047928 QLJLYVIYIKNYKF-KBJGYGKASA-N 336.479 4.431 0 1 EIAF Cc1ccc([C@@]2(Cc3ccccc3)NCCc3c(C)ccnc32)cc1 963070889 HQLYBZNEJSUUPK-HSZRJFAPSA-N 328.459 4.330 0 1 EIAF c1ccc2c(Cc3nnc(Cc4nc5ccccc5[nH]4)o3)cccc2c1 1772602646 QTILXTTYIGTLDB-UHFFFAOYSA-N 340.386 4.281 0 1 EIAF c1ccc([C@H](OCCn2ccnc2)c2nc3ccccc3s2)cc1 1772607109 MRKNRQHXBIYHDI-SFHVURJKSA-N 335.432 4.299 0 1 EIAF Oc1c2cc(Br)ccc2nc(=S)n1Cc1ccccc1 4811033 GFHBHEJQFDTAPR-UHFFFAOYSA-N 347.237 4.282 0 3 EIAF CC1(C)C=C(c2cccc[n+]2[O-])c2cc(Cl)c(Cl)cc2C1=O 18514 DEOGQRAPWBMTIK-UHFFFAOYSA-N 334.202 4.281 0 1 EIAF CN(C)Cc1nnc2cc(-c3ccccc3)c3cc(Cl)ccc3n12 27322485 IIBKOOGZJUUCIK-UHFFFAOYSA-N 336.826 4.265 0 1 EIAF O[C@@H]1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 28826479 QSSJQRUIQVSAQK-SINAZASISA-N 344.458 4.117 0 1 EIAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Cl)c(Cl)c1 29415011 WITAKKXFGJUOGA-BKQLOGFTSA-N 342.266 4.265 0 1 EIAF COc1ccc(-c2n[nH]c(-c3cc(Cl)cc(Cl)c3O)n2)cc1 29565199 WRXXYOFMOSPORY-UHFFFAOYSA-N 336.178 4.160 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CC=CC(=O)O1 40917769 LMZXGEIBWUQKLA-DGYCAGFBSA-N 338.447 4.490 0 1 EIAF COc1cc(OC)cc(Oc2cc(N(C)C3CCCCC3)ncn2)c1 82067817 PSZRYGNFLPEKOP-UHFFFAOYSA-N 343.427 4.055 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169366931 WGPZAVZHAGYUOL-FIFVOOHXSA-N 331.500 4.055 0 1 EIAF Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1N1CCCCC1 200615155 OOZXUFQNIHHYMM-UHFFFAOYSA-N 333.479 4.413 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 238783765 HITLMPHPGUZLGI-BPBNPONYSA-N 334.456 4.185 0 1 EIAF C[C@@H]1CN(CCOC(=O)[C@H](c2ccccc2)[C@@H]2C=CCCC2)C[C@H]1C 263594953 CZDWKRSKCXMEKV-VURPSTOHSA-N 341.495 4.258 0 1 EIAF Cc1cc(=NCc2cccc(Cl)c2Cl)c2cccc(CO)c2[nH]1 473096081 YEJIRLMMTYBILN-UHFFFAOYSA-N 347.245 4.376 0 1 EIAF O=C(NCCCCCCn1ncc2ccccc21)Oc1ccccc1 473121861 HWVYYGQZWFCVSL-UHFFFAOYSA-N 337.423 4.385 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c32)n1 586880839 SYJJKMKFOZABCQ-YRNVUSSQSA-N 329.359 4.288 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ccns3)nc3ccc(O)c1c23 586994298 XOAIXTMOEAWICR-UHFFFAOYSA-N 330.368 4.275 0 1 EIAF COc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1F 587016009 DUYUEQUZZMIJHS-UHFFFAOYSA-N 329.356 4.403 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(OC)cc(OC)cc3[nH]2)n1 587078906 CUTZGTVRQKNYKI-SECBINFHSA-N 334.807 4.068 0 1 EIAF O=C(O)CCCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587211701 JHBMYVQQZJWPHD-UHFFFAOYSA-N 333.387 4.244 0 1 EIAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3[C@H]2C1)CC5 587211784 IIXMYIGQNYTINI-HIFRSBDPSA-N 336.435 4.155 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(C3CC3)c1F)O2 587386697 WIGVUOURGAUYDN-FQEVSTJZSA-N 325.383 4.474 0 1 EIAF CC[C@H](C)Oc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401497 ROAMUVZMEBBREK-DJJJIMSYSA-N 325.408 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)nc1)CC2=O 587462504 QQAPPWDLTKOKMT-SFHVURJKSA-N 331.799 4.274 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614793 ULQYAEFDYWMVNE-LPHOPBHVSA-N 338.384 4.465 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587778707 PYZBDRUSDCKUAH-UHFFFAOYSA-N 336.313 4.445 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)cc2)N1 587817403 BTHYXEHRWPLIAC-DYZYQPBXSA-N 348.215 4.024 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2[C@H](C)Cc1ccccc1 963604069 DQGYWRYDKHQUBV-WIEQDCTASA-N 325.452 4.158 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](C)(O)C3 2356376055 NQZVMGVMAPPTFX-CWQYXLLMSA-N 334.500 4.323 0 1 EIAF CC1(C)[C@H]2CCC3=C[C@](C)([C@@H]4COC(=O)O4)CC[C@H]3[C@]2(C)CC[C@H]1O 2356445440 BGSJFVGLRGGPJP-RDNOGQQASA-N 348.483 4.462 0 1 EIAF CC1=C[C@H](CNc2ccccn2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356577556 HOOVOIKKLPLEMQ-RCCFBDPRSA-N 340.471 4.282 0 1 EIAF CCc1c(C2(O)CCCCC2)[nH]c2c(C(=O)OC)cc(Cl)cc12 15935739 ZHRWGHHVHDLYBI-UHFFFAOYSA-N 335.831 4.322 0 3 EIAF COc1cccc([C@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1 61898815 WAWLVAOBTQWRMK-INIZCTEOSA-N 348.324 4.186 0 3 EIAF COC(=O)c1c(-c2ccc(N(C)C)cc2)sc2ccc(OC)cc12 61948076 QKEZZEIJAOYMNK-UHFFFAOYSA-N 341.432 4.430 0 3 EIAF CCOc1ccc(N[C@@H](C(=O)c2cccn2C)c2ccccc2)cc1 13645934 ZMKFRIYQUKILJQ-HXUWFJFHSA-N 334.419 4.460 0 1 EIAF C[C@H]1CCC[C@@H](/C=C/[C@@H]2[C@@H]3CCCC[C@@H]3C[C@H]3C(=O)O[C@H](C)[C@H]23)N1C 14439461 FMPNFDSPHNUFOS-QIWARRGTSA-N 345.527 4.419 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904356 HQWPPVLSHLFTDY-RHEBHXSJSA-N 329.484 4.180 0 1 EIAF CC(=O)Nc1ccc2c(c1)[C@]1(C)CCN(Cc3ccccc3)[C@H](C2)[C@H]1C 36126829 FTFOZMMDMFOELO-ZGNKEGEESA-N 348.490 4.369 0 1 EIAF CCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1 66100569 UJOGRXYWXUVXCF-UHFFFAOYSA-N 339.345 4.437 0 1 EIAF CCCCc1ccc(CCc2ccc(O)c(OCCCCO)c2)o1 85624495 HDJNYKVZASTIOY-UHFFFAOYSA-N 332.440 4.264 0 1 EIAF biogenic,in-vitro COc1cccc(-c2nc(N)sc2C(=O)c2ccccc2Cl)c1 113415248 HJSJXCYBKUCTOW-UHFFFAOYSA-N 344.823 4.285 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](O)C[C@]4(C)CC[C@H]32)C1 255259445 PLEUIMUJHJRAMH-YZUCACDQSA-N 334.500 4.322 0 1 EIAF C[C@@H]1N=C[C@]23CC[C@@H]4[C@@H](CC=C5C[C@@H](NC=O)CC[C@@]54C)[C@@H]2CC[C@H]13 255261064 QKXFAIFVGUITJR-KBUSTJNMSA-N 340.511 4.133 0 1 EIAF COc1cc2nc(C)c(-c3ccc(N(C)C)nc3)c(O)c2cc1Cl 299830843 YHJAWITZYWXYPX-UHFFFAOYSA-N 343.814 4.039 0 1 EIAF Oc1ccccc1C1(c2nc3ccc(Br)cc3[nH]2)CC1 586896653 HDQURNYURVBFHR-UHFFFAOYSA-N 329.197 4.111 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586911612 MDGTVNDJBUOJGB-LIRRHRJNSA-N 336.439 4.067 0 1 EIAF CCc1cc(O)nc(SCc2nc3cc4ccccc4cc3[nH]2)n1 586966495 GEIKMBXGRRSDIX-UHFFFAOYSA-N 336.420 4.066 0 1 EIAF Fc1cc(F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587076926 PGWBIOXZWGLXHL-AWEZNQCLSA-N 333.725 4.112 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(N)c(N)cc2[nH]1 587114609 VGRQTGVUWVRGNP-VIFPVBQESA-N 334.345 4.092 0 1 EIAF O=C(c1nc2cc3[nH]ncc3cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132765 HAMOZSIRICDQGM-UHFFFAOYSA-N 349.152 4.116 0 1 EIAF Cc1c(Br)ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587176723 PVJCURRFNSYFDK-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1F)CC2=O 587465401 DCMXFPSKPUQMRP-SFHVURJKSA-N 330.355 4.199 0 1 EIAF CCCOc1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518568 LGQSMHCKEKSTMA-IBGZPJMESA-N 337.419 4.456 0 1 EIAF C[C@]1([C@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600671 BRSWVCSJJUYLIX-LKSUOLRUSA-N 348.398 4.325 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587962357 HXXUTJUZLOQCFA-SFYZADRCSA-N 341.636 4.137 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587963360 UGYFEPCKCSDKNJ-CQSZACIVSA-N 338.407 4.185 0 1 EIAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccccc1 1857600494 DCTKMECWXQWNAO-UHFFFAOYSA-N 326.193 4.393 0 1 EIAF COCc1cccc(-c2csc([C@H](O)c3cccc(OC)c3)n2)c1 61902468 ZUSBECPDOGFQEA-GOSISDBHSA-N 341.432 4.047 0 3 EIAF Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1 1912557 FGGSNQOBRJVAKL-UHFFFAOYSA-N 325.441 4.027 0 1 EIAF in-vivo O=C(O)[C@H]1CCCN(CC[C@@H](Cc2ccccc2)c2ccccc2)C1 13729498 ZMLFETNLPXOENJ-SFTDATJTSA-N 337.463 4.200 0 1 EIAF c1ccc(C(CCc2nc(CCNC3CC3)c[nH]2)c2ccccc2)cc1 13805872 LFLLCHUEUFSETE-UHFFFAOYSA-N 345.490 4.469 0 1 EIAF Cc1cc([C@@H](O)[C@@H]2CCCCN2)c2cc(Cl)cc(Cl)c2n1 27523740 QIXTUMJGEJXBCI-GOEBONIOSA-N 325.239 4.026 0 1 EIAF CCSc1nc(O)c(CC)c(C(=O)c2cccc3ccccc23)n1 28634979 HFZFAFPGCKAYAE-UHFFFAOYSA-N 338.432 4.241 0 1 EIAF CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 29126861 MMSRUGATWVGJOC-UHFFFAOYSA-N 345.402 4.147 0 1 EIAF CC(C)N1C(S)=N[C@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 39290306 XGYJGQKYIGFKIF-QGZVFWFLSA-N 344.411 4.158 0 1 EIAF Cc1cccc(C)c1Sc1[nH]c2nc(N)nc(N)c2c1C(C)C 40407759 BTJJARTUWGTJNI-UHFFFAOYSA-N 327.457 4.014 0 1 EIAF COc1ccccc1OCCn1cc(C(=O)O)c2ccc(Cl)cc21 70725539 FEWXIQYEQYFVHH-UHFFFAOYSA-N 345.782 4.081 0 1 EIAF Cc1ccccc1-c1nc(N2CCCC2)ncc1-c1nc(C)c(C)o1 82177347 FZYXDKXYKXCGBE-UHFFFAOYSA-N 334.423 4.324 0 1 EIAF COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@H]2CC[C@H]1O2 101501337 ZQVAZFQVPHFFCY-UKRRQHHQSA-N 326.417 4.293 0 1 EIAF CCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(C)cc2)CC1 101803796 XEBMWQZLVCEBOE-UHFFFAOYSA-N 345.490 4.302 0 1 EIAF CCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143694678 LNVVEUKUZOFIBW-LBPRGKRZSA-N 345.370 4.179 0 1 EIAF COc1cc(/C=C\C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O 199530318 PKAIECBWQZFYRP-QDJHKVQXSA-N 330.424 4.172 0 1 EIAF OCC12CCC(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)(CC1)CC2 586895599 OXLIULPSYPVOJV-UHFFFAOYSA-N 342.336 4.305 0 1 EIAF O[C@@H]1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 586904260 SENXOJYICVYDCN-MEBBXXQBSA-N 336.288 4.290 0 1 EIAF C[C@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586961614 KLQSCEYBNVCYEB-LBPRGKRZSA-N 337.448 4.442 0 1 EIAF O=C1c2ccccc2-c2cc(C3(O)CCCCC3)nc3ccc(O)c1c23 586991905 QWAZZPFOLVGWGK-UHFFFAOYSA-N 345.398 4.304 0 1 EIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnncc4[nH]3)c21 587030322 CPMWRIUNWHOXOC-NSHDSACASA-N 335.436 4.312 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 587059325 PGLMBVSPDOQDSR-JTQLQIEISA-N 341.629 4.161 0 1 EIAF CC(C)(C)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2n1 587059953 WBLYIHPQQIMATO-CYBMUJFWSA-N 328.847 4.151 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085523 XVUKGGDRGSHOBB-MRXNPFEDSA-N 337.770 4.155 0 1 EIAF Cc1cc(Br)c2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2c1 587174996 VBZPIRKDSFERLE-CQSZACIVSA-N 347.187 4.449 0 1 EIAF CCc1ccccc1NC(=O)c1nc2c(Br)cccc2[nH]1 587241567 WMMBSLAXMPLZBD-UHFFFAOYSA-N 344.212 4.140 0 1 EIAF Nc1ccc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)cc1 587251577 IZKFRLHROIZQJR-ZZXKWVIFSA-N 332.176 4.217 0 1 EIAF CCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358330 XIYZTPVXMMSQKG-UYAOXDASSA-N 342.366 4.018 0 1 EIAF C[C@@H]1SCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587371394 DGEJORNTJMHAAG-OWOPXTPDSA-N 344.407 4.154 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1F)(C1CC1)O2 587386131 SCUJHCZJIKKOJO-HXUWFJFHSA-N 325.383 4.073 0 1 EIAF CCCn1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587431103 MOZZXLJBWCCELV-UZLBHIALSA-N 325.408 4.012 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(CC(C)C)[C@@H](C2)C3=O 587445149 ZJZOPKALBKAQNG-PGRDOPGGSA-N 336.431 4.470 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccccc1)[C@@H](C2)C3=O 587448173 ZVKGCPZIVWVFTN-NRJQMVOHSA-N 334.415 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CCC(=O)O)CC2=O 587488503 KIEORQPQRGWRTJ-RNODOKPDSA-N 346.423 4.104 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CCC(=O)O)CC2=O 587488506 KIEORQPQRGWRTJ-XCLFUZPHSA-N 346.423 4.104 0 1 EIAF O=C1C[C@]2(CCc3ccc(Cl)nc32)Oc2c1ccc1c2CCCC1 587497076 FJLJWUDGFKNMAV-FQEVSTJZSA-N 339.822 4.421 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3ccc(Cl)nc3[nH]2)CC1 587970500 IPGWLWDOBSVLQH-UHFFFAOYSA-N 325.799 4.041 0 1 EIAF CCC[C@]1([C@H](CC)C(=O)OC)c2c(F)cccc2C[C@H]2CCCN21 963087392 CMROWYXILWWGSX-QINHECLXSA-N 333.447 4.041 0 1 EIAF O=C(O)c1cccc2c1CCNC21CCC(C2CCCCC2)CC1 963129957 HNEHEAGLRZRCBT-UHFFFAOYSA-N 327.468 4.496 0 1 EIAF CCc1c(-c2ccc3c[nH]nc3c2)cnc(N)c1-c1ccc(O)cc1 1772655281 QWOJJRNXIZVDOA-UHFFFAOYSA-N 330.391 4.142 0 1 EIAF Cc1ccc(Nc2ccc3c(c2)[C@@](O)(Cc2ccccc2)C(=O)N3)cc1 1857588948 LITVPNILVLLFFJ-QFIPXVFZSA-N 344.414 4.121 0 1 EIAF CCOC(=O)c1c(C)nn(-c2ccccc2)c1-c1ccc(N(C)C)cc1 1857655019 ZGFQABGHHHZFMT-UHFFFAOYSA-N 349.434 4.090 0 1 EIAF COC(C)(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356649065 YEXGDORSPJNFAG-SQBLYHGDSA-N 346.467 4.154 0 1 EIAF C[C@H]1CCC(=O)N(CCSc2ccc(Br)cc2)CC1 36383003 DCVRODCJEIOMIC-LBPRGKRZSA-N 342.302 4.190 0 3 EIAF CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1OC 36388625 GOMKUWMLEKDDFQ-INIZCTEOSA-N 344.798 4.105 0 3 EIAF O[C@@H](CCCCCCc1ccccc1)c1ncc(-c2ncccn2)o1 13611977 YZXSMKJXMMFIBA-KRWDZBQOSA-N 337.423 4.358 0 1 EIAF CC[C@H](C)N(CC[C@@](CC(C)C)(C(N)=O)c1ccccn1)[C@H](C)CC 27522990 SEAQJMHMJNQGCV-UEXGIBASSA-N 347.547 4.140 0 1 EIAF Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Cc1ccccc1Cl 28374393 JGGHRZWTRXUNBK-UHFFFAOYSA-N 333.840 4.124 0 1 EIAF CN1CCN(c2nc3ccccc3c3c2CC[C@H]2CCCC[C@@H]32)CC1 29340065 AFZCODAIYOWGDR-IAGOWNOFSA-N 335.495 4.207 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)c5nocc5C[C@@]43C)[C@H]1CC[C@@H]2O 31829844 YOGRZKPYNPSDSH-YROVRVBYSA-N 329.440 4.103 0 1 EIAF COc1ccc(C(=O)CCCc2ccccc2)cc1O[C@H]1CCOC1 40379734 GHQKWQXABDARHD-SFHVURJKSA-N 340.419 4.069 0 1 EIAF CN1CCC[C@H]1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 45300879 CHXGLJOIUDBPTI-IBGZPJMESA-N 333.431 4.331 0 1 EIAF Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21 63540289 QBKUOOQFSVMDPB-UHFFFAOYSA-N 345.175 4.018 0 1 EIAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 71319186 XJNXEEASXBUDAQ-LJQANCHMSA-N 349.434 4.415 0 1 EIAF N[C@H]1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O 72106333 GIALIWVNJLPIKP-QFIPXVFZSA-N 327.427 4.406 0 1 EIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(F)ccc1n2CCF 73197248 JBNWMDKNZKFUEB-CQSZACIVSA-N 334.410 4.038 0 1 EIAF Cc1cc(NCc2cccnc2)n2nc(-c3ccc(F)cc3)c(C)c2n1 95562732 KZTKDDGMFFWESH-UHFFFAOYSA-N 347.397 4.159 0 1 EIAF COc1ccc(-c2ccccc2Cl)cc1OC1CN(C(C)C)C1 96175885 MVIGZDMLVDWYRB-UHFFFAOYSA-N 331.843 4.487 0 1 EIAF c1ccc2oc(-c3cnc4ccc(NCc5ccncc5)nn34)cc2c1 147402373 AJBOLFIHFBPBBR-UHFFFAOYSA-N 341.374 4.150 0 1 EIAF COc1cc2ccc([C@](O)(c3ccncc3)C(C)C)cc2cc1OC 169338911 WLSFHVCGANYCRC-OAQYLSRUSA-N 337.419 4.144 0 1 EIAF FC(F)(F)c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 586888100 WFUKSFUHHWCSHM-YVEFUNNKSA-N 329.325 4.348 0 1 EIAF Oc1ccccc1C1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 586896333 ASRIIJSKRPCGBM-UHFFFAOYSA-N 334.297 4.247 0 1 EIAF Cc1ccc2c3c(cc(CCCN(C)C)nc13)-c1ccccc1C2=O 586995965 LGPHZEHTBVRQRQ-UHFFFAOYSA-N 330.431 4.249 0 1 EIAF Clc1cccc(-c2nc(-c3nc4ncc[nH]c-4n3)cs2)c1Cl 587015838 UTQJFZQHYKUSPR-UHFFFAOYSA-N 348.218 4.402 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C)c(C)c2[nH]1 587064548 CCDUERWRTBNLHL-UHFFFAOYSA-N 344.798 4.233 0 1 EIAF CCOC(=O)c1ncc(Cl)cc1-c1cc2c3c(cccc3n1)CC2 587209764 WURRMHORXAQQOW-UHFFFAOYSA-N 338.794 4.226 0 1 EIAF COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587498764 GLYZLJNIIYVNNT-QGZVFWFLSA-N 343.810 4.329 0 1 EIAF Cc1c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cnn1C 587629269 HOAYVLKCRWQZNM-UHFFFAOYSA-N 341.720 4.117 0 1 EIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3)[nH]c12 587638111 JFTQNKVOEAZXDA-UHFFFAOYSA-N 333.265 4.278 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(Cl)c2[nH]1 587787869 RZIIHIGZMAVCSQ-UHFFFAOYSA-N 328.799 4.349 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC(=O)C(C)(C)C)N1 587813052 MPXCFOPOEAIBEI-XPTSAGLGSA-N 342.252 4.169 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 587952976 YMLUIBPVARSCKZ-XSRFYTQQSA-N 340.826 4.433 0 1 EIAF FC(F)(F)Oc1cc(Br)c2[nH]c(CC3CC3)nc2c1 587960340 ZVKKMHMAMILKRP-UHFFFAOYSA-N 335.123 4.177 0 1 EIAF Cc1ccccc1[C@@]1(CC(C)C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963034953 VXAOJFBNOHNZTE-UZUQRXQVSA-N 348.490 4.338 0 1 EIAF Cc1sc2c(c1C)CCN[C@@]2(C)[C@@H]1CCc2ccccc2C1=O 963035105 YXAIYSRXSIGERF-XLIONFOSSA-N 325.477 4.171 0 1 EIAF O=C1SC(SCc2ccccc2)=N[C@]12C[C@@H]2c1ccccc1 1658328 LIJGKDZNDFHBDY-QAPCUYQASA-N 325.458 4.476 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 13401980 FEOFLRVZBOQGQA-MPRPZVOOSA-N 332.440 4.113 0 1 EIAF CCCCC[C@@](O)(C(=O)NCCCc1ccccc1)c1ccccc1 13586435 WMNMITZJUSQFRG-QFIPXVFZSA-N 339.479 4.204 0 1 EIAF O=C(O)c1ccc(-c2ccnc(Nc3cccc(Cl)c3)n2)cc1 29126391 ULVLDPPOILTDEH-UHFFFAOYSA-N 325.755 4.239 0 1 EIAF OCc1ccc(-c2nn(Cc3ccccc3Cl)c3ccccc23)o1 38317690 ZXXRTMYNORVQQS-UHFFFAOYSA-N 338.794 4.490 0 1 EIAF O=C(c1c[nH]c2ccccc12)c1nccc2c1[nH]c1ccc(O)cc12 73140770 XKBPNDQEYIFWNY-UHFFFAOYSA-N 327.343 4.134 0 1 EIAF O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2c(O)cccc12 73240636 XATGVULJDJUKDI-UHFFFAOYSA-N 348.446 4.011 0 1 EIAF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2ccccc2F)n1 82152282 RLVNXVUBYUNEBD-CYBMUJFWSA-N 344.434 4.023 0 1 EIAF COc1ccccc1Cc1cc2c(C)c(OC)c(C)c(C)c2oc1=O 96270882 OCIKJMOYJJXYOY-UHFFFAOYSA-N 338.403 4.326 0 1 EIAF Oc1ccc(-c2nc(-c3ccc(Oc4ccccn4)cc3)no2)cc1 149015434 QQJSTZXPKZJBJG-UHFFFAOYSA-N 331.331 4.297 0 1 EIAF CCOC(=O)Nc1ccc(Nc2ncnc3sccc23)cc1C 473145729 ZIKVLGJYVJWPSD-UHFFFAOYSA-N 328.397 4.312 0 1 EIAF O=C1O/C(=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)c2ccccc21 586907106 SCRDMVOLNFJMQT-IZZDOVSWSA-N 332.693 4.163 0 1 EIAF CCCC(Br)(CCC)c1nc2ccc(OC)nc2[nH]1 586971738 XHEFPVDLUWFHPL-UHFFFAOYSA-N 326.238 4.157 0 1 EIAF CCOC(=O)[C@@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105623 BMHNLLFBMIDBTA-LBPRGKRZSA-N 331.371 4.113 0 1 EIAF Fc1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587196623 UEAJBXRNOQQOGS-UHFFFAOYSA-N 332.382 4.304 0 1 EIAF CCOC(=O)CNc1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 587227779 WUGIGUKDNMYNNW-UHFFFAOYSA-N 343.814 4.167 0 1 EIAF CC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357948 XGTVUILZYVRQTR-UYAOXDASSA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(C(F)(F)F)c1)O2 587383423 WQAHIAVDTPUKKT-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1cccc(N)c1)(C(C)C)O2 587392463 ZRDRGHDFZUTDNB-NRFANRHFSA-N 338.451 4.152 0 1 EIAF CCCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587400864 SBRSTHVDPXZTRB-GOSISDBHSA-N 341.407 4.081 0 1 EIAF O=C1C[C@H](c2ccc3c(n2)NCCC3)Oc2c1ccc1c2CCCC1 587524069 JODNOVGAMGPSDW-LJQANCHMSA-N 334.419 4.025 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccncc2)N1 587779736 VMEJHOUGDVCAJX-HTGWVMICSA-N 347.231 4.272 0 1 EIAF Clc1c[nH]c2nc(Cc3ccccc3Oc3ccccc3)nc-2n1 587948428 CHFGNTLOYJTHCP-UHFFFAOYSA-N 336.782 4.341 0 1 EIAF C[C@H]1S[C@H](c2ccc(Cl)cc2)c2cc3c(cc2NC1=O)OCO3 1772606755 GZPDGZQJBIKHCW-JDNHERCYSA-N 347.823 4.232 0 1 EIAF C[C@H]1C(=O)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]21 2356392748 NROZBIHZZUIGDJ-DMMVKSJISA-N 344.495 4.098 0 1 EIAF CC=C1[C@H]2C[C@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@@H]1OC)CCN3C 2356756217 JBSGCOASAIDQQP-KZCJGOGDSA-N 338.451 4.028 0 1 EIAF CC(=O)c1ccccc1N[C@@H](C(=O)Nc1c(C)cccc1C)C1CC1 206051207 ZAKVYNKOVLKQMP-HXUWFJFHSA-N 336.435 4.335 0 3 EIAF Cc1c(-c2cccc(C(F)(F)F)c2)n2c3c(cccc13)C(=O)NCC2 3832212 HZGLQVMBKDBTTA-UHFFFAOYSA-N 344.336 4.379 0 1 EIAF Cc1ccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)nc1 13673118 GECQQZYIAKPBAX-YAUKAEPRSA-N 325.452 4.407 0 1 EIAF C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(-c2ccccc2)cc1)C(C)(C)C 13806406 PHRICUKYINNFSR-KQWBJWIBSA-N 348.446 4.208 0 1 EIAF Cc1ccccc1C(=O)c1cc(C)c(O)c(C(=O)c2ccccc2)c1 28387463 LYJMLIJEQYCWSA-UHFFFAOYSA-N 330.383 4.471 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4C(=O)[C@@H]3CC[C@@H]12 35875989 YSMSCOUXKWVCGA-HRPNNTJESA-N 330.424 4.030 0 1 EIAF O=C1CCc2cc(-c3cncc(-c4ccccc4)c3)cc3c2N1CC3 71318759 AUBXIDQQPRBENL-UHFFFAOYSA-N 326.399 4.251 0 1 EIAF Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2C)o1 82177424 DMPWYRLJXKXTAW-UHFFFAOYSA-N 334.423 4.406 0 1 EIAF CC1=Nc2[nH]ncc2[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1 169724250 AKKHFLXIVNXGTD-ZWKOTPCHSA-N 348.381 4.042 0 1 EIAF O=C1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2CCCN12 206187687 XGRIJLUQHBJDKB-OAHLLOKOSA-N 347.336 4.369 0 1 EIAF c1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299834857 CPZPQVHIEKHBJM-HXUWFJFHSA-N 333.435 4.087 0 1 EIAF CCN(CC)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1 473129042 FCCPLHFNENDQOS-UHFFFAOYSA-N 337.419 4.214 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896927 USTGVUHKOPVFGD-IBGZPJMESA-N 344.374 4.326 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C)c(C)c2[nH]1 586964260 WGXBWHZTBCOOBO-CYBMUJFWSA-N 328.441 4.227 0 1 EIAF COc1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005619 NDPPNXYVAQJUSM-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Cl)c1O 587045688 CCUIXBNCJOUTBF-UHFFFAOYSA-N 344.585 4.299 0 1 EIAF Cc1c(Br)ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c12 587079936 PILLHMWYCIFYJS-QMMMGPOBSA-N 339.624 4.093 0 1 EIAF Fc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)nc1Br 587155900 VCKDTIHHGNWTIP-UHFFFAOYSA-N 346.203 4.405 0 1 EIAF Nc1cc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2cc1N 587159013 VEMBZCRMNFHREP-UHFFFAOYSA-N 346.365 4.013 0 1 EIAF Fc1cnc(-c2cc3c4c(cccc4n2)CC3)c(Br)c1 587213982 UQZJWJMWMSOHDO-UHFFFAOYSA-N 329.172 4.297 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(Cl)cc3C1)O2 587380051 OSXFCFSERDFWHR-IBGZPJMESA-N 327.811 4.124 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1C)[C@@H](C2)C3=O 587432782 ZDNYEPYTGQRSMU-KSFYIVLOSA-N 345.398 4.283 0 1 EIAF CC(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512809 PRRQDJSQFIGYSP-FQEVSTJZSA-N 335.403 4.230 0 1 EIAF O=C1C[C@H](CCc2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 587536754 WEZJVQACDJFRJD-SFHVURJKSA-N 348.442 4.467 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C2CC2)N1 587758993 ZEEYBIWDIXJMSA-QGHHPUGFSA-N 349.247 4.348 0 1 EIAF CC(C)[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813362 BWDRCYQJJOQEBF-QFYYESIMSA-N 326.253 4.384 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2)N1 587815726 PDTHGMILCPQRFB-PIGZYNQJSA-N 334.232 4.386 0 1 EIAF O=C(c1ccc(F)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873812 NSNJEJVRFNDUHX-UHFFFAOYSA-N 332.693 4.276 0 1 EIAF O=C(O)/C=C/C=C\c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587969954 XEVIDXDTLZGQNF-KYPMKJFLSA-N 347.399 4.494 0 1 EIAF Cc1ccc(C)c([C@@]2(c3ncccc3C)NCCc3ccc(O)cc32)c1 963329642 QEFWRABJVCNTQQ-HSZRJFAPSA-N 344.458 4.150 0 1 EIAF Fc1cccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)c1 1857762990 IOSVJICCZHMWDA-UHFFFAOYSA-N 335.338 4.106 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C=C[C@]2(C)O)Oc2ccc(O)cc2C[C@@]13C 2356799508 UNJQRWVMOXUQOP-WXEYHOATSA-N 328.452 4.075 0 1 EIAF Cc1ccc(C2=NO[C@@](C)(c3nnc(-c4ccc(F)cc4)o3)C2)cc1 13478363 ZCJMVDORRPXWSX-LJQANCHMSA-N 337.354 4.224 0 3 EIAF Cc1ccc(C2=NO[C@](C)(c3nnc(-c4ccc(F)cc4)o3)C2)cc1 13478365 ZCJMVDORRPXWSX-IBGZPJMESA-N 337.354 4.224 0 3 EIAF COc1ccccc1[C@@H]1CN(Cc2cccnc2)Cc2ccccc2O1 12127986 NVHJIQNJVYPAMQ-QFIPXVFZSA-N 346.430 4.226 0 1 EIAF Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 13745743 LLOAJMWVAODKLQ-UHFFFAOYSA-N 335.451 4.255 0 1 EIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 13782824 RWZFXPOJQFVTQX-UHFFFAOYSA-N 349.474 4.342 0 1 EIAF C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1C 26577063 QDBZAAWPKCEIBY-QZTJIDSGSA-N 335.495 4.209 0 1 EIAF CCCCO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27557771 JFGWMAWFJDEKOI-LJQANCHMSA-N 342.826 4.272 0 1 EIAF O=C(O)[C@H]1Cc2cc(Cc3cccs3)c(Cl)c(Cl)c2O1 27991114 UPSZYRSIIIRPCZ-SNVBAGLBSA-N 329.204 4.034 0 1 EIAF Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C(F)(F)F)CC1 28571476 YHGJKEPHPBNDOA-UHFFFAOYSA-N 340.393 4.015 0 1 EIAF CCN(CC)CCCNCCCNc1ccnc2cc(Cl)ccc12 29053986 AMGGFYJXAZVLEH-UHFFFAOYSA-N 348.922 4.012 0 1 EIAF CN(C(=O)c1ccccc1)[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 39214047 DJUAULFEHDSMRA-CQSZACIVSA-N 340.373 4.076 0 1 EIAF CC(C)c1ccc(O)c(CC[C@@H]2[C@@](C)(O)CCC[C@@]2(C)C(=O)O)c1 45336637 AIWPRIHXTFECLS-SXLOBPIMSA-N 334.456 4.090 0 1 EIAF biogenic Nc1ncc(-c2sccc2C2CC2)nc1C1CCC(C(=O)O)CC1 58638579 UESQMXBXMMVHBA-UHFFFAOYSA-N 343.452 4.023 0 1 EIAF in-vitro CCCN1CCc2c([nH]c3ccc(O)cc23)[C@H]1c1cccc(OC)c1 71296035 DLAYPYPWQCNBTC-OAQYLSRUSA-N 336.435 4.240 0 1 EIAF COC(=O)c1cccc(CSc2ccc3c(C)cc(=O)oc3c2)c1 82151188 HPLVESZBZLDSKK-UHFFFAOYSA-N 340.400 4.180 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@]21C 85767810 GBHOTPKNLQPMRP-VHZJELHWSA-N 330.424 4.028 0 1 EIAF COc1ccc(C(F)(F)F)c(NC(=O)c2cc(Cl)ccc2O)c1 95593668 DMYHLSJSKJBSQX-UHFFFAOYSA-N 345.704 4.325 0 1 EIAF CC(C)(C)c1ccccc1OC1CCN(C(=O)c2ccccn2)CC1 96177567 SHJPHAPMYYIOPL-UHFFFAOYSA-N 338.451 4.063 0 1 EIAF O=S(=O)(c1ccccc1)N(CCCF)c1cc2ccccc2s1 115231681 JVOAYSPIGBPITA-UHFFFAOYSA-N 349.452 4.456 0 1 EIAF O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1C(F)F 147532585 KJKGLIHTRDRMEQ-UHFFFAOYSA-N 346.362 4.076 0 1 EIAF O=C(Nc1ccccc1C(F)(F)F)c1ccc2cccc(O)c2n1 474608410 LKIIMTNPWBRPBR-UHFFFAOYSA-N 332.281 4.212 0 1 EIAF c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 586893505 ZQUAXXKTFWBFOF-VFNWGFHPSA-N 332.403 4.096 0 1 EIAF Fc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1F 587004958 GHSSUYDOSAUNFC-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2c(C)n1 587005923 ZTMDZOONUGXJOA-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)cc2[nH]1 587155915 OMUKTBWISIRDOO-HNNXBMFYSA-N 328.343 4.019 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](Cl)(C3)C2 587373376 CVOVMILCEMLSPK-BHQWZZQESA-N 331.843 4.099 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1C)(C1CC1)[C@@H](C2)C3=O 587444650 FLIDCAYHVHKEIA-AVRDEDQJSA-N 334.415 4.143 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3[nH]ncc13)CC2=O 587484897 OLZFWYHWGAANRL-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF O=C1C[C@H](c2cnc(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 587502652 SHCGVKSIDMGHDB-MRXNPFEDSA-N 329.783 4.026 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794176 TVBHKMBBNWHZMB-XXFAHNHDSA-N 337.236 4.102 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587952191 MNSVMVGFQFJYEZ-WRSAYESZSA-N 341.455 4.494 0 1 EIAF CN1CC[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@H]2CCC[C@H]21 962669777 SNTXTGFIFHWABM-YTFSRNRJSA-N 332.491 4.199 0 1 EIAF CC[C@@]1(c2ccc(O)c(OC)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963097581 FXLKVIIRICAZED-LAUBAEHRSA-N 341.426 4.214 0 1 EIAF CN(C/C=C/c1cccc(Cl)c1)Cc1ccc2c(c1)OCCO2 1857536723 OPSICHJBHISYFS-HWKANZROSA-N 329.827 4.256 0 1 EIAF CCOc1cc(O)c2c(c1)C=CCCC[C@H](O)CCC[C@H](C)OC2=O 1857743508 AVNJXMDNLVPHGQ-HOCLYGCPSA-N 348.439 4.065 0 1 EIAF COc1ccc2c(c1)c1ccnc3c1n2CN(Cc1ccccc1)C3 1857767993 DTTKQGJTAWOITH-UHFFFAOYSA-N 329.403 4.171 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356309286 UPBHDNBADOAHCA-FAXLKHNMSA-N 332.484 4.242 0 1 EIAF Nc1ncnc2[nH]c(Sc3cc(Cl)c(Cl)cc3Cl)nc12 13642816 XNQWZHLNMCVUGP-UHFFFAOYSA-N 346.630 4.047 0 1 EIAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@@H]2CC[C@H]1N2C 13862678 NBXHPPSAAQZXHP-RYTRXMBJSA-N 337.463 4.394 0 1 EIAF COc1cc(-c2ccc3c(c2)N(C)c2ccccc2NC3=O)ccc1N 28710762 CTGKQNCEQNFDCE-UHFFFAOYSA-N 345.402 4.278 0 1 EIAF Cc1c(Cc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO 34042123 VDHRDRYZAZGHDL-UHFFFAOYSA-N 327.255 4.205 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)(C)O)=CC3=CC[C@@H]12 34602237 MNVNTVWDBWQQCE-XWDORNJCSA-N 332.484 4.410 0 1 EIAF biogenic CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C3CCCC3)cccc21 39198782 OEDDWYFPLHBBRN-HXUWFJFHSA-N 327.424 4.478 0 1 EIAF O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12 40933949 BVEOZKOLIKNPKQ-UHFFFAOYSA-N 330.347 4.003 0 1 EIAF CCCCCOC(=O)c1ccc(Nc2ccccc2C(=O)O)cc1 62260215 RCABLKCPSGGJHX-UHFFFAOYSA-N 327.380 4.475 0 1 EIAF COc1cccc(-n2cc(O)c(-c3nc4ccccc4s3)c2N)c1 169700585 ZGUSHZWMNURFRB-UHFFFAOYSA-N 337.404 4.050 0 1 EIAF Cc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 587017162 IXCQKEWBKYIZTR-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)s2)n1 587023561 MDMUVIYLDGMFJN-UHFFFAOYSA-N 341.417 4.186 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(C)c(C)cc3c1=O)O2 587408680 NNIRJHLEBQPZSY-LJQANCHMSA-N 349.386 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)Br)CC2=O 587453489 QWTKOLLYTFUAMD-INIZCTEOSA-N 341.245 4.242 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CCCCCC(=O)O)CC2=O 587479835 CSVAOBWOGUFEGH-IBGZPJMESA-N 334.412 4.104 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCO[C@@H](C(C)C)C1)CC2=O 587494294 YBAUCVSKLWFGFB-ZNOIYHFQSA-N 332.440 4.130 0 1 EIAF CCOC(=O)C[C@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523682 MCKLROBLLIOZDW-NRFANRHFSA-N 344.451 4.269 0 1 EIAF CC(C)(O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529011 HSJTYSUKZNRALX-JOCHJYFZSA-N 336.431 4.197 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)o2)N1 587706899 SKXSMUVDFVGOGA-WJWGPLDTSA-N 344.611 4.458 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(C(C)(C)C)s1 963606540 IEGIAVSFVTVBLN-APPDUMDISA-N 346.496 4.081 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CCCC[C@]4(CO)[C@H]3CC[C@]12C 1857536595 SHRUZOYPFWLBFR-AUYGFBLUSA-N 332.484 4.243 0 1 EIAF COc1cc2c(c(O)c1C=CC(C)C)C(=O)c1c(O)cc(C)cc1C2 2356585159 FIHZWZBEAXASKA-UHFFFAOYSA-N 338.403 4.219 0 1 EIAF CCOC(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 3160305 HROQDZLNVJMEMH-VIFPVBQESA-N 328.648 4.221 0 3 EIAF CC(=O)c1ccccc1N[C@H](C(=O)Nc1c(C)cccc1C)C1CC1 206051221 ZAKVYNKOVLKQMP-FQEVSTJZSA-N 336.435 4.335 0 3 EIAF c1ccc(Sc2nc(NC3CCCCC3)c3nc[nH]c3n2)cc1 13648485 NFXCEGOWTIZWIH-UHFFFAOYSA-N 325.441 4.249 0 1 EIAF in-vivo COc1ccc(Br)c2c1CC[C@H]1[C@H](c3ccncc3)[C@@H]21 13741594 SLXPOBZDYHEQIS-NUTKFTJISA-N 330.225 4.296 0 1 EIAF C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C[C@@H](O)C(C)C 14655201 JMZZBVNSDNHLIV-BZKFBUQNSA-N 328.537 4.306 0 1 EIAF CN(C)C[C@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 28873439 YMCGWFAISRHARH-LBTNJELSSA-N 329.875 4.055 0 1 EIAF COc1ccc2c(c1)c1oc(C(=O)O)c(OC)c1n2-c1ccccc1 29390790 LTNCFABAGCHHCV-UHFFFAOYSA-N 337.331 4.092 0 1 EIAF CC[C@]1(O)CCN2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 29463589 KDJMOSOAOJQOSO-QEORTHHSSA-N 328.283 4.476 0 1 EIAF CC1CCC2(CC1)CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O 40380133 GUXZYBPVUGWOAC-UHFFFAOYSA-N 341.238 4.276 0 1 EIAF Clc1ccc2nc(COc3cc4c(cc3Cl)OCO4)[nH]c2c1 40893389 LHCULFZWMDQBLT-UHFFFAOYSA-N 337.162 4.177 0 1 EIAF CSc1ccc(C2=C(c3ccco3)C(=O)N3CCC[C@@H]3C2)cc1 40938847 SWKUCXVSDRLOOP-CQSZACIVSA-N 325.433 4.307 0 1 EIAF Cn1ccnc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45260809 BYPMRDDODQUEJN-UHFFFAOYSA-N 349.478 4.482 0 1 EIAF COc1ccc(/C=C/c2nc(Cl)c3ccccc3n2)c(OC)c1 49069654 OHUNMWUQTWEGLZ-CSKARUKUSA-N 326.783 4.471 0 1 EIAF O=C(NCc1ccc(-c2ccccc2)cc1)c1occc(=S)c1O 59114887 FLLRTZCPHNPPBY-UHFFFAOYSA-N 337.400 4.312 0 1 EIAF O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1F 66077805 MRRGWDHQTLHWIH-UHFFFAOYSA-N 342.292 4.172 0 1 EIAF COc1cc(CSc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1 82155985 CVZJGTZFOPNZTM-UHFFFAOYSA-N 342.416 4.411 0 1 EIAF COc1ccc(Cl)cc1[C@H]1C(=O)Nc2cc(C(F)(F)F)ccc21 100789282 RRSDYHBCICNUFM-AWEZNQCLSA-N 341.716 4.451 0 1 EIAF CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C[C@@H]1c1ccccc1 103082317 CFRBKWVGXJXQNV-HXUWFJFHSA-N 349.430 4.255 0 1 EIAF Cc1ccccc1N1CCN(C(=O)N(CC2CC2)c2ccccc2)CC1 169302652 WRXBEFFTYAAVMA-UHFFFAOYSA-N 349.478 4.154 0 1 EIAF Clc1ccc(C2(c3nnc4c(OC5CCC5)cccn34)CC2)cc1 299835861 YWLUWYWAKSCCPD-UHFFFAOYSA-N 339.826 4.394 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586911883 MUJFUNAKWOVLNL-LDYMZIIASA-N 349.303 4.285 0 1 EIAF Cc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587204058 HNEPAYSVHXKYHA-HNNXBMFYSA-N 331.460 4.353 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Cl)cc1Cl)O2 587377380 HDTHOXUJYIVXEI-MRXNPFEDSA-N 337.206 4.160 0 1 EIAF CC[C@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383407 ZXEAVKCDIZVZPX-GOSISDBHSA-N 335.325 4.265 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4C[C@H]1C)[C@@H](C2)C3=O 587423555 VQGUVTIDWOSPSY-YZSZRTLCSA-N 340.806 4.184 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CCCc5cccc1c54)[C@@H](C2)C3=O 587447071 KUWOHNLRTVPTEG-SRMJIJMDSA-N 332.399 4.162 0 1 EIAF C[C@H]1CC(C)(C)CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523961 JLDFCFYYWNBXTB-YEJXKQKISA-N 326.436 4.295 0 1 EIAF CCOc1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1C 587779200 YPECPKJWPYYARJ-UHFFFAOYSA-N 332.201 4.095 0 1 EIAF CSCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847179 SFBGCPLCAKTYEE-XPTSAGLGSA-N 332.282 4.091 0 1 EIAF COc1nccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955817 QBJJAZPCJYZCAH-QGZVFWFLSA-N 329.403 4.341 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587964037 YQBGZHGFLPKYSI-BDAKNGLRSA-N 328.359 4.333 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](c1ccccc1F)C(=O)N2 1857634175 CBMLEDNBJXYMIV-GOSISDBHSA-N 338.338 4.170 0 1 EIAF Clc1ccccc1Nc1cc2c(cn1)ncn2Cc1cccnc1 74388882 FQVPPVNBMPEZGL-UHFFFAOYSA-N 335.798 4.272 0 3 EIAF O=C(O)COCCCCc1ccc(CCCc2ccccc2)s1 1533879 GJCFOZVWBUJKNH-UHFFFAOYSA-N 332.465 4.347 0 1 EIAF COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ccccn1)CC2 3841689 AXPSYSNPKBQUGG-GOEBONIOSA-N 338.451 4.087 0 1 EIAF biogenic NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCCCC2 5897501 VKXUPYAFSIEKFS-UHFFFAOYSA-N 334.485 4.025 0 1 EIAF CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1 26936738 MIQBGUSHWSEBIW-UHFFFAOYSA-N 327.259 4.415 0 1 EIAF N=C(N)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 28004547 SKLGBXHPRZXVIX-UHFFFAOYSA-N 347.418 4.150 0 1 EIAF Clc1cccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)c1 28475143 ZXEVLLUICKAWHZ-UHFFFAOYSA-N 345.189 4.441 0 1 EIAF CC[C@H](c1ccccc1)N1CC[C@H](Oc2cccc3ccc(N)nc23)C1 36351504 UBLUGNHBXHKVSI-RBUKOAKNSA-N 347.462 4.421 0 1 EIAF O=C(Nc1ccc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CC1 49033893 WNNJUBCDKKEQRA-UHFFFAOYSA-N 333.366 4.298 0 1 EIAF CCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1 66103962 QVOWOYIUKZYYOJ-UHFFFAOYSA-N 339.345 4.437 0 1 EIAF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2cccc(C)c2)n1 82147028 NCRBHNCRELXUJO-CABCVRRESA-N 340.471 4.191 0 1 EIAF CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)C2)cc1 84690689 WNKSGXVIXSOVIL-UHFFFAOYSA-N 336.435 4.107 0 1 EIAF Cc1ccc(-c2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)o1 586905643 XPVRDHGZFSXTRU-UHFFFAOYSA-N 330.347 4.380 0 1 EIAF Cc1cc(C)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587003460 KSJCVJUJQSNCDE-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 587011516 ICSLARLUYIXQCD-UHFFFAOYSA-N 329.322 4.385 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CCO)cc2[nH]1 587114203 QXEBWQHOQPKSHM-LBPRGKRZSA-N 348.368 4.463 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCCCO3 587154569 DUMYSBOHDOGQHK-OAHLLOKOSA-N 342.370 4.393 0 1 EIAF Cc1cnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 587159848 VWEMXKMHHDRAIO-UHFFFAOYSA-N 343.365 4.411 0 1 EIAF COc1ncc(F)cc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587176091 MMLHMRJUPYJCJO-UHFFFAOYSA-N 343.305 4.385 0 1 EIAF C=C1C=C(C)n2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2N1 587522383 FDGNVTPVEQNJNR-IBGZPJMESA-N 347.418 4.268 0 1 EIAF CC1=CCCC(C)(C)[C@H]1/C=C(\C)c1ccc2c(O)nc(O)nc2n1 587561589 RVAUDBKADFRAQO-WONIAPNHSA-N 325.412 4.222 0 1 EIAF C[C@@H]1CCCC[C@H]1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876283 NEFZZHPGAHFUPW-ZWNOBZJWSA-N 331.416 4.096 0 1 EIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)CC)nc2c1 587956760 VZTUJGDKDGFMAJ-MRVPVSSYSA-N 325.206 4.016 0 1 EIAF CN1Cc2c(C3=CCCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772624442 RYFCUPWDDVRSSU-UHFFFAOYSA-N 348.425 4.086 0 1 EIAF O=C(c1c(O)cc(C(F)(F)F)cc1Cl)N1CCC2(CCC2)C1 1857560421 JRZXFDSGJVQNAD-UHFFFAOYSA-N 333.737 4.081 0 1 EIAF CCCCCC=CCC=CC=C[C@@H](O)[C@@H](O)C=CCCCC(=O)O 2356829974 JCPDEYQXMPRZEG-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF O[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nc3ccccc3n21 5974837 KZVAORHWOZQQCC-HXUWFJFHSA-N 332.790 4.412 0 1 EIAF COc1cccc(C2=CC[C@@H](N3CCN(c4ccccc4)CC3)CC2)c1 13470697 MCVMARUOYHWORW-JOCHJYFZSA-N 348.490 4.453 0 1 EIAF O=C(NCc1ccc(F)c(F)c1)Nc1cccc2ccc(O)cc12 13589063 VKVZYBVXAPIOHR-UHFFFAOYSA-N 328.318 4.145 0 1 EIAF CCCN[C@@H](C)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801110 AXIJJULHNAAZAD-KRWDZBQOSA-N 327.468 4.247 0 1 EIAF CC(C)CCCCCC[C@@H](O)CC(=O)N1CCC[C@H]1c1cccnc1 14684445 OLIIDXSQKLXOMR-UXHICEINSA-N 346.515 4.493 0 1 EIAF biogenic CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@]12C 17300705 HQWPPVLSHLFTDY-QSYHORGMSA-N 329.484 4.180 0 1 EIAF c1ccc2c(c1)CCc1ccccc1N2CCCCN1CCOCC1 26660525 NSCSBRMJEAVRCW-UHFFFAOYSA-N 336.479 4.036 0 1 EIAF COc1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1 40918261 SVIIMJJDMQMTAD-UHFFFAOYSA-N 337.400 4.040 0 1 EIAF C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(-c2cccc3ccccc23)c1 53243061 FZKVHQCDVIXSMY-QMHKHESXSA-N 347.458 4.439 0 1 EIAF CC(C)[C@H](C)Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1 53314431 JINDHPYXCKJQGI-LBPRGKRZSA-N 340.402 4.028 0 1 EIAF COc1cc2c(cc1OC)-c1c(-c3ccc(Cl)cc3)ncn1CC2 84617251 AWQDBAXEVBAAOQ-UHFFFAOYSA-N 340.810 4.444 0 1 EIAF CC(=O)N1CCC[C@]1(Cc1ccccc1)c1nc(-c2ccccc2)co1 84758857 JXDSWXXRALNWEU-QFIPXVFZSA-N 346.430 4.422 0 1 EIAF Cc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)[nH]n2)n1 95561128 NBSAEFNRJBINSW-UHFFFAOYSA-N 341.418 4.454 0 1 EIAF Cc1ccc(-c2cs/c(=N/C(=O)c3cccs3)n2C)c(C)c1 95582495 QHUNFNWOHWDXHV-ISLYRVAYSA-N 328.462 4.173 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 98082917 QNMBJXHTULXJII-QKYFFWMQSA-N 345.527 4.399 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586888935 KQWWEGNQOBXKTP-BONVTDFDSA-N 335.329 4.122 0 1 EIAF Oc1ccc(C2(c3nc4ccc(F)c(Br)c4[nH]3)CC2)cc1 586895831 AZFFYXNAGZEPRB-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF Cc1ccc(CSCCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 586971463 SHJMHSJBLFHGFM-UHFFFAOYSA-N 326.421 4.045 0 1 EIAF FC(F)(F)c1cnc2[nH]c(CSCc3ccsc3)nc2c1 587028440 YETWJRWQVMQJGE-UHFFFAOYSA-N 329.372 4.472 0 1 EIAF Fc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091662 MZQRLWKGNUCIED-UHFFFAOYSA-N 327.306 4.418 0 1 EIAF COc1cccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390349 MHUKSUYFGUXINQ-HXUWFJFHSA-N 348.402 4.083 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(Br)c1)O2 587410184 LXDIQKYDWBVOOT-LBPRGKRZSA-N 338.226 4.108 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O 587425298 BKFDWHVYROUOAY-UGSOOPFHSA-N 332.758 4.151 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc5ccccc5c41)[C@@H](C2)C3=O 587447196 NKQRWUBKYJLHGJ-MBSDFSHPSA-N 342.394 4.438 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccco4)c1)[C@@H](C2)C3=O 587456403 USYVFXXNIZSNJX-HRAATJIYSA-N 332.355 4.444 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)([C@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O 587457152 ZUBFCODFLHENPM-RYGJVYDSSA-N 328.408 4.064 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)C)nc1C)CC2=O 587474361 COULPJHZNANXEH-SFHVURJKSA-N 328.412 4.137 0 1 EIAF O=C1C[C@](CO)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587503485 URENGXHNOSLNTG-FQEVSTJZSA-N 342.822 4.072 0 1 EIAF CCCn1ncc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516898 GCFFDXOKLFQAQK-NRFANRHFSA-N 338.451 4.361 0 1 EIAF CC(=O)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523294 KWJQITCFILEYLN-FQEVSTJZSA-N 336.387 4.197 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)o1 587552290 PTLIFFGTQUFGLZ-MAUKXSAKSA-N 342.734 4.342 0 1 EIAF Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587960 QRFAOEUJWAEXJK-WIYYLYMNSA-N 347.370 4.107 0 1 EIAF CC(=O)Nc1cccc(C(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c1 587630695 AIPYDYQWVCMPKV-UHFFFAOYSA-N 344.773 4.458 0 1 EIAF O=C(O)Cc1c(-c2ccccc2Br)[nH]c2cc(F)ccc12 587632569 KDDBDYJIIMEFMB-UHFFFAOYSA-N 348.171 4.364 0 1 EIAF COc1ccc2c(c1OC)[C@H](c1cc(Cl)cnc1C)N(C)[C@@H](C)C2 962627228 LBCAEZFSONJGCY-VOJFVSQTSA-N 346.858 4.026 0 1 EIAF NCc1ccc2c(c1)CC[C@@]21NCCc2cc(-c3ccccc3)ccc21 962658682 DWQUGPCZADDZRG-XMMPIXPASA-N 340.470 4.148 0 1 EIAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC1CCCCC1 2356359269 HEJZWXGVBIFWIL-LLVKDONJSA-N 348.830 4.111 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@]1(C)C=Cc1ccoc1 2356486063 CZISMHZGGMHTGB-MQDHTHGESA-N 330.424 4.127 0 1 EIAF CCCCCC=CCC=CC=C[C@H](O)[C@H](O)C=CCCCC(=O)O 2356829976 JCPDEYQXMPRZEG-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF CN(CCCNc1cnnc2c(Cl)cccc12)Cc1ccccc1 9226039 IQOZVTNDXYAFAN-UHFFFAOYSA-N 340.858 4.217 0 1 EIAF CCCCC[C@H](O)CCCCC[C@@H](O)Cc1cc(O)cc(OC)c1 14772291 JTFPNHYBWFZKEX-ZWKOTPCHSA-N 338.488 4.196 0 1 EIAF biogenic Cc1cc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c1 29476868 HUGYGHGIFGCECH-YQJUVHNHSA-N 340.394 4.189 0 1 EIAF C[C@H]1C[C@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCN1 49051099 CUVCFXBDBPAFQU-LSDHHAIUSA-N 342.870 4.125 0 1 EIAF O=C(O)c1sc(-c2ccccc2)cc1-c1cnnn1-c1ccccc1 58598961 JXXGKIJODFAOAL-UHFFFAOYSA-N 347.399 4.361 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CCc3ccccc3C2)CC1 102321624 PFJXVYZMCGALGZ-UWUNEBHHSA-N 344.499 4.128 0 1 EIAF C/C(=C/c1nsc(Nc2ccc(F)cc2)n1)Nc1cc(C)on1 103947231 QCULRQNVCHANLD-CLFYSBASSA-N 331.376 4.190 0 1 EIAF O[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 145163303 KYIDZQMQKAIPPZ-QHCPKHFHSA-N 346.474 4.086 0 1 EIAF Cc1cc2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 169348258 DGXRCWWIWJRLOC-RBUKOAKNSA-N 336.410 4.009 0 1 EIAF COC(=O)[C@H]1[C@H](c2cccc(-c3ccsc3)c2)C[C@H]2CC[C@H]1N2C 253703284 OECDZVROWVHNGS-HCXYKTFWSA-N 341.476 4.154 0 1 EIAF Cc1ccc(C(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 324665219 MEHMUEMMKQDIPT-UHFFFAOYSA-N 342.870 4.043 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586888939 KQWWEGNQOBXKTP-MEBBXXQBSA-N 335.329 4.122 0 1 EIAF O=C(O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894988 JSHVKUGEPWPHIG-UHFFFAOYSA-N 344.370 4.087 0 1 EIAF Cc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006316 FCJRMIVWTVHLGS-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF Fc1ccc2c(-c3nc4cc(Br)ncc4[nH]3)coc2c1 587174201 GEILCAPXMJSSQT-UHFFFAOYSA-N 332.132 4.273 0 1 EIAF CCCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587398727 HFVRRNKLBIYIDH-IBGZPJMESA-N 325.408 4.245 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c3c(c1)CC(C)(C)O3)O2 587413599 SMXDNJHOHITCLU-GOSISDBHSA-N 337.419 4.306 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccncc4)c1)[C@@H](C2)C3=O 587435652 HYOZKTNUPFWSDX-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cccc(F)c31)CC2=O 587471604 LLQNATDYGFZSSY-HXUWFJFHSA-N 342.366 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)CCCCC(=O)O)CC2=O 587490807 RSFNMFPXMRCOJX-XCLFUZPHSA-N 348.439 4.350 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3nc1C)CC2=O 587492808 XOTIYWUEYNCNSR-IBGZPJMESA-N 348.402 4.303 0 1 EIAF COc1nccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509619 VLTQFIMUJFJDLC-INIZCTEOSA-N 343.810 4.329 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]ccc1Cl 587546178 IXHUQTRGFXUKKG-KBXCAEBGSA-N 341.750 4.077 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)Br 587627901 FDFDDCFFRXZVAZ-UHFFFAOYSA-N 340.526 4.439 0 1 EIAF CCC(=O)C[C@@]1(c2cccnc2)NCCc2c(Cl)cc(Cl)cc21 963120559 KDFNBIJLOSWNMP-SFHVURJKSA-N 349.261 4.147 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@H](CO)[C@H]2CCc1ccoc1 2356729883 PTORJJANMCYDLB-ARXXEPJESA-N 348.483 4.216 0 1 EIAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NC(C)C)cc1 774289 KANUROZITWZLHJ-UHFFFAOYSA-N 336.391 4.155 0 1 EIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N(C)C 4294943 YIKNYTSAYCYFLJ-RBUKOAKNSA-N 346.471 4.187 0 1 EIAF Cc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F 24974654 SIDDLTBLAQYZIZ-UHFFFAOYSA-N 326.415 4.458 0 1 EIAF in-vivo CO/C=C(C(=O)OC)\C(C)=C(/C=C/c1cccc2ccccc12)OC 26644890 XKANNTSEMCXELR-RCGXDMPNSA-N 338.403 4.477 0 1 EIAF CN(C)/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)c2ccccc21 27517558 ATBBJFHLPIXWEF-PTNGSMBKSA-N 332.325 4.286 0 1 EIAF C=CC(=O)Nc1ccc(-c2nccc3cc(OC)c(OC)cc23)cc1 29482760 LPPZSTSNMZJAER-UHFFFAOYSA-N 334.375 4.044 0 1 EIAF CN1CCC[C@H]1CCOC(=O)C(C)(c1ccccc1)c1ccccc1 42923038 QJNQIEXTHCSKSI-FQEVSTJZSA-N 337.463 4.020 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@H](C)[C@]21C 85487462 QSXNOUPYXMWUKT-RUZYNEDPSA-N 332.440 4.108 0 1 EIAF biogenic,in-vitro Clc1ccccc1[C@@H]1OCCc2c1noc2CO[C@@H]1CCCCO1 103179958 PGOTUIRGMIUINB-AEFFLSMTSA-N 349.814 4.033 0 1 EIAF CCCCCN1C(=O)[C@]2(COc3cc(F)c(F)cc32)c2ccccc21 103190999 JJFQLYUVJGTGIW-HXUWFJFHSA-N 343.373 4.180 0 1 EIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1)C1CCCC1 116231853 BKUWVWJDONBNID-UHFFFAOYSA-N 347.418 4.374 0 1 EIAF COc1cc(C(=O)Nc2ccc([C@H]3CCCNC3)cc2)ccc1Cl 117714810 BHRQCRFMVOTRQJ-HNNXBMFYSA-N 344.842 4.068 0 1 EIAF COc1cc(-c2cccc(-c3ccc(O)cc3)n2)cc(OC)c1OC 169312266 LFVYCSZHJLHSID-UHFFFAOYSA-N 337.375 4.147 0 1 EIAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O 169720218 PQTMSGVZUGBSRD-CWTRNNRKSA-N 328.408 4.273 0 1 EIAF COc1ccc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1O 238733878 AQZFKHDQPNFGQT-ILUDWHBUSA-N 330.424 4.172 0 1 EIAF C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C[C@H]1CN1 253688874 KRFWHRJXDKUGAA-OREHGWOGSA-N 329.528 4.288 0 1 EIAF Brc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 586883372 BOSMPWCKCONRQR-SJCJKPOMSA-N 340.224 4.092 0 1 EIAF CN(C)CCOc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586908713 UHLBXRMBZAYHDW-UHFFFAOYSA-N 349.434 4.035 0 1 EIAF Nc1ccc(F)c(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587140443 AVAFWSIPAVVNPQ-UHFFFAOYSA-N 347.393 4.454 0 1 EIAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccccc4F)c3)nc12 587153458 RSOSUWFZYOQSBG-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF O=C(O)CCCOc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587212689 UJSVHZQQUOYTJY-UHFFFAOYSA-N 333.387 4.244 0 1 EIAF COC(=O)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn1 587245237 QTIPMSKSNPXJQW-UHFFFAOYSA-N 337.166 4.110 0 1 EIAF O=C(c1coc2ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 587281060 RUQASYCNHAMKDV-LBPRGKRZSA-N 339.778 4.322 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncc3ccccc13)O2 587380460 VBSMZHBSUWWSCF-INIZCTEOSA-N 338.794 4.485 0 1 EIAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587399811 MLNUJCRQFKSXIL-SFHVURJKSA-N 341.407 4.081 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccsc1N)(C(C)(C)C)[C@@H](C2)C3=O 587451688 LLRKCRDKDDRXKT-ORAYPTAESA-N 343.448 4.028 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc(N)c1)CC2=O 587472502 ISFAFXMCFWZBOF-HXUWFJFHSA-N 325.408 4.198 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(OCC)c1)CC2=O 587477690 FVFFFJKMUZGBQO-GOSISDBHSA-N 342.391 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cnccc13)CC2=O 587486964 UZEMLOMHMUTVQR-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(F)CC2)N1 587736659 BETHKYYVKKEVFC-IWPPJYEWSA-N 330.216 4.230 0 1 EIAF Fc1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1-n1cccn1 587780645 FMMSBFCWVMRCAZ-XBXARRHUSA-N 348.381 4.118 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2[nH]ccc12 587872076 IQRVQJQHTFTOHM-UHFFFAOYSA-N 349.365 4.258 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@@H](C)c1ccccc1 963037959 RGTNORYSQVEWQU-NYHFZMIOSA-N 332.447 4.408 0 1 EIAF O=C1c2cccc3[nH]cc(c23)C[C@@]12CCCCN2CCc1ccccc1 1772620859 IECOURVQXUYURE-QHCPKHFHSA-N 344.458 4.374 0 1 EIAF Fc1ccnc(Nc2cc3nc(-c4ccc(F)c(F)c4)[nH]c3cn2)c1 1857642272 ZNFGERFUURBQSG-UHFFFAOYSA-N 341.296 4.181 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O 2356711966 HYBPXYQCXNOTFK-FCGDIQPGSA-N 340.504 4.296 0 1 EIAF CC(C)(C)[C@H]1CCc2c(sc3nc(C(F)(F)F)[nH]c(=O)c23)C1 307789 SOADFSVRFHBQJW-ZETCQYMHSA-N 330.375 4.154 0 1 EIAF CCCCCc1cc2c(N)ncnc2nc1-c1ccc(N(C)C)cc1 1546377 ILHQNMFCHYGZCS-UHFFFAOYSA-N 335.455 4.073 0 1 EIAF Cc1cc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)no1 5048073 QXTFYOHAHXDVTF-UHFFFAOYSA-N 326.377 4.165 0 1 EIAF CCOC(=O)c1c(Sc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O 5886570 HDCVUVBODUPMJA-UHFFFAOYSA-N 345.464 4.190 0 1 EIAF CC(C)(C)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 13864400 SNFLPWUCINBUSV-UHFFFAOYSA-N 326.421 4.485 0 1 EIAF O=c1cc(O)cc(-c2c(-c3ccccc3)cc(O)c3c(O)cccc23)o1 14884355 ZZTFZGJHNCTGFE-UHFFFAOYSA-N 346.338 4.244 0 1 EIAF biogenic N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3cc(-c4ccccc4)ccc3[C@@H]21 27430131 WKSJVLIYBIBFFK-IRFCIJBXSA-N 348.446 4.031 0 1 EIAF CCOC(=O)/C(=C/CC(=O)c1ccccc1)Sc1ccccc1 34285109 GZVCAXYHFMVKDO-JXAWBTAJSA-N 326.417 4.499 0 1 EIAF O=C1O[C@@H](COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1 49113367 BIZBKGBTDMATHV-OAHLLOKOSA-N 337.297 4.110 0 1 EIAF O=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 73224067 ATAGRZOAWANQLR-UHFFFAOYSA-N 346.597 4.312 0 1 EIAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNC(=O)Nc1ccc(F)c(F)c1F 101434525 ONBSSNHALHDLOT-MXWKQRLJSA-N 326.362 4.298 0 1 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@@H]1[C@@H](F)C[C@H]1F 253664642 DYKGTVVHHZGYQR-ZFWZSOMGSA-N 338.206 4.016 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1 586878461 DTMFYSLBOWAZEB-AATRIKPKSA-N 334.162 4.133 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(ccc5ncccc54)[nH]3)oc12 586904535 WILGCDZFLKVROE-UHFFFAOYSA-N 343.342 4.345 0 1 EIAF CCc1cc(OCc2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl 587052679 HWVHPNIXLIIUQO-UHFFFAOYSA-N 330.771 4.086 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1 587080348 PBBYXCWVDKREHS-ZCFIWIBFSA-N 328.725 4.468 0 1 EIAF COc1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587093725 RQPVWGXFTPZMKM-UHFFFAOYSA-N 339.342 4.288 0 1 EIAF Fc1ccc(-n2ncc3c2CCc2c-3nc3cccc4c3c2CC4)cc1 587213440 RZTAZLMSJVHHFX-UHFFFAOYSA-N 341.389 4.424 0 1 EIAF O=C(Cc1ccc2c(c1)OCCO2)c1coc2ccc(Cl)cc12 587276781 VUOFFKNPOUNERA-UHFFFAOYSA-N 328.751 4.283 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCF)cc1)O2 587382890 PFUNSLBVQIZWDO-SFHVURJKSA-N 329.371 4.022 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C3CCC(=O)CC3)CC1)O2 587408533 ONWBKRUFVYIWPE-UHFFFAOYSA-N 341.451 4.231 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CS[C@@H](c4cccs4)C1)[C@@H](C2)C3=O 587450973 MLOIGWFDCKAPEG-PNPHSEOMSA-N 344.457 4.121 0 1 EIAF O=C1C[C@@H](c2cn3c(F)cccc3n2)Oc2c1ccc1c2CCCC1 587504130 FXAVHZJYSWIGGQ-KRWDZBQOSA-N 336.366 4.059 0 1 EIAF Cc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613918 QCXQRXJEJJNRMU-MAUKXSAKSA-N 338.384 4.465 0 1 EIAF Cc1cnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 587781871 DUNOQUOHULDNRG-UHFFFAOYSA-N 331.375 4.218 0 1 EIAF COc1cccc(C2(c3nc4cc(Cl)ncc4[nH]3)CCCC2)c1 587931406 OSHAONAFZJOVBA-UHFFFAOYSA-N 327.815 4.480 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587963999 XNDAYJGOFCOUSW-JGVFFNPUSA-N 330.737 4.393 0 1 EIAF c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccccc2)cc1 653691106 UBDCPYXLKYYRPE-UHFFFAOYSA-N 345.446 4.189 0 1 EIAF Cc1ccccc1[C@@]1(CC(C)C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034926 VXAOJFBNOHNZTE-GAJHUEQPSA-N 348.490 4.338 0 1 EIAF COc1ccc(NC(=O)c2ccccc2-n2cc3ccccc3n2)cc1 1772632715 CDCVOYNFVCFJJC-UHFFFAOYSA-N 343.386 4.286 0 1 EIAF CCCCCNC(=O)Nc1ccc(-c2ccnc3[nH]nc(C)c23)cc1 1772639774 WNODSYGAOAIJFH-UHFFFAOYSA-N 337.427 4.245 0 1 EIAF CC(C)CC[C@@]1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21 1857607522 DSDAARMEEWQPDQ-IBGZPJMESA-N 328.387 4.145 0 1 EIAF COc1cccc(CC[C@@H](CC(=O)CCc2ccccc2)OC)c1 2356678079 RICKWTXUXIICNN-NRFANRHFSA-N 326.436 4.235 0 1 EIAF COc1ccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)cc1OC 61896611 WMJUYPRAQIELDP-QGZVFWFLSA-N 345.395 4.048 0 3 EIAF N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61906060 VDIZXFMRFIEYRG-OAHLLOKOSA-N 338.329 4.415 0 3 EIAF Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4ccccc4Cl)nc32)c1C 13475199 QXGHZKBJIQIETI-UHFFFAOYSA-N 338.798 4.418 0 1 EIAF c1ccc(CN2CCC(CCN3CCc4ccccc4C3)CC2)cc1 13730960 LCMITKKRKVHZDJ-UHFFFAOYSA-N 334.507 4.347 0 1 EIAF CC(C)CCCn1c(Cn2nnc3ccccc32)nc2ccccc21 26256904 DBCZOOWKNJCIAI-UHFFFAOYSA-N 333.439 4.266 0 1 EIAF CC/C=C/C[C@H]1C(=O)CC[C@@H]1CC(=O)OCC(F)(F)C(F)(F)F 28371435 XSANZUMGYVBQLE-YIZUVKHSSA-N 342.304 4.069 0 1 EIAF O=C(CCN1CCCCC1)Nc1ccccc1-c1nc2ccccc2[nH]1 31848088 DPOWGYBEUSXFMJ-UHFFFAOYSA-N 348.450 4.044 0 1 EIAF CCCCN1CCC(Oc2nc3ccsc3n3cccc23)CC1 40395543 KTZDGSIWOKSHHN-UHFFFAOYSA-N 329.469 4.192 0 1 EIAF CNCc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1 42922212 SIBDAZDNSVDATL-MRXNPFEDSA-N 332.447 4.359 0 1 EIAF CC(C)(O)[C@H]1Cc2cc3cc(-c4cc(F)cc(F)c4)oc3cc2O1 72176436 DXKWHLOIIWRXJR-GOSISDBHSA-N 330.330 4.452 0 1 EIAF Cc1c(COC(=O)NCc2ccncc2)cccc1-c1ccccc1 96170077 YUVVGZPJWJNXEM-UHFFFAOYSA-N 332.403 4.483 0 1 EIAF CCOC(=O)[C@@H]1C(=O)C[C@@H](C(C)(C)C)N(C(C)(C)C)[C@@H]1C(C)(C)C 103221723 KPYFKVPHCLOTGI-XHSDSOJGSA-N 339.520 4.068 0 1 EIAF C=C[C@](C)(O)CC/C=C(\CO)CC/C=C(/CCC=C(C)C)C(=O)O 150247621 ACCLBNYEFRAUCK-BIDMWUBCSA-N 336.472 4.160 0 1 EIAF biogenic CC[C@@H](C)Cc1ccnc2c(N[C@@H](C)CCCN)cc(OC)cc12 169329209 DYMOIGOWICYZTC-CABCVRRESA-N 329.488 4.371 0 1 EIAF CN(C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C 209092089 ZJQOICZVPGQOIC-UHFFFAOYSA-N 326.827 4.005 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 221500022 YQNLDLVKFNZFTI-POLCOUMTSA-N 332.440 4.105 0 1 EIAF biogenic Cc1cc(NCc2ccncc2)n2nc(C)c(-c3ccccc3)c2n1 473154927 MVWIIRCJYAMPMW-UHFFFAOYSA-N 329.407 4.020 0 1 EIAF OCC12CCC(c3nc4cccc(OC(F)(F)F)c4[nH]3)(CC1)CC2 586895384 GGZHCNRJYBEBPT-UHFFFAOYSA-N 340.345 4.046 0 1 EIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(F)c2[nH]1 587042749 LSOTUNHZLAKYKY-ZDUSSCGKSA-N 347.802 4.011 0 1 EIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(F)c2[nH]1 587080541 QGNWCGSHKLENSE-GFCCVEGCSA-N 346.768 4.218 0 1 EIAF Clc1ccc(-c2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)nn1 587085458 UGZGSASTDUBGOJ-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF CCc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 587125318 RPUWENICTJSVSM-XPTSAGLGSA-N 349.360 4.296 0 1 EIAF Cc1cc(Br)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 587177172 AURMGOCZAMNLOV-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)ccc4ncccc14)[C@@H](C2)C3=O 587436857 UXHFXJFLSFVBCL-BTYIYWSLSA-N 331.371 4.041 0 1 EIAF C[C@@]1(c2ccc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531916 NPJYCWQELDVOSG-IBGZPJMESA-N 342.416 4.206 0 1 EIAF C[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616905 HFACJRIXFSKYNZ-VQIMIIECSA-N 338.384 4.331 0 1 EIAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2ccc([C@@H](C)CC)cc12 587641548 HDSLHKVTDDYJPT-LBPRGKRZSA-N 325.412 4.259 0 1 EIAF CCN(C)C(=O)Oc1cc([C@H](C)N(CC)CC)cc2cccnc12 1857578483 RPWAQWOTIMAIOH-AWEZNQCLSA-N 329.444 4.088 0 1 EIAF COC(=O)C1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1 2356722699 NVMUULOVKGJDTI-LXGFNABISA-N 346.467 4.135 0 1 EIAF COc1ccc2oc(=N)c(C(=O)Nc3cccc4ccccc34)cc2c1 6484918 RHCLYGWZCLVRJD-UHFFFAOYSA-N 344.370 4.326 0 1 EIAF c1ccc2c(c1)[C@@H]1CC(c3cc[nH]c3)(c3cc[nH]c3)[C@H]2c2cccc[n+]21 26646846 FTHMSNDPXJXXQI-FCHUYYIVSA-N 338.434 4.055 0 1 EIAF CCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28005938 GIFGQVCVZIIPRG-CTNGQTDRSA-N 342.433 4.179 0 1 EIAF CCCC[C@]12CC[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821514 ADJOEVXWMGPLRU-MSOLQXFVSA-N 335.831 4.063 0 1 EIAF O=C(O)CC1=C/C(=C\c2ccc3nccnc3c2)c2ccc(F)cc21 40380579 KKLVWUGQXKYUGT-NTUHNPAUSA-N 332.334 4.181 0 1 EIAF COc1ccc(-c2ccc(S(=O)(=O)Nc3cccs3)cc2)cc1 42920881 MLMHMIQLMFUEPG-UHFFFAOYSA-N 345.445 4.225 0 1 EIAF OCCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 45300167 UDRYKCHJHRTSJP-OAQYLSRUSA-N 337.463 4.022 0 1 EIAF COc1c(CN(C(C)=O)c2ccccc2)ccc2c1OC(C)(C)C=C2 72184200 KMCYOWMEIDDSSV-UHFFFAOYSA-N 337.419 4.433 0 1 EIAF CCCCc1ccc(-c2cc(N[C@H](C)CC(=O)OCC)ncn2)cc1 82160232 FSSACYLVBNTKOJ-OAHLLOKOSA-N 341.455 4.240 0 1 EIAF Oc1ccc2ncn(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2n1 118266086 ZPMOPIXNTBVBNL-UHFFFAOYSA-N 347.218 4.164 0 1 EIAF Clc1cccc(-n2cc(CSc3nc4ccccc4o3)nn2)c1 169340311 LVWVBJQPFAYETM-UHFFFAOYSA-N 342.811 4.354 0 1 EIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(Cl)c2[nH]1 587040117 KBLACHSKDZHRIQ-NSHDSACASA-N 339.848 4.199 0 1 EIAF Cc1ccc2c3c(cc([C@@H]4CCCNC4)nc13)-c1ccccc1C2=O 587095832 BEKWJQPCJBQOTE-CQSZACIVSA-N 328.415 4.222 0 1 EIAF Cc1c(F)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204199 JDHNQJDNQBHUGQ-CQSZACIVSA-N 349.450 4.492 0 1 EIAF CC1(C)O[C@H]2c3nc4cccc5c4c(c3C[C@H]2O1)-c1ccccc1C5=O 587209332 NWHOODHFANVYAW-IIBYNOLFSA-N 343.382 4.195 0 1 EIAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CC 587399855 MQEDROLJHUFFLG-LJQANCHMSA-N 325.408 4.245 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4cccc(F)c4CC[C@@H]1C)[C@@H](C2)C3=O 587429623 VVXQCSLTKLPAJP-VQDICGIKSA-N 338.378 4.060 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)cn1)[C@@H](C2)C3=O 587435466 HCKLNNONAVTUGN-JTSKRJEESA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)ccc1O)CC2=O 587482466 TYDJINJNYPMBHJ-LJQANCHMSA-N 342.391 4.156 0 1 EIAF Cn1ncc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c21 587517487 OBYMGOALAXNFRO-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF COC(=O)C[C@@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524320 MGQYDQPKAFGFCV-OAQYLSRUSA-N 342.435 4.023 0 1 EIAF O=C1C[C@H](c2sc(O)nc2Cl)Oc2c1ccc1c2CCCC1 587535094 IGANIDXSTMKQAQ-GFCCVEGCSA-N 335.812 4.087 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OC)cc2[nH]1 587927377 PTTLRBPPDAWQAG-CQSZACIVSA-N 326.396 4.131 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 587952281 OAQUREHREDMXOJ-NFOMZHRRSA-N 339.439 4.189 0 1 EIAF CC(C)CC[C@]1(c2ccccc2)NCCc2c1c(C(C)C)nn2C 962922460 XEOMNWPXFZJSTA-OAQYLSRUSA-N 325.500 4.369 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 962961481 XGGVCFVXPYFWPA-XKRTTZHXSA-N 336.479 4.457 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cnn(Cc2ccccc2)c1 963107752 SOIDFVLHFNQYJR-RBBKRZOGSA-N 347.437 4.180 0 1 EIAF CCCn1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c(C2CC2)n1 963112371 SIZLYIFSAJDBLF-UTKZUKDTSA-N 339.458 4.420 0 1 EIAF CCCc1nn(C)c2c(NC(C)C)nc(/C=C/c3ccccc3)nc12 1857547855 AKISCYHRJRBFFV-OUKQBFOZSA-N 335.455 4.307 0 1 EIAF CCCC=CCC[C@@H](O)CC[C@@H](O)CCCCCCCC(=O)O 2356514928 RQJUILPBCUMSNT-MSOLQXFVSA-N 328.493 4.440 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CCc3ccoc3)[C@@H](CO)CC[C@@H]12 2356729885 PTORJJANMCYDLB-ORPNCOOFSA-N 348.483 4.216 0 1 EIAF OC[C@@H]1[C@@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccccc1 13814016 PERINXWIFSPQGV-NHCUHLMSSA-N 346.405 4.195 0 3 EIAF aggregator CCOc1ccc2c(c1)c(CCNC(=O)CC)c1n2Cc2ccccc2-1 13494148 WEZWICCILFMSRN-UHFFFAOYSA-N 348.446 4.137 0 1 EIAF CC(C)=CCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1O)CC2=O 14819241 JJOUBYOHNYJCOU-LJQANCHMSA-N 340.375 4.019 0 1 EIAF biogenic,in-vitro Clc1cc(Br)ccc1OCCCCn1ccnc1 16193031 OYAZIWSNCYDCSJ-UHFFFAOYSA-N 329.625 4.158 0 1 EIAF Cc1nonc1CN(C)Cc1nc(-c2cccc3ccccc23)oc1C 20385392 UAQGXBZMNZZMDT-UHFFFAOYSA-N 348.406 4.127 0 1 EIAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3c(C)noc3C)ccc21 28563300 CBEWCJJVGVJDMZ-QFBILLFUSA-N 343.423 4.054 0 1 EIAF COc1ccc(Oc2cc(NCc3ccccc3F)ncn2)cc1 82067715 BEFJTKXPHCKDHO-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF Cc1cc(NC(=S)NC(=O)c2ccccc2F)c(C(C)C)cc1O 84690946 XZOREHHFRMGDLM-UHFFFAOYSA-N 346.427 4.090 0 1 EIAF Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccccc2)nn1 95555216 HRBPRXCFSGMZKV-GOSISDBHSA-N 332.432 4.348 0 1 EIAF O=C(O)C[C@@H](CC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1 95573385 UJJPWLPMMGMPGZ-GOSISDBHSA-N 334.371 4.377 0 1 EIAF CCC[C@H](C)Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 95579670 MRXMCFCNYKAXNF-LBPRGKRZSA-N 340.427 4.368 0 1 EIAF O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929564 VGXAKPBLUMROSA-PWRODBHTSA-N 334.463 4.061 0 1 EIAF CCc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335963 GXRPIGJWZJONKF-FQEVSTJZSA-N 334.467 4.202 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@H]3[C@@H]12 169335107 STSPSSDQNNGSJA-MCBGHCMPSA-N 340.555 4.005 0 1 EIAF CN1CC[C@@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3[C@H]1C2 195197982 JNYHIUUHNNPPEZ-FGZHOGPDSA-N 330.431 4.201 0 1 EIAF Nc1cccc(Nc2ncc(C(=O)c3ccccc3Cl)s2)c1 473132750 VXYRVNRBVKHYQL-UHFFFAOYSA-N 329.812 4.353 0 1 EIAF O=C(O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073428 FSBMZGRPSWGJON-UHFFFAOYSA-N 326.783 4.385 0 1 EIAF Oc1nc2cc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3cc2[nH]1 587132008 ZTHNEMBMHHZZFH-UHFFFAOYSA-N 340.333 4.026 0 1 EIAF Fc1ccc(S)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587141810 XEVVDBHKEFEWTK-UHFFFAOYSA-N 348.712 4.072 0 1 EIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587151960 XGGPRFPCHCLCKP-SSDOTTSWSA-N 343.255 4.395 0 1 EIAF COc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Cl 587175754 GWQDXNIKIREKBO-UHFFFAOYSA-N 326.158 4.003 0 1 EIAF CC(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587198369 ZPNBAHUYDNEWQE-MRXNPFEDSA-N 345.443 4.330 0 1 EIAF COc1cncc(N)c1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 587254609 RNAOLUNECVIZBU-UHFFFAOYSA-N 332.363 4.008 0 1 EIAF COc1ccc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587380718 BYXKXAJPGRJWEJ-CQSZACIVSA-N 335.762 4.085 0 1 EIAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CC(F)F 587507285 PRQAPTKXGZAGGY-KRWDZBQOSA-N 346.377 4.042 0 1 EIAF CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCCCC1 587512368 CVTCKHRVGITCRF-IBGZPJMESA-N 327.468 4.164 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1cc(Cl)ccc1Cl 587651108 KWWWORVTOOUTDJ-UHFFFAOYSA-N 325.582 4.346 0 1 EIAF Cc1cc(C)nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587771976 MRILXMXOJJVMIR-GTNSWQLSSA-N 349.247 4.224 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(F)cc4[nH]1)(C3)C2 587951748 ZSTRRSKRCFEMQZ-LWYUSKRHSA-N 342.414 4.164 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc2[nH]ncc12 962396323 FYCCHMUCCAIEMD-FQEVSTJZSA-N 348.475 4.111 0 1 EIAF c1ccc(-c2cccc([C@H]3NCCc4nc5ccccn5c43)c2)cc1 962992667 YLYWXORLMIRDLY-OAQYLSRUSA-N 325.415 4.236 0 1 EIAF O=C(Nc1ccccc1-n1cc(-c2ccccc2)nn1)c1ccccc1 1857646051 PWPQYHFUVPQSBU-UHFFFAOYSA-N 340.386 4.187 0 1 EIAF COc1cc(NC(=O)c2ccc(C(C)(C)C)o2)ccc1-c1cnco1 13818685 FLYNQGQOZGMNLB-UHFFFAOYSA-N 340.379 4.493 0 1 EIAF CCCC[C@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C 13834831 VGUKOKATWNDEOI-ALGQRKQJSA-N 343.511 4.307 0 1 EIAF CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 40393120 MWAUZLNCUAEKNR-JMGFVUJMSA-N 340.897 4.313 0 1 EIAF O[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)CN2CCCC[C@@H]2CO1 40423129 WPRGWNSLSGTMRS-WOJBJXKFSA-N 343.854 4.037 0 1 EIAF Cc1cc(C)c2c(c1)[C@@H]1CN(C(=O)OCc3ccccc3)CC[C@@H]1N2 40556780 ACYSVTNQMMWQDY-OALUTQOASA-N 336.435 4.224 0 1 EIAF CCC(=O)NCC[C@@H]1C[C@@H](c2ccccc2)Cc2ccc(OC)cc21 45506208 IWNXDLGQZHITSH-MOPGFXCFSA-N 337.463 4.425 0 1 EIAF CSc1ccc([C@@H](O)c2nnc(N(C)c3ccccc3)s2)cc1 82078753 HDPWQUIAKDSOHR-OAHLLOKOSA-N 343.477 4.110 0 1 EIAF Nc1ccccc1CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82089369 MBQLUMSZNZKMGS-UHFFFAOYSA-N 343.386 4.007 0 1 EIAF CC(=O)OCC[C@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)CCC[C@@]21C 85975535 DLHLVWPKWDVFSP-CMKODMSKSA-N 336.472 4.282 0 1 EIAF CC1=Nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2C1 96169413 ZFSHXUZBYUIUDZ-CTNGQTDRSA-N 330.431 4.280 0 1 EIAF CCCC[C@@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 103252397 VGUKOKATWNDEOI-NXNFSMPISA-N 343.511 4.307 0 1 EIAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)c1 145434625 XUXVOLMDSBESRR-UHFFFAOYSA-N 334.379 4.254 0 1 EIAF CC(C)CNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1 167566981 IFFLDTAYMUUBER-UHFFFAOYSA-N 333.391 4.362 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169323340 ZAZGULUMJMBMJD-ZDPVWBBSSA-N 331.500 4.009 0 1 EIAF O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1O 299839083 PRZLTYXLXXYWSD-OAHLLOKOSA-N 340.231 4.478 0 1 EIAF Cc1cc(N[C@H]2CCCc3ccccc32)c2cccc(C(N)=O)c2n1 473088734 JVFPZDMOMLOLQO-SFHVURJKSA-N 331.419 4.132 0 1 EIAF FC(F)(F)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587036734 LBJXFJMTMGGSKD-CYBMUJFWSA-N 338.354 4.500 0 1 EIAF Cc1c([C@@H](C)CN(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104160 NXULVYWVLPHXEZ-ZDUSSCGKSA-N 330.431 4.420 0 1 EIAF CCOc1ccc(OCC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399124 IDOOXODAHCGFRD-IBGZPJMESA-N 341.407 4.081 0 1 EIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522955 JLJQWYJHCICLAR-RXVVDRJESA-N 344.451 4.125 0 1 EIAF C[C@@H]1CC(C)(C)CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523958 JLDFCFYYWNBXTB-LRTDBIEQSA-N 326.436 4.295 0 1 EIAF Cc1c(F)ccc2c1[C@]1(C[C@@H](c3ccccc3)OC1(C)C)NCC2 962093333 PQXKOTZJKMJVPV-RXVVDRJESA-N 325.427 4.415 0 1 EIAF O=NC[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962705158 KGCSRCQOTQEIHN-LJQANCHMSA-N 338.432 4.409 0 1 EIAF S=C(NCc1ccccc1)Nc1ncccc1OCc1ccccc1 1195586566 AXPOCSUDVHLUPK-UHFFFAOYSA-N 349.459 4.147 0 1 EIAF COc1cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)C(C)=C2C)ccc1O 2356484587 ACZGXHWMDDHKRQ-BGYRXZFFSA-N 342.391 4.264 0 1 EIAF CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773864 FOJNVOMFLOJKFF-UHFFFAOYSA-N 328.343 4.127 0 1 EIAF CCCCCOC(=O)CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 13644459 HPAZFYSQDMOFAK-UHFFFAOYSA-N 349.515 4.365 0 1 EIAF COc1ccc(-c2sc3ccccc3c2CN)c(OC)c1OC 45347387 QKXHOKMHAQVBQD-UHFFFAOYSA-N 329.421 4.053 0 1 EIAF COc1ccc(C(=O)c2cc3cccc(OC)c3oc2=S)cc1 49807978 XWZIZCMDNDUDSV-UHFFFAOYSA-N 326.373 4.410 0 1 EIAF O=C(c1ccc2[nH]ccc2c1)[C@@]1(Cc2ccccc2)CCCCNC1 64373182 GZMVATBMIADACI-JOCHJYFZSA-N 332.447 4.353 0 1 EIAF O=C(OCCC1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 82086387 IJEKOXWIYUXGHX-UHFFFAOYSA-N 343.379 4.198 0 1 EIAF C[C@H](O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1 95572315 QFIBLESNRBUFEZ-LBPRGKRZSA-N 332.831 4.450 0 1 EIAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 95578829 VVRUXFPJOVUDCV-UHFFFAOYSA-N 332.403 4.151 0 1 EIAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C(=O)O)cc1OC2(C)C 103230247 CFBWMYNYLABPKP-ZIAGYGMSSA-N 330.424 4.365 0 1 EIAF COc1cccc(F)c1-c1cccc2nc(NC3CCOCC3)oc12 169326142 KVPIMMONOVKADW-UHFFFAOYSA-N 342.370 4.233 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 257525712 QSXNOUPYXMWUKT-HIBSCLQGSA-N 332.440 4.108 0 1 EIAF endogenous,in-man Fc1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1-n1cccn1 586886668 GLSXTFZXTFKFJU-VFNWGFHPSA-N 344.393 4.259 0 1 EIAF O=[S@@](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)CC1CC1 586959592 NZZCWVBZKKBUEQ-HSZRJFAPSA-N 326.421 4.014 0 1 EIAF CCC(=O)Cc1c(CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991570 PAQHXOMGVHYMOO-UHFFFAOYSA-N 345.398 4.236 0 1 EIAF O[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Cl 587057539 BGHUUEZUDOMCTJ-CYBMUJFWSA-N 326.705 4.317 0 1 EIAF COc1cnc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1Cl 587065256 WTOBJOOECFXRRI-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF FC(F)(F)C(F)(F)c1cc2nc(-c3ncccc3Cl)[nH]c2cn1 587065639 UULLYECRVGVWHR-UHFFFAOYSA-N 348.662 4.327 0 1 EIAF CCOc1c(C)cc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398626 FSLLMIMYTLDQIF-SFHVURJKSA-N 325.408 4.299 0 1 EIAF COc1cc2c3c(c1)OC1(CC(C)(c4ccc(F)cc4)C1)[C@@H](C2)C3=O 587429999 YLLGTIPJOZTSST-ATIQYGATSA-N 338.378 4.072 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O)c1F)CC2=O 587465397 DBWNNOMSQSJAMT-IBGZPJMESA-N 330.355 4.070 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccccc3n1)CC2=O 587486427 BSBPSBXLIFLRDK-OAQYLSRUSA-N 348.402 4.169 0 1 EIAF O=C1C[C@@]2(CCNc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587509607 SVHAPEDWMQSEOF-OAQYLSRUSA-N 337.394 4.381 0 1 EIAF COc1cc(C)ccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 587563961 DCVKDKCNBLCGCB-UHFFFAOYSA-N 325.412 4.151 0 1 EIAF Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611747 TXTKTGSAAKCWMV-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c(C)cc(Cl)cc12 587625067 ZQIJDFWRKDDTLX-UHFFFAOYSA-N 345.757 4.292 0 1 EIAF O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638248 URSKDJDPGGJIEK-UHFFFAOYSA-N 348.280 4.137 0 1 EIAF CC[C@]1(Cc2nc3cc4c(cc3[nH]2)OCO4)CC(=O)c2ccccc2C1 587960455 LSOUSKHAXQANPO-OAQYLSRUSA-N 348.402 4.060 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3cc(F)c(F)cc3[nH]2)CC1 587969915 BOCKYHGHPIRFCP-UHFFFAOYSA-N 326.346 4.270 0 1 EIAF Cc1ccccc1N1CCC2(CC1)NCCc1c2sc(C)c1C 963016812 CKAKAOPTVHPMMJ-UHFFFAOYSA-N 326.509 4.315 0 1 EIAF CCCCCn1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)n1 963094606 CJGDQBPPSXACMP-JXFKEZNVSA-N 327.447 4.322 0 1 EIAF C[C@@H]1CCCCN1C(=O)NCCc1nc(-c2cccc(F)c2)cs1 1772611888 AHOTZVJYFPTYPM-CYBMUJFWSA-N 347.459 4.076 0 1 EIAF C[C@H]1C(=O)N(C)c2ccc(N[C@@H]3CCc4ccccc43)cc2N1C1CC1 1857630992 FYPQDBIFKNYTOD-IFXJQAMLSA-N 347.462 4.120 0 1 EIAF C[C@H]1C(=O)N(C)c2ccc(N[C@H](C)c3ccccc3)cc2N1C1CC1 1857635543 YJXOISPYJORRTP-CABCVRRESA-N 335.451 4.193 0 1 EIAF CC(C)(O)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857753615 AFHWPOPCCJXQPC-MRXNPFEDSA-N 344.867 4.070 0 1 EIAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@H]2OCC(C)=C2C[C@H]1O 2356378415 JLJVVACYDKDARP-WOJBJXKFSA-N 346.467 4.019 0 1 EIAF COc1cc(C=Cc2cc(O)cc(O)c2CC=C(C)C)ccc1O 2356712313 YQQRUVFYYSYCFD-UHFFFAOYSA-N 326.392 4.491 0 1 EIAF COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(C(C)(C)C)cc2)n1 61907031 ADFPSMJIYMUQNX-LJQANCHMSA-N 336.435 4.465 0 3 EIAF COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)C(C)C)C2 12329550 BELBVXYNWBIPGG-UHFFFAOYSA-N 339.435 4.048 0 1 EIAF COc1c(O)c(C(C)=O)c(OCc2cccc(F)c2)c2ccoc12 13682278 OBCANYSEIHUOME-UHFFFAOYSA-N 330.311 4.068 0 1 EIAF COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CCC3)c2c1 13740888 IFJXEAUDJBKWRY-UHFFFAOYSA-N 348.446 4.302 0 1 EIAF CCC[C@H](C)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13795010 HZBNKSCVHXIYTF-AWEZNQCLSA-N 338.459 4.045 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2n1ccnn1 26400760 YIWNIULQOQYDHI-QEUPLWARSA-N 337.467 4.261 0 1 EIAF COC(=O)/C=C(OC)\C(C)=C(/C=C/c1ccc2ccccc2c1)OC 26716389 JQIVDLNDPKBIKC-JNWBLTMLSA-N 338.403 4.477 0 1 EIAF C/N=c1\nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)s1 27735754 QFWJLZBDCAQWPG-OBGWFSINSA-N 336.247 4.438 0 1 EIAF NC(=O)c1ccccc1[C@H]1CCCO[C@@H](c2ccc(Cl)cc2)OC1 28877684 FECNTXCXAWHSPA-IFXJQAMLSA-N 345.826 4.048 0 1 EIAF Cc1c(CC(=O)O)c2cccnc2n1[C@@H](C)c1ccc(Cl)cc1 35978643 QDVYIXTZVQGJNS-NSHDSACASA-N 328.799 4.235 0 1 EIAF Clc1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1 45190712 GWWCGUUZGOWBJV-UHFFFAOYSA-N 349.825 4.099 0 1 EIAF COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ncccc12 64274763 ANPBWIKLRHMGFH-UHFFFAOYSA-N 342.786 4.244 0 1 EIAF Fc1ccc(CNCCNc2ccnc3cc(Cl)ccc23)cc1 96928869 KIFRUKSARYDDKZ-UHFFFAOYSA-N 329.806 4.229 0 1 EIAF CCOC(=O)[C@@H]1C(=O)C[C@@H](C(C)(C)C)N(C(C)(C)C)[C@H]1C(C)(C)C 103221718 KPYFKVPHCLOTGI-ARFHVFGLSA-N 339.520 4.068 0 1 EIAF Cc1nnc2n1-c1c(F)cc(-c3cncc(F)c3C(C)C)cc1CC2 205339138 KGAFNYRYMCYLBY-UHFFFAOYSA-N 340.377 4.138 0 1 EIAF C/C=C/C(=S)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238741856 HHPQBRSGRYPIDJ-CLNKPAANSA-N 334.481 4.363 0 1 EIAF O[C@H](c1nc2ccc(Br)cc2[nH]1)c1ccccc1Cl 584617173 CSGQXCNILCFLTO-ZDUSSCGKSA-N 337.604 4.061 0 1 EIAF CC(C)C(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990825 HPIOZTXBZNQEGK-UHFFFAOYSA-N 345.398 4.310 0 1 EIAF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3ccsc3)nc1-2 587025053 FGXZNGRHBPGILV-OWOJBTEDSA-N 330.722 4.209 0 1 EIAF NC(=O)c1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587053592 GASMTOSLHOILRV-FPLPWBNLSA-N 332.190 4.139 0 1 EIAF Fc1cc(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc(F)c1F 587138836 SHTAOZBCKJSOSC-UHFFFAOYSA-N 346.139 4.467 0 1 EIAF C[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359456 YQJQDRKINOQXFQ-UYAOXDASSA-N 338.334 4.399 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O 587425958 ITMBLLUFSHNYEN-UGSOOPFHSA-N 332.758 4.151 0 1 EIAF O=C(O)c1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587529162 JWEONHUUFTUZNH-QFIPXVFZSA-N 348.398 4.071 0 1 EIAF COc1ccc2c(c1)OC=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533745 UWWVBVHMOAQYDQ-JOCHJYFZSA-N 348.398 4.341 0 1 EIAF CC[C@@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593796 MYBDWHBHZPHSJN-VZIBSNAFSA-N 340.375 4.053 0 1 EIAF COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 587633122 XZDNISNFWQJAMQ-HNNXBMFYSA-N 347.733 4.003 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774571 WOXIEOYEGVCANX-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF Cc1ccc(C)c(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874107 UPVWAVRQCJGOQL-UHFFFAOYSA-N 338.338 4.131 0 1 EIAF O=C(c1cccc2cccnc12)n1nc2cc1Oc1ccc(F)cc1-2 587874487 CPLQBLOSVLXFHO-UHFFFAOYSA-N 331.306 4.032 0 1 EIAF Cc1c(C)c(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587945576 NGSCXHCZXXCCDP-MRXNPFEDSA-N 329.371 4.470 0 1 EIAF Oc1c(Br)cc(Cl)cc1-c1nc2ccc(F)cc2[nH]1 1250941760 CKOLJAVZACVMCN-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF O=c1c2ccccc2sn1NCc1ccc(-c2ccccc2)cc1 1857600202 BYSVIEOCSRECGJ-UHFFFAOYSA-N 332.428 4.474 0 1 EIAF COC(=O)[C@H](C)CCC[C@@H]1C(C)(C)[C@H]2C=C3C[C@H](C)[C@H](O)[C@]31CC2 2356439228 JGSCGGSHKGLIOT-WJBWXZHZSA-N 334.500 4.345 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@@H](O)[C@@H]2C1 2356506277 HTJLAOAUYDTOJA-ACSCVQKFSA-N 332.440 4.108 0 1 EIAF CC(=CCCC(C)=CC(=O)O)CC=C[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356747583 GNUKGZCDYOYXSD-FXAWDEMLSA-N 336.472 4.399 0 1 EIAF CCCCCC=CCC=CC=C[C@H](O)C=C[C@H](O)CCCC(=O)O 2356836329 KZQRVAKWSSAWBB-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF COc1ccc2c3n(nc2c1)[C@@H](C)CN=C3c1ccc(Cl)cc1 206061697 DKABVFSYUJJZKN-NSHDSACASA-N 325.799 4.110 0 3 EIAF c1ccc2c(CCO[C@H]3CCCC[C@@H]3N3CCOCC3)cccc2c1 24193 JQQLXARPNNPHPC-VXKWHMMOSA-N 339.479 4.042 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)Oc2ccccc2C)N3C)cc1 13740257 SUEIJSZDTKIXCI-HIUFNZKISA-N 349.474 4.475 0 1 EIAF O=c1ccc(Nc2ccccc2Cl)nn1-c1ccccc1Cl 14961512 CTCMKHXUZYGYOL-UHFFFAOYSA-N 332.190 4.283 0 1 EIAF C=C[C@H](OC(=O)[C@@H](C)CC)c1ccc(OC(=O)C(C)C)c(OC)c1 15113385 SUONLOMSEGBVDU-ZFWWWQNUSA-N 334.412 4.073 0 1 EIAF biogenic COc1cccc2c1-c1ccc3[nH]c(=O)cc(C(F)(F)F)c3c1CO2 29043139 GHHARBDOKUKPIX-UHFFFAOYSA-N 347.292 4.115 0 1 EIAF CO[C@@H]1O[C@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 40394409 ROHYJLCJKKOGCB-XIWNSQTRSA-N 348.483 4.127 0 1 EIAF Nc1nc2ccccc2c2cn(-c3ccc(C(F)(F)F)cc3)nc12 40866960 HJYDZLQUQHTRNG-UHFFFAOYSA-N 328.297 4.175 0 1 EIAF CCc1ccc(C2=NN(Cn3ccc4ccccc43)C(=O)CC2)cc1 49803445 QNGDFAZQHRIAKK-UHFFFAOYSA-N 331.419 4.188 0 1 EIAF CCCCNC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(F)cc1 82139372 CGCRNEBVTUVPLU-CYBMUJFWSA-N 344.434 4.023 0 1 EIAF COc1cccc(-c2csc(N)c2C(=O)OCc2ccccc2)c1 96929348 QGUAKAHWIKMEFS-UHFFFAOYSA-N 339.416 4.363 0 1 EIAF C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@H]1C2(C)C 101434545 BVLMUEUIQIASQJ-PRFIWBCESA-N 326.362 4.296 0 1 EIAF CN(C)CCCN1CC[C@H]2c3ccccc3[C@H](c3ccccc3)[C@H]2C1 169318098 HKNYJKSPYOTSRL-PMVMPFDFSA-N 334.507 4.189 0 1 EIAF COC(=O)c1cccc2nc([C@H](C)SCc3ccccc3)[nH]c12 586964283 WVJZBYSPJLYXCE-LBPRGKRZSA-N 326.421 4.344 0 1 EIAF Cc1ccc(-n2ccnc2SCc2nc3cccnc3[nH]2)c(C)c1 586966752 RAMYKYIPXBVLHH-UHFFFAOYSA-N 335.436 4.053 0 1 EIAF COc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1OC 587015740 AMFQSJXJESDNBG-UHFFFAOYSA-N 341.392 4.272 0 1 EIAF COc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1OC 587033095 SJLOXDUDPUKAPR-UHFFFAOYSA-N 326.377 4.167 0 1 EIAF COC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079200 AYSYBIOETCRCFV-UHFFFAOYSA-N 339.782 4.006 0 1 EIAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C 587126104 VFWCETUFQGUZLS-QMTHXVAHSA-N 349.360 4.351 0 1 EIAF Nc1ccc(-c2ccc3nc(CCc4ccccc4F)[nH]c3c2)cc1N 587148257 AELCPEZDEZWGIW-UHFFFAOYSA-N 346.409 4.319 0 1 EIAF N=c1[nH]ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164424 QIYUFTSOIQIIAM-JLHYYAGUSA-N 336.395 4.160 0 1 EIAF Cc1ccc2c(ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c32)n1 587172176 YKMYRYVNDMBXQU-UHFFFAOYSA-N 349.365 4.016 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3cc(C)c(Cl)cc31)O2 587380408 UMRQLMHKUZHPJP-IBGZPJMESA-N 341.794 4.306 0 1 EIAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(C(F)F)[C@@H](C2)C3=O 587420741 HCCUOOOERXZKCD-MGPUTAFESA-N 344.357 4.079 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(OC)cc1F)CC2=O 587468026 WCLNOCLZZCDTGY-QGZVFWFLSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cccc(N)c31)CC2=O 587473241 RPGLLSCRFVXSML-NRFANRHFSA-N 337.419 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(OC)c1)CC2=O 587475582 AWIBKOARFVNRKR-IBGZPJMESA-N 326.392 4.368 0 1 EIAF CCOC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CCC1 587521407 CWGWNYWVQUMKAO-FQEVSTJZSA-N 342.435 4.023 0 1 EIAF Cc1cc(C)cc(OCc2nc3ccc(Br)c(O)c3[nH]2)c1 587564623 MYRFZMBCIYHRAN-UHFFFAOYSA-N 347.212 4.227 0 1 EIAF Cc1cccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587624059 XEJNXVXYBNJCOI-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587638610 SYTZBJJPWHVSFB-JTQLQIEISA-N 332.400 4.014 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(F)c(F)c1 587871190 PYIZHEHNNUVFBM-UHFFFAOYSA-N 332.325 4.414 0 1 EIAF CCCCc1ccc(-c2nc(C)c(-c3ccnc(NN)n3)s2)cc1 653813312 OHGYFQDDRYOSNR-UHFFFAOYSA-N 339.468 4.204 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c[nH]c2cccc(F)c12 963061804 YCAVYTCRYKUWJP-OAQYLSRUSA-N 347.393 4.099 0 1 EIAF O=C1c2ccc(Cl)cc2C[C@@H]1CCN1CCc2ccccc2C1 1772577937 UEMSZTJJYVOVMY-HNNXBMFYSA-N 325.839 4.143 0 1 EIAF Cc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C 1857601147 VRJGYCAOWNKMOW-UHFFFAOYSA-N 328.415 4.166 0 1 EIAF CO[C@@]1(C)C[C@@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O1 1857636339 YQFRGWIKSKDUKH-MGPUTAFESA-N 340.350 4.209 0 1 EIAF Cc1ccc(NC(=O)N2CCC(N(C)CCC(C)C)CC2)cc1F 201473080 NPPFWYKZKPFBTB-UHFFFAOYSA-N 335.467 4.108 0 3 EIAF CCOC(=O)c1sc2ncnc(Nc3c(F)cccc3F)c2c1C 756824 SWXSDMTWVFRRIK-UHFFFAOYSA-N 349.362 4.198 0 1 EIAF c1ccc2c(c1)C[C@H]2CCN1CCN(c2cccc3ccoc23)CC1 13743701 GQQCJXMIPIPVNK-LJQANCHMSA-N 332.447 4.285 0 1 EIAF COc1ccc2c(c1)O[C@H]1c3ccc4c(c3OC[C@@H]21)C=CC(C)(C)O4 14708298 LQTXWAQTXRQFQG-JXFKEZNVSA-N 336.387 4.489 0 1 EIAF biogenic COc1ccc2c(c1)c(Cc1cn(C)c3ccc(OC)cc13)cn2C 28949186 QNVPNQGSLSANGA-UHFFFAOYSA-N 334.419 4.278 0 1 EIAF CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28951579 PHXOOOCXNKXMBL-WMPMEIDDSA-N 341.451 4.221 0 1 EIAF O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F 29470331 NTQOTTKVQORARI-OUKQBFOZSA-N 343.361 4.090 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1F 82152904 MVFPSRKBYRRAIP-QWHCGFSZSA-N 344.434 4.021 0 1 EIAF COc1ccccc1CN[C@@H]1[C@H]2CCN[C@@]1(c1ccccc1)CC=C2C 103018099 HMCACXWESDLLOQ-MDNUFGMLSA-N 348.490 4.008 0 1 EIAF c1ccc(Nc2ccc(Oc3ncccc3-c3cn[nH]c3)cc2)nc1 143357743 GKHQJLQGFWMHKW-UHFFFAOYSA-N 329.363 4.403 0 1 EIAF CCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143694481 LNVVEUKUZOFIBW-GFCCVEGCSA-N 345.370 4.179 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C2 586884913 JXYZQFHABUEFSO-LPEHRKFASA-N 338.304 4.360 0 1 EIAF OCCCCCCCCCCCc1nc2cc3cn[nH]c3cc2[nH]1 586894905 YAFKAYVTJAZXCW-UHFFFAOYSA-N 328.460 4.485 0 1 EIAF C[C@H]1CCO[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C1 586916799 DRULHUKAZCNSSX-CPCISQLKSA-N 329.625 4.466 0 1 EIAF Cc1cc(Cl)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042317 RWCHRTCCNTUUPV-JKSUJKDBSA-N 343.883 4.471 0 1 EIAF Cc1ccnc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc12 587049161 PPINGAHLOHYWCR-UHFFFAOYSA-N 328.803 4.181 0 1 EIAF CCc1nn(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496419 BPCSCPJPHFXTEM-MRXNPFEDSA-N 344.842 4.221 0 1 EIAF CCCOc1cccc(Cc2nc3c(Br)ccnc3[nH]2)c1 587569210 POBAEILQMDWUEP-UHFFFAOYSA-N 346.228 4.100 0 1 EIAF C[C@H]([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C 587601124 DXADPGAEHUVIMY-FXHACXQTSA-N 326.392 4.405 0 1 EIAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587766824 HLCRJJQCCVPFPN-QGHHPUGFSA-N 349.247 4.224 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)cc2)N1 587817404 BTHYXEHRWPLIAC-QGHHPUGFSA-N 348.215 4.024 0 1 EIAF Cc1nc(NCCc2ccccn2)cc(-c2ccc3ncsc3c2)n1 653668893 SVEDIEHYYAMZIF-UHFFFAOYSA-N 347.447 4.111 0 1 EIAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccco2)cc1 653729342 TVNIOUPUEVPUTG-IBGZPJMESA-N 346.386 4.280 0 1 EIAF Oc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)c(Cl)c1)NCC2 963342670 RMPHWMLCCVLKFH-HNNXBMFYSA-N 327.733 4.300 0 1 EIAF COc1cccc([C@@H](N)c2nc(-c3cc(F)cc(F)c3)cs2)c1 61898848 QUXUPXIFSYMTEQ-MRXNPFEDSA-N 332.375 4.145 0 3 EIAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(F)cc2)O1 72140773 JSDNDBCFARLCMV-PBHICJAKSA-N 334.387 4.410 0 3 EIAF COc1ccc(CC[C@H]2NCCc3c2[nH]c2ccccc32)cc1OC 26664085 FHRNGQMVYPESAX-GOSISDBHSA-N 336.435 4.005 0 1 EIAF CCOc1nc(C)nc2nc(N)c(-c3c(Cl)cccc3Cl)cc12 27301821 DAIOZZCCJOAUEM-UHFFFAOYSA-N 349.221 4.288 0 1 EIAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3c(C)noc3C)ccc21 28563302 CBEWCJJVGVJDMZ-VQIMIIECSA-N 343.423 4.054 0 1 EIAF C[C@@H](COC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Br)cc1 29462671 HBJYCZVPNMNKRS-QIXHYMPYSA-N 338.289 4.194 0 1 EIAF O=C(O)c1cc(C2CCCCC2)c(=O)n2c1sc1ccccc12 73198151 AQLJMXCGEZWANW-UHFFFAOYSA-N 327.405 4.260 0 1 EIAF Clc1ccccc1-c1nnc2n1N/C(=C/Cc1ccccc1)S2 102892696 VWRPIAGYJKGMQT-PTNGSMBKSA-N 340.839 4.332 0 1 EIAF CCC[C@H]1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O 139380905 FMLDFEYRHVKRTO-HNNXBMFYSA-N 333.391 4.135 0 1 EIAF CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C 169357395 KPUIORAMYKZOGW-POSZSDEYSA-N 329.440 4.489 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1cccc(OC)c1 299845070 IQFCWDUVQCSBGP-VMBXEPDQSA-N 334.415 4.395 0 1 EIAF CCCC1(c2nc3ccc(I)cc3[nH]2)CCC1 586877939 XWSOOUZQIGRIDC-UHFFFAOYSA-N 340.208 4.389 0 1 EIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)ccc3[nH]2)s1 587022988 HIIJQLORFNAVKP-UHFFFAOYSA-N 334.376 4.173 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587066958 WTMASHQFMXVEBJ-UHFFFAOYSA-N 329.787 4.086 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccccn3)c1)O2 587393253 DFTQWGOTSUJREP-LJQANCHMSA-N 346.386 4.471 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3[nH]ncc13)CC2=O 587484898 OLZFWYHWGAANRL-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCCCC[C@]1(C(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 587485948 XODCCNQKGZCXNJ-HXUWFJFHSA-N 348.439 4.192 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccccn1)CC2=O 587492094 WSDHODYNYAQXMU-IERDGZPVSA-N 337.419 4.411 0 1 EIAF CCOC(=O)C[C@@]1([C@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 587523554 KBDAJWBJPWXXGT-SPLOXXLWSA-N 344.451 4.269 0 1 EIAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)c1ccc2c(O)nc(O)nc2n1 587561586 RVAUDBKADFRAQO-GAJOTYCWSA-N 325.412 4.222 0 1 EIAF Cc1[nH]c2cc(F)ccc2c1C(=O)c1cc(Br)ccc1O 587632270 IPJGKSFMAMKYEB-UHFFFAOYSA-N 348.171 4.315 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2)N1 587731915 MAGYRFXTDTWVCG-XXFAHNHDSA-N 338.195 4.351 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC[C@@H](C)O)N1 587834524 SBNHGKTZHXJYPE-USBNGQNGSA-N 344.268 4.105 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(Cl)cc1F 963257058 GJWNZWCQBWRERX-MRXNPFEDSA-N 326.198 4.376 0 1 EIAF COc1ccc(C(=O)Nc2cccc(Oc3cccc(O)c3)c2)cc1 1857750275 HPAXFWPMPRBGDD-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF Cc1cc(-c2c(F)cc3/c(=N\O)ccn(C4CC4)c3c2F)cc(C)n1 19003 OFWWUKJUDNYNAA-KQWNVCNZSA-N 341.361 4.223 0 1 EIAF CC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1 12153131 IYUKVCGRCMQIPB-UHFFFAOYSA-N 338.359 4.324 0 1 EIAF biogenic,in-vitro CN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 13452401 LSIVEFHSNHEZSG-UHFFFAOYSA-N 343.833 4.175 0 1 EIAF Cc1noc(-c2cccs2)c1C(=O)NCCc1cccc(Cl)c1 22659192 VSWATLWKJQBLSV-UHFFFAOYSA-N 346.839 4.337 0 1 EIAF CCCCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27557769 JFGWMAWFJDEKOI-IBGZPJMESA-N 342.826 4.272 0 1 EIAF Clc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 28642354 JQCWNEXLKSGUJQ-GOSISDBHSA-N 340.858 4.293 0 1 EIAF O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccno1 35272362 XNMCUNIKIHKLTG-UHFFFAOYSA-N 331.331 4.249 0 1 EIAF O=C(OCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 49049704 NUZHAISLCVBFBN-UHFFFAOYSA-N 329.827 4.163 0 1 EIAF CN(C)c1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 103185289 YMXLJAUMSGUYIB-HTXNQAPBSA-N 344.871 4.100 0 1 EIAF Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)[C@@H](C)C2)cc1 169354945 TVLLCWBBMXDYLI-KRWDZBQOSA-N 346.478 4.427 0 1 EIAF Cc1ncsc1CCc1nc2ccc(F)c(Br)c2[nH]1 587027669 ZOTOPDOYJJNRGW-UHFFFAOYSA-N 340.221 4.015 0 1 EIAF Cc1cc(F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077725 YXBYTIOYWKEBRJ-HNNXBMFYSA-N 329.762 4.281 0 1 EIAF Cc1n[nH]c(C)c1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106589 MBHYZFOYMDFGLG-UHFFFAOYSA-N 339.398 4.377 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 587122739 DCOVFDXXDPSLFG-PWSUYJOCSA-N 349.360 4.351 0 1 EIAF OCc1ccc(F)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587140852 SIUWZWVDHGFKMO-UHFFFAOYSA-N 328.240 4.019 0 1 EIAF CC(C)Oc1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166942 KNCZKHWAMAPLIW-KTKRTIGZSA-N 339.370 4.141 0 1 EIAF Cc1cncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195722 JARHPGRZUWFXJV-UHFFFAOYSA-N 328.419 4.473 0 1 EIAF CC(C)[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C 587199138 WYZYYJHKRQISAE-LBPRGKRZSA-N 330.657 4.238 0 1 EIAF Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1F 587204976 MTRQLXJDVMQYRK-OAHLLOKOSA-N 349.450 4.492 0 1 EIAF Nc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc2ccccc12 587254377 OAUHHHZHLASDFF-UHFFFAOYSA-N 339.301 4.287 0 1 EIAF Cc1ccc2c(ccc3nc(-c4cc(=N)[nH]c5ccccc45)[nH]c32)n1 587254446 UFNKCUFZKCXRQQ-UHFFFAOYSA-N 325.375 4.047 0 1 EIAF COc1cccc(-c2cc(-c3nc[nH]n3)nc3c2oc2ccccc23)c1 587364307 ZUPWGGSTJJNLCX-UHFFFAOYSA-N 342.358 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccccc3)n1)O2 587412082 GXNFJUCIUYHDIZ-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(CC)c1O 587450015 LNLLKJMXMKKMOO-IIBYNOLFSA-N 338.403 4.014 0 1 EIAF C[C@]1(CN2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514324 NPRZFWNUQVMFSB-OAQYLSRUSA-N 327.468 4.165 0 1 EIAF COCC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797585 WGMAUPJSANJTIT-BZNIZROVSA-N 344.268 4.010 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccccc2)N1 587815044 JUZIVFFRYPNXQK-QFYYESIMSA-N 348.215 4.046 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587963998 XNDAYJGOFCOUSW-HTQZYQBOSA-N 330.737 4.393 0 1 EIAF C/C(=C/c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C1CCCCC1 587967392 JGQZSGQETOTULY-PEZBUJJGSA-N 338.499 4.298 0 1 EIAF Cc1cc2c(cc1F)[C@H](c1nc(C(F)(F)F)c(C)s1)NCC2 962148687 UGIIBGPCFBVVDU-GFCCVEGCSA-N 330.350 4.153 0 1 EIAF c1cncc(CN2CCc3sccc3[C@@H]2c2cc3ncccc3o2)c1 962995803 GVYSBGYMVDJZCE-HXUWFJFHSA-N 347.443 4.432 0 1 EIAF COc1ccc(F)cc1[C@H]1C[C@H]1CNC1(c2ccccc2OC)CC1 1772593606 UTOZUXHROYLHEJ-HOCLYGCPSA-N 341.426 4.225 0 1 EIAF CCc1ccccc1-n1ncc(C(=O)Nc2ccc(OC)cc2)c1C 1018241 FQKCTUPSIBVZIK-UHFFFAOYSA-N 335.407 4.004 0 3 EIAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC(C)C)cc1 774356 LQODLBFTUWOTJK-UHFFFAOYSA-N 342.420 4.217 0 1 EIAF CC(=O)NCCCN1c2ccccc2Sc2ccc(Cl)cc21 5832882 QZEAJJHJTPPDMU-UHFFFAOYSA-N 332.856 4.469 0 1 EIAF Cc1cc(C)n2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2n1 13584978 MAUWBNNOFAWGAV-UHFFFAOYSA-N 331.375 4.091 0 1 EIAF CC(C)C(=O)c1c(O)cc2c(c1O)C[C@@H]1C(C)(C)CCC[C@]1(C)O2 14514173 CDSIDDNDJFYVNH-QRWLVFNGSA-N 332.440 4.456 0 1 EIAF biogenic CC(C)(C)c1ccc(-n2ncc3c2-c2ccccc2NC(=O)C3)cc1 28963954 VBVSMMHTZSXQHM-UHFFFAOYSA-N 331.419 4.331 0 1 EIAF COCOC1=C2CC[C@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 29343124 YFEAKLGYPVTOND-UGGHSASASA-N 346.467 4.036 0 1 EIAF CCCCC[C@@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C/CCCC(=O)O 33822365 NNPWRKSGORGTIM-KOUCXGGUSA-N 336.472 4.158 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC2CCCC2)N3C)cc1 36271095 PSQGGMTYCHMOPL-RSPOEFSDSA-N 327.468 4.047 0 1 EIAF COc1ccc2nc([C@@H](C)Cc3cc4c(cc3Cl)OCO4)[nH]c2c1 40829396 VACYETCMLUVLRU-JTQLQIEISA-N 344.798 4.300 0 1 EIAF CC(=O)Oc1cc(O)cc(OCc2ccc(Cl)c(Cl)c2)c1 71329111 KEJXBBWQIZCCGX-UHFFFAOYSA-N 327.163 4.203 0 1 EIAF COc1cc2nc(Cl)nc(Nc3cc(C)ccc3F)c2cc1OC 95558352 NIJLAIGMTYDTQR-UHFFFAOYSA-N 347.777 4.492 0 1 EIAF COC(=O)[C@H]1[C@@H](c2cccc(-c3ccsc3)c2)C[C@@H]2CC[C@@H]1N2C 169369624 OECDZVROWVHNGS-RDGPPVDQSA-N 341.476 4.154 0 1 EIAF Oc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)n1 169726265 UXZJVRXEHFRETN-INIZCTEOSA-N 339.395 4.344 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C 238743286 XYBAYFQGNADPLS-YNDCGCGASA-N 330.424 4.172 0 1 EIAF CCc1ccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2c1 587155792 HIQSCEXXQRRPHL-UHFFFAOYSA-N 336.370 4.126 0 1 EIAF Cc1nccc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587224209 GJRLDWRHYKCBMM-OAHLLOKOSA-N 330.432 4.022 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c[nH]cc32)[C@@H]1c1ccc(F)cc1 587343678 DAVXSKSHVILTPC-TZIWHRDSSA-N 349.361 4.060 0 1 EIAF CC[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383804 VOFRHDORIPJBDW-IBGZPJMESA-N 347.361 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3nc(C)cc3C)cc1)O2 587391223 LRFAUMTUVRNFFA-HXUWFJFHSA-N 347.418 4.086 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O 587447389 RFVPDDVOVOCSNQ-JKSBSHDWSA-N 334.415 4.395 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)ccc31)CC2=O 587471294 KUFVGACMXRKUHI-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OC)CC2=O 587478865 KPHSZNNTHVXONP-FQEVSTJZSA-N 326.392 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C1CCC1)CC2=O 587488886 KWRWVLVNHFVEOI-OAQYLSRUSA-N 337.419 4.401 0 1 EIAF CCC[C@]1([C@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520666 APWSISVWTHWMOO-DYESRHJHSA-N 344.451 4.269 0 1 EIAF O=C1C[C@H](c2nc(-c3ccccc3)no2)Oc2c1ccc1c2CCCC1 587525789 OAAJRBWSEQBNDZ-GOSISDBHSA-N 346.386 4.322 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3c(Cl)ncnc3[nH]2)cc1 587565165 ZJZAOSMXMNXISC-UHFFFAOYSA-N 330.819 4.273 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587771570 MKECTZOJKVSRSZ-QGHHPUGFSA-N 349.247 4.169 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2)cc1O 587786700 PGILKURUPSVINH-UHFFFAOYSA-N 332.359 4.317 0 1 EIAF CC(C)C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819455 ICOGZWXHWFLHPF-LWOUBBNUSA-N 326.253 4.384 0 1 EIAF Cc1ccc(C(=O)Nc2ccc(-c3cccc([C@H]4CCO4)c3)cn2)cn1 1772605722 YIUHVVITYJEOBV-LJQANCHMSA-N 345.402 4.166 0 1 EIAF O=C(Nc1nc2ccccc2o1)c1ccc(C(=O)c2ccccc2)cc1 1911584124 WDFCGEVXWFPWRD-UHFFFAOYSA-N 342.354 4.311 0 1 EIAF CCO[C@@H](C=Cc1ccccc1)C[C@H](O)CCc1ccc(O)cc1 2356466484 IADMDBFYOJAYAV-RTWAWAEBSA-N 326.436 4.194 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@H](C[C@H]32)[C@]5(C)C4)[C@@]1(C)CO 2356549698 IIFAULFSLBRVHS-YKMFDDBMSA-N 346.511 4.179 0 1 EIAF S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4886614 PYRRMLCJNCDCHF-ZXFUBFMLSA-N 349.931 4.174 0 3 EIAF CCO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 13557128 MDLRKEWDNACVBE-XMMPIXPASA-N 346.342 4.181 0 1 EIAF COc1cc(NC(=O)/C=C/c2cccc(C)c2)ccc1-c1cnco1 13818695 JRZRCBFCJMVSEC-RMKNXTFCSA-N 334.375 4.311 0 1 EIAF C[C@@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1OCC2=O 26988929 COHCBZXNSQMOML-WKDRNLAYSA-N 340.463 4.422 0 1 EIAF CCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(O)c1 28523898 KCUUTQRYMODZFC-KRWDZBQOSA-N 328.799 4.133 0 1 EIAF CC(=O)c1ccc2c(c1)N(C(C)=O)c1cc(C(C)=O)ccc1S2 29337982 LCTKWBLRAXZSTB-UHFFFAOYSA-N 325.389 4.241 0 1 EIAF O=C(CC(=O)c1ccc(F)cc1F)c1ccc(Br)cc1 103221596 UUYUFNBVOGOAHL-UHFFFAOYSA-N 339.135 4.183 0 1 EIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1 118271561 KJZDCXODLYJMAX-GOSISDBHSA-N 335.407 4.137 0 1 EIAF COc1cc2ccc([C@](O)(c3cncs3)C(C)C)cc2cc1OC 145064984 RBHSEBMDGMNLDP-IBGZPJMESA-N 343.448 4.205 0 1 EIAF Clc1ccc([C@H](C[C@@H]2CCCCO2)Cn2cncn2)c(Cl)c1 230558365 ZLCZZBPSNLEAIT-OCCSQVGLSA-N 340.254 4.328 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C 238766004 BAHLYRYDRNWKKI-ZXPPNJHRSA-N 330.424 4.268 0 1 EIAF COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)O[C@@H]2OC 238782654 VBJOLSGDSCKIHA-FQEVSTJZSA-N 336.343 4.036 0 1 EIAF O=C(O)c1cccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899090 STJIKRBRMCEAIH-UHFFFAOYSA-N 330.343 4.301 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 586908820 DIPNNCKAOAKSKK-CABZTGNLSA-N 327.197 4.137 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(SC)cc2[nH]1 586962700 GSTFHMAUHRKWJA-CYBMUJFWSA-N 346.481 4.332 0 1 EIAF CC(C)(C)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586968843 RELDZGRLBRRBHQ-UHFFFAOYSA-N 341.436 4.099 0 1 EIAF COc1cncc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016436 VXUCHZFXBMHVAL-UHFFFAOYSA-N 342.811 4.410 0 1 EIAF COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1F 587026393 CRQVNUKIKXPRAZ-UHFFFAOYSA-N 343.383 4.326 0 1 EIAF CC(C)(C)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2n1 587060195 FFPUVTBGZSEDSQ-UHFFFAOYSA-N 328.803 4.161 0 1 EIAF Cc1nn(-c2cccc(-c3nc4cc(F)cnc4[nH]3)c2)c(C)c1Cl 587064924 JBNRMRWENDPWFS-UHFFFAOYSA-N 341.777 4.220 0 1 EIAF Cc1ccc2c3c(cc(Cc4cnccn4)nc13)-c1ccccc1C2=O 587098472 VJKBVVMHODNDFH-UHFFFAOYSA-N 337.382 4.135 0 1 EIAF CO[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099354 FSPRDILWZRYCFF-ZDUSSCGKSA-N 329.399 4.258 0 1 EIAF Nc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1N 587148364 BYVPLIWWKXIJRT-IBGZPJMESA-N 347.397 4.068 0 1 EIAF COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1F 587228879 IYQHJUHNBWAYPR-UHFFFAOYSA-N 343.402 4.072 0 1 EIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccnc(O)c2[nH]1 587247477 MVQMBMZWVCYITN-UHFFFAOYSA-N 346.390 4.078 0 1 EIAF C[C@@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351833 HLXVUKJMBFTCMF-ICSRJNTNSA-N 326.367 4.449 0 1 EIAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376860 UMCLDDMGCDYLJU-KRWDZBQOSA-N 331.799 4.336 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(F)cc1F)CC2=O 587467821 UMNLZFAUSXAMRP-INIZCTEOSA-N 336.309 4.469 0 1 EIAF CCC1(CC)[C@H](OC)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522625 JNSHQXLTOHMILH-NQIIRXRSSA-N 328.452 4.495 0 1 EIAF Cc1ccnc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587525488 NPYKUCFKPYYTOL-GOSISDBHSA-N 332.403 4.457 0 1 EIAF O=C(O)c1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529010 HRHKVCYSYZKSSV-QFIPXVFZSA-N 348.398 4.071 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCC(F)(F)F 587548573 ODTWXAOGRDDKHU-GXTWGEPZSA-N 338.281 4.065 0 1 EIAF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cccc(F)c23)cc1 587636046 YERGCQLVZVKUDD-UHFFFAOYSA-N 340.354 4.044 0 1 EIAF Cc1cccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1C 587873807 NNYIENLJZIXCJC-UHFFFAOYSA-N 338.338 4.131 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587952641 VAYQBVIMKYOJIG-SIIHOXLZSA-N 343.471 4.311 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@H]3CCO[C@H]2CCCCO2)cc1 962659179 AYLFUJWBLFGYOJ-VXKWHMMOSA-N 337.463 4.474 0 1 EIAF Cc1ccccc1[C@]1(CC(C)C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963034945 VXAOJFBNOHNZTE-HXOBKFHXSA-N 348.490 4.338 0 1 EIAF C[C@@H](Oc1ccccc1)[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963354649 XSALZAVUPKHPIB-HXOBKFHXSA-N 345.442 4.249 0 1 EIAF CNCc1ccc(-c2cc(F)cc(CCc3cc(C)cc(N)n3)c2)cc1 1772587494 GVVLUDXSKQBLBI-UHFFFAOYSA-N 349.453 4.283 0 1 EIAF O=C(CC1CCCC1)Nc1nn2cccnc2c1-c1ccc(F)cc1 1857599619 UJMVKDZGOKTDOJ-UHFFFAOYSA-N 338.386 4.054 0 1 EIAF O=C(O)CCCC=CC[C@H](O)C=CC=CCC=CCCCCCO 2356497110 AEHUQHOABRTKBQ-LJQANCHMSA-N 336.472 4.160 0 1 EIAF CCCCCC=CC=C[C@@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1OC 2356563784 MERZFCDASXJJEF-YJBOKZPZSA-N 332.396 4.017 0 1 EIAF CN1C[C@@H]2CC[C@@H]3[C@]4(C)CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C1 2356691915 BHQKVMLULBYHBA-OVFLGSAZSA-N 328.544 4.208 0 1 EIAF CCCCN(C(=O)CCC(C)C)[C@H](CC)C(=O)NCc1ccccc1 2356874747 YYTIJCYDYWCNMX-LJQANCHMSA-N 346.515 4.146 0 1 EIAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(CCc2ccccc2)CC1 13554244 AFLMEDYILBVTLD-UHFFFAOYSA-N 348.446 4.359 0 1 EIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc[nH]c2c1 13761440 WZHOAULQEMIRNU-KRWDZBQOSA-N 349.478 4.166 0 1 EIAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@]54C)[C@@H]2CC[C@@H]13 26467015 SGXWBMFFSSZDCX-PNJJLNSLSA-N 330.468 4.140 0 1 EIAF CCc1ccc(-n2ccc3c(sc4nccc(OC)c43)c2=O)cc1 35285465 GFFRNKSYOJSMMI-UHFFFAOYSA-N 336.416 4.171 0 1 EIAF FC(F)(F)c1cc(Nc2ccccc2)nc(NCc2ccccn2)n1 45350051 XSMGYUFEEFFXKM-UHFFFAOYSA-N 345.328 4.246 0 1 EIAF CC1(C)C[C@@H](NC(=S)Nc2cccnc2)c2cc(Cl)ccc2O1 45393539 BTRYMQRDYTUDEA-CQSZACIVSA-N 347.871 4.324 0 1 EIAF Fc1ccc(Cc2nn3cc(-c4ccc(F)cc4)nc3s2)cc1 71296113 ZXRZEKZSTYOEHE-UHFFFAOYSA-N 327.359 4.327 0 1 EIAF CC(C)Cc1ccc([C@H](C)C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)cc1 102053009 UZRZFHJTHKHIRC-SNRMKQJTSA-N 329.484 4.157 0 1 EIAF Cc1ccc(-c2ncnc(Nc3ccc4ccncc4c3)c2O)cc1 115621508 ZARGVRTWVPFMFS-UHFFFAOYSA-N 328.375 4.449 0 1 EIAF CC(C)Oc1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1 216021597 NPKSZYRCGUPKKY-UHFFFAOYSA-N 330.771 4.369 0 1 EIAF COC(=O)c1cccc2nc(CCCCCCCCCCCO)[nH]c12 586894484 HZFOPYIAAJTKEZ-UHFFFAOYSA-N 346.471 4.395 0 1 EIAF Cc1ccc(CSCCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586970293 KPYHHJXMVJMUOZ-UHFFFAOYSA-N 344.411 4.185 0 1 EIAF Cc1cc2nc(CCc3scnc3C)[nH]c2cc1Br 587027262 UFBKUPQUDFDHCQ-UHFFFAOYSA-N 336.258 4.184 0 1 EIAF Cc1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 587089134 KOXRMIUGVBRLEC-UHFFFAOYSA-N 338.155 4.169 0 1 EIAF CCCCOc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br 587259569 VTFISTQQSGFMSW-AWEZNQCLSA-N 340.265 4.160 0 1 EIAF C[C@@H]1SCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587371395 DGEJORNTJMHAAG-WOVYWWTOSA-N 344.407 4.154 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1F)O2 587384691 IARSJGRQNDCTFA-LJQANCHMSA-N 336.366 4.214 0 1 EIAF COC(=O)c1sccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530289 DXNXUOOJCOXIML-INIZCTEOSA-N 342.416 4.120 0 1 EIAF COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587631095 XCXJHXOHRNGYME-UHFFFAOYSA-N 335.737 4.482 0 1 EIAF COc1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1O 587787551 XJKCNTMSRKOJHI-UHFFFAOYSA-N 326.249 4.102 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2)N1 587815724 PDTHGMILCPQRFB-DIFFPNOSSA-N 334.232 4.386 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4c(C)nccc4[nH]3)c2)c1 587930677 FNTYYBLFLGKWHN-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF Nc1ncc(Cl)cc1[C@@H]1c2ccsc2CCN1Cc1ccco1 962704143 ISQWOJXHHFPALA-INIZCTEOSA-N 345.855 4.119 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2NC(C)=O)N1 962944880 ICNKHXIKHRIGEG-VLIAUNLRSA-N 333.435 4.140 0 1 EIAF CC(C)(C)CN1CCOC[C@@H]1c1ncc(-c2ccc(Cl)s2)[nH]1 2356302416 UYMACDVRAUNZGZ-GFCCVEGCSA-N 339.892 4.211 0 1 EIAF Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc43)cc12 4902642 NYHVICADPQBOJZ-UHFFFAOYSA-N 328.371 4.492 0 3 EIAF CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21 3832238 HSEYKDNBMMUBTH-UHFFFAOYSA-N 342.402 4.222 0 1 EIAF COc1cccc(C(=O)NC(C)(C)C(=O)c2cc(C)cc(C)c2)c1C 13490021 AFSVPYPCRAVDNX-UHFFFAOYSA-N 339.435 4.012 0 1 EIAF CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC 13676223 DEBQVAUIPWIBMA-UHFFFAOYSA-N 341.386 4.178 0 1 EIAF O=C(O)c1cccc2c1Cc1c-2[nH]c2ccc(OC(F)(F)F)cc12 26179613 HXYYJOJHHNDHFF-UHFFFAOYSA-N 333.265 4.336 0 1 EIAF CC(=O)N1CCC[C@@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26952391 WPMYIIBVFOXKEL-NXWUBYMWSA-N 347.543 4.381 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@@]2(O)C(F)(F)F 29554405 KUAIWVAYBRZSER-BDXSIMOUSA-N 340.385 4.486 0 1 EIAF CC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1 66103259 FPVZCBFCYKMVAE-UHFFFAOYSA-N 325.318 4.047 0 1 EIAF O=c1oc2cc(OCCCOc3ccc(Cl)cc3)ccc2s1 103168246 GGTXRQYUMYZIBP-UHFFFAOYSA-N 336.796 4.356 0 1 EIAF Oc1cnccc1CCCOc1cccnc1Oc1cccc(F)c1 138862646 GQJVWPSNLAAUFU-UHFFFAOYSA-N 340.354 4.125 0 1 EIAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 169316433 FGXZPRXFLNGHFB-FKVLARQCSA-N 349.474 4.475 0 1 EIAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CC[C@H](O)[C@@H]1C)C2 238736791 BXZWIUVNHZFQCC-DZXDFRQDSA-N 332.440 4.108 0 1 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](CC[C@@H]12)C3 257702709 YQNLDLVKFNZFTI-RXYIWQGDSA-N 332.440 4.105 0 1 EIAF endogenous,in-man O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)cc2[nH]1 586881676 HUWLRGDJBHSMAL-YVMONPNESA-N 343.180 4.194 0 1 EIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(F)cc3[nH]2)s1 587014874 SDOPKHPBPUZNFL-SECBINFHSA-N 335.404 4.240 0 1 EIAF COc1ccc2nc(-c3nc4c(Cl)ncc(C)c4[nH]3)sc2c1 587035867 VDKCBWYZQNPWPG-UHFFFAOYSA-N 330.800 4.205 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C1(CCOCC1)C4)-c1ccccc1C2=O 587101990 SCUDZUGCBBJWHL-UHFFFAOYSA-N 341.410 4.359 0 1 EIAF FC(F)Oc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587130741 PMIAKNBDJJTCRC-UHFFFAOYSA-N 329.228 4.245 0 1 EIAF Fc1cc(F)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1 587134110 HZYMPIRAIYTRNK-UHFFFAOYSA-N 334.244 4.353 0 1 EIAF Cc1cc(Cl)cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587172851 NKOQUJUGJRWXMB-GOSISDBHSA-N 344.773 4.292 0 1 EIAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)O2 587174727 RSVGKJPYLAKJPC-AWEZNQCLSA-N 338.260 4.277 0 1 EIAF O=C(CCCS(=O)(=O)c1ccc(F)cc1)c1coc2ccccc12 587280831 BVPLIJWTZVVORU-UHFFFAOYSA-N 346.379 4.009 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cccnc1)O2 587394135 CTWBTXMKULZCLQ-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccccc4)s1)[C@@H](C2)C3=O 587449589 BSTXUYRIMJIOGU-IFXJQAMLSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C)n(C)c1C)CC2=O 587469874 HTATXGDXXJSFQQ-SFHVURJKSA-N 327.424 4.315 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(CN(C)C)cs1)CC2=O 587493365 GKLJSOORFOQDRP-KRWDZBQOSA-N 345.464 4.174 0 1 EIAF O=C1C[C@H](c2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 587496220 AHTRVSDCSOKWPY-CYBMUJFWSA-N 349.217 4.369 0 1 EIAF Cc1cccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn12 587515752 QQSCEFBZQAOSDO-IBGZPJMESA-N 332.403 4.228 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1ccnc2cc(Cl)ccc12 587652102 WISZJRPUIOAWDB-UHFFFAOYSA-N 342.185 4.241 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)OCc1ccccc1 587872531 ZRGPZKIOYDDCIK-UHFFFAOYSA-N 340.354 4.273 0 1 EIAF Cc1n[nH]cc1-c1nnc(-c2ccc(OC(C)C)c(Cl)c2)s1 653709024 KXMWZFQYNRRMQM-UHFFFAOYSA-N 334.832 4.344 0 1 EIAF C[C@@H](Cc1ccc([Si](C)(C)C)cc1)CN1CC[Si](C)(C)CC1 653762758 JCQWKZLNBDZKEG-KRWDZBQOSA-N 333.668 4.434 0 1 EIAF O=C(Nc1cccnc1)c1ccc(OC(F)F)c(OC2CCCC2)c1 1772616388 BPBJURKFWJXNTD-UHFFFAOYSA-N 348.349 4.257 0 1 EIAF CC(C)C(=O)c1c(O)cc(O)c(Cc2ccc(C(C)C)cc2)c1O 1772654820 WZBJHLFMENDMGF-UHFFFAOYSA-N 328.408 4.356 0 1 EIAF O=C(c1cnc(Nc2ccccc2)s1)c1cc2ccccc2oc1=O 1857612233 BSPRMNOKTDCJDN-UHFFFAOYSA-N 348.383 4.224 0 1 EIAF NCc1cccc(-c2cccc(NC(=O)CCc3ccccc3)c2)c1 1857644449 MWOUCVQIGQKXGO-UHFFFAOYSA-N 330.431 4.384 0 1 EIAF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C=Cc1ccc3c(c1)OCO3)C2 2356633205 PYUDOIXLMHGZJD-VHFSOBRXSA-N 328.408 4.187 0 1 EIAF CCN1C(=O)C[C@H](c2ccc(OC)c(OC)c2)Sc2ccccc21 253157 FXOGGGPHVCOJNL-GOSISDBHSA-N 343.448 4.294 0 1 EIAF C[C@@H]([C@@H](O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 13825281 MJFXQINBAMQTEC-HRAATJIYSA-N 327.443 4.202 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36289458 QLZOSNWYWZNEJT-ARXXEPJESA-N 330.468 4.452 0 1 EIAF COc1cc2c(cc1O)C[C@H](C)[C@@H](C)[C@@H]2c1ccc(OC)c(OC)c1 43067674 PLNZSVOTOMAFQW-OSRJUQGESA-N 342.435 4.378 0 1 EIAF biogenic Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(Cl)c1 43075319 CYGXJJSQRCWKRQ-HIFRSBDPSA-N 339.817 4.168 0 1 EIAF c1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1 63298286 CALAEFSQWBJMDU-UHFFFAOYSA-N 332.411 4.017 0 1 EIAF Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1 66058913 VWOHPBLHZAONKH-UHFFFAOYSA-N 328.170 4.275 0 1 EIAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 100778406 BZEWSQBMUDXXBU-AAVRWANBSA-N 331.765 4.038 0 1 EIAF Cc1cccn2cc(CSc3nc(-c4ccccc4)cn3C)nc12 113424226 KYTAJZOHZCZRLQ-UHFFFAOYSA-N 334.448 4.336 0 1 EIAF Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C 144660364 MGVBAXYGKWRCMP-UHFFFAOYSA-N 346.390 4.031 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 587079058 FXVVRHZBJWKAIV-ZETCQYMHSA-N 343.740 4.465 0 1 EIAF COc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587097688 MWRYCYGALZGKJO-UHFFFAOYSA-N 345.683 4.445 0 1 EIAF C[C@H](c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1C(F)(F)F 587098648 WDCXJWHVZKMDEA-ZETCQYMHSA-N 326.709 4.129 0 1 EIAF Fc1cc(Br)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 587161355 QETGCKDEZKSWBZ-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1C)O2 587376116 HHNCRFQPMUWIJB-INIZCTEOSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCSc1ccccc1)O2 587411171 YGPOTJXQAAAUBE-IBGZPJMESA-N 327.449 4.484 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(F)c1F)[C@@H](C2)C3=O 587422276 CRWJUJIYHHKYKB-DYZYQPBXSA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587446196 UYOUAKBDPGHLRE-PGRDOPGGSA-N 334.415 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](COc1ccc(C)cc1)CC2=O 587477746 GLBCRXGNXDYHTI-OAHLLOKOSA-N 326.392 4.066 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(F)c(F)c2[nH]1 587933945 AWSBMUXJQXMLSZ-UHFFFAOYSA-N 326.346 4.422 0 1 EIAF COc1cc(-c2ccnc3c2c(C)nn3-c2cccc(F)c2)ccc1O 1857550295 UOMZBLYIBKNOCS-UHFFFAOYSA-N 349.365 4.249 0 1 EIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC(=O)O)CC[C@@H]12 2356708401 OMIRDMKISVBCGX-KRIHYMMOSA-N 334.500 4.481 0 1 EIAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5=C(C)NC[C@]54CC[C@@H]32)C1 2356739734 YDHWVBOTXSGPIM-YYKYIQLUSA-N 328.544 4.474 0 1 EIAF O=C1SC(SCc2ccccc2)=N[C@@]12C[C@H]2c1ccccc1 1658327 LIJGKDZNDFHBDY-MAUKXSAKSA-N 325.458 4.476 0 1 EIAF C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(/C)CC[C@H]12 5371368 SORYERHBQFTRIK-DQRSHNLVSA-N 330.424 4.342 0 1 EIAF Fc1ccc(-c2noc3ncnc(Nc4ccc(F)cc4F)c23)cc1 8673981 WNKFHIGEQAWDFJ-UHFFFAOYSA-N 342.280 4.446 0 1 EIAF CC(C)=CCOc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 14652638 ROEMBGXPFRKXKV-UHFFFAOYSA-N 326.392 4.258 0 1 EIAF biogenic CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1cc(O)c(O)c(OC)c1)O2 15153165 SMOZKDIFJUIAKQ-WYRIXSBYSA-N 342.391 4.385 0 1 EIAF biogenic Nc1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 28567726 HBPGBIHYZLDOLG-UHFFFAOYSA-N 328.375 4.309 0 1 EIAF CCN1CCN(C2=Nc3ccc(F)cc3CC=C2c2ccccc2)CC1 40632180 XXQRLZVJNVWFHM-UHFFFAOYSA-N 349.453 4.133 0 1 EIAF Cc1ccc(Nc2ncc(C(=O)N3CCCC[C@@H]3C)cc2Cl)cn1 45347459 QNYQRZYDZSRQND-ZDUSSCGKSA-N 344.846 4.197 0 1 EIAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ccccc3Cl)cc2)S1 45366234 WUQGICMEGMPYFK-AWEZNQCLSA-N 333.796 4.026 0 1 EIAF Cc1c(Oc2cc(Cl)cc(Cl)c2)c(C(C)C)nn1CCO 64513126 DGACOYQWHAUHJF-UHFFFAOYSA-N 329.227 4.406 0 1 EIAF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccco2)sc1C 82165629 IZUFIWNMEQNJTA-UHFFFAOYSA-N 326.425 4.077 0 1 EIAF Fc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)c(Cl)c1 96284408 QYORSSQEOKIQTC-QHHAFSJGSA-N 344.729 4.428 0 1 EIAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O 169720232 LMJBWKNSUUFNQH-WYRIXSBYSA-N 346.398 4.412 0 1 EIAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCOC4)cc3)cc12 216023275 TUUFQCJDQLTWHC-GFCCVEGCSA-N 342.782 4.085 0 1 EIAF Cc1nccc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc12 586914423 HULSIBCCUQAASS-UHFFFAOYSA-N 345.358 4.035 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(Br)cc(F)c3[nH]2)s1 587011196 DPXFBHSDNVLNBL-UHFFFAOYSA-N 340.221 4.129 0 1 EIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(F)c3[nH]2)cs1 587019481 OTLAWSZHPSRPJP-UHFFFAOYSA-N 348.403 4.096 0 1 EIAF COC(=O)[C@@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106619 JYGQSYOKHITISL-OAHLLOKOSA-N 343.382 4.039 0 1 EIAF Cc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2n1 587157517 ABCZJFCRWBXQCC-UHFFFAOYSA-N 343.365 4.411 0 1 EIAF COC(=O)Nc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587243218 GKKJDZXPRBOMFZ-UHFFFAOYSA-N 337.713 4.340 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1ccc(F)cc31)O2 587385830 VNLVPNPCWKRDMV-FQEVSTJZSA-N 336.366 4.005 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1)O2 587401099 SLMOYUGSLRYYTB-FQEVSTJZSA-N 336.435 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccc1F)CC2=O 587466087 JOULBXBJXSGOMQ-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn3cc(C)ccc3n1)CC2=O 587489662 MXJFIVLKEXPNAA-SFHVURJKSA-N 336.391 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1scnc1C1CC1)CC2=O 587493676 FXLIEDGPLGXIAU-HNNXBMFYSA-N 329.421 4.385 0 1 EIAF CO[C@@H]1[C@H](C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587524114 NIGXRYKYSOYHOL-DRWCTHJISA-N 326.436 4.104 0 1 EIAF C[C@@]1(c2c[nH]c3ccncc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525521 NSRGQUCGMXJVNH-NRFANRHFSA-N 332.403 4.322 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587938549 XDSMHHSCVVTVMO-JDNHERCYSA-N 334.778 4.201 0 1 EIAF NC(=O)c1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955250 JMYBHBYILFOOTO-GOSISDBHSA-N 341.414 4.036 0 1 EIAF Fc1ccccc1CN=c1ccc(NCc2ccccc2F)c[nH]1 1857621182 CXTNIDHNOXFWQY-UHFFFAOYSA-N 325.362 4.006 0 1 EIAF COc1cc(O)ccc1C=CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2356592578 CPJMZTUMYSQEGK-CFLQYTFWSA-N 330.424 4.172 0 1 EIAF C[C@@H]1CCC[C@@H](C)N1N/C=C1\C=Nc2ccc(Br)cc21 13119139 WOLYPCIGPGMQGS-NQJDNNLISA-N 334.261 4.273 0 3 EIAF Oc1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 146714 RPHCVCAQXAYJJC-UHFFFAOYSA-N 347.218 4.140 0 1 EIAF O=C(O)c1ccc2sc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 13581697 CYADWWGCOSPMFG-UHFFFAOYSA-N 340.444 4.428 0 1 EIAF CN(C)CCCCCC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 13825199 AJWIUYZZRKCLRT-OAQYLSRUSA-N 331.500 4.146 0 1 EIAF COc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl 29126369 FIPGHEZHGRHZAG-UHFFFAOYSA-N 349.221 4.195 0 1 EIAF Nc1c2c(nc3cc(Br)ccc13)N(C1CCCCC1)CC2 29213960 GBMCAAQLZNVPEP-UHFFFAOYSA-N 346.272 4.275 0 1 EIAF O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 35000658 QGEFGRKOALZSHD-UHFFFAOYSA-N 348.406 4.317 0 1 EIAF COc1ccc([C@@H]2C[C@@H]2C2=NCCc3cc(Cl)c(O)cc3N2)cc1 45298375 VPKCLHWPSFNHSU-GJZGRUSLSA-N 342.826 4.224 0 1 EIAF CCOC(=O)c1sc(-c2nc3ccccc3n2C(C)C)nc1C 66078366 FQCNMIDILQNUMB-UHFFFAOYSA-N 329.425 4.226 0 1 EIAF O=c1c2ccc(Br)cc2sn1-c1ccc(Cl)cc1 72176729 PVDFKVXJLZVPMZ-UHFFFAOYSA-N 340.629 4.468 0 1 EIAF CN1C(=O)CO[C@@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 95602572 ZUYDNBDMQAEZPD-SJORKVTESA-N 336.218 4.264 0 1 EIAF Cc1ccc(Cc2cnc(-c3ccccc3Cl)nc2)c(C(=O)O)c1 96173374 RSUQFGQDRAHWSX-UHFFFAOYSA-N 338.794 4.394 0 1 EIAF O=C1Nc2cc(C(F)(F)F)ccc2[C@@H]1c1cc(Cl)ccc1O 101770543 GEYOEKOXFSCBMN-CYBMUJFWSA-N 327.689 4.148 0 1 EIAF CC[C@@H](C)Sc1nc(Cc2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352172 HZVYLOFLALTIQN-SECBINFHSA-N 340.851 4.352 0 1 EIAF CC[C@H](C)Sc1nc(Cc2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352175 HZVYLOFLALTIQN-VIFPVBQESA-N 340.851 4.352 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]32)C1 255232570 MENYRVLDWKVWLK-UAMJIQGISA-N 334.500 4.322 0 1 EIAF CCCCC/C=C/C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 256164320 VNYSSYRCGWBHLG-FPFJHGTJSA-N 336.472 4.158 0 1 EIAF in-vitro Oc1ccccc1C1(c2nc3cc(Br)cc(F)c3[nH]2)CC1 586896695 JLRHOKKJIWHENZ-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF Clc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2nc1Cl 587016250 IKVAYMNOYAVBCZ-VIFPVBQESA-N 341.223 4.240 0 1 EIAF Cc1cc(C)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077595 XNDARAIVQFHASM-INIZCTEOSA-N 325.799 4.450 0 1 EIAF Cc1ccc2c3c(c(CCC[C@H](C)O)cnc13)-c1ccccc1C2=O 587100759 HYTAOQWDBDLFGT-AWEZNQCLSA-N 331.415 4.458 0 1 EIAF Cc1cc(Br)cc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587133847 DDUHTPBDSGAHLV-UHFFFAOYSA-N 339.139 4.285 0 1 EIAF Fc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587143325 BQUPNRFDEVORDZ-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF CCc1ccccc1NC(=O)c1nc2c(Cl)nc(Cl)cc2[nH]1 587240449 FRUHQKVDGOCKEV-UHFFFAOYSA-N 335.194 4.079 0 1 EIAF CCOc1ccc([C@@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399056 HNHFOPKWUZZAFI-NRFANRHFSA-N 337.419 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1ccc(C)cc1)[C@@H](C2)C3=O 587446969 JEOPANCKFAFZDM-NPPFBWRTSA-N 334.415 4.458 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(C)(C)C)o1)[C@@H](C2)C3=O 587452653 GJLQFPNBTCUPAB-RBZFPXEDSA-N 326.392 4.249 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cccn3)cc1)CC2=O 587475387 LIENPPLQKGEVOX-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC)CC2=O 587478470 JXVYAOHQFUOOPX-IBGZPJMESA-N 326.392 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1cc(C)cc(C)c1)CC2=O 587479194 BYPGSGJXYHDMGU-IBGZPJMESA-N 338.403 4.178 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]cc(C)c31)CC2=O 587479925 AXELFIJOYPXVQP-HXUWFJFHSA-N 325.408 4.178 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C)cccn13)CC2=O 587488850 KQOWGXLYDBPNAY-SFHVURJKSA-N 336.391 4.007 0 1 EIAF Cn1cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 587516872 FQPXMYDTSTYZDE-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF COc1ccc(NC[C@@H](N)CC(C)C)c(Oc2ccc(Cl)cc2)n1 1772599602 QZXKYANAIMDQEH-AWEZNQCLSA-N 349.862 4.321 0 1 EIAF CC(C)(C)c1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1 1857539738 YPALQOYGSABOFG-UHFFFAOYSA-N 332.451 4.128 0 1 EIAF C[C@@H]1C[C@H](O)[C@H](C)[C@]12CCC1=C2C[C@]2(C)CC[C@](C)(C(=O)O)[C@]12C 2356791711 IXCQNXRKDUGZGO-ZIUDKMAJSA-N 332.484 4.401 0 1 EIAF COc1ccc(-c2n[nH]cc2CN[C@H](C)Cc2ccsc2)c(F)c1 13637185 WITLBTVNKYAQBD-GFCCVEGCSA-N 345.443 4.007 0 3 EIAF c1ccc(-c2nc(SCC3OCCO3)[nH]c2-c2ccccc2)cc1 15099 YLNNMVWQSVEOOD-UHFFFAOYSA-N 338.432 4.209 0 1 EIAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCc1ccccc1F 776218 GTWXMZTXDZZKRG-UHFFFAOYSA-N 342.370 4.301 0 1 EIAF CC[C@H]1CCCN(CCc2c([C@@H](C)C(=O)OC)[nH]c3ccccc23)C1 14693905 MDMQSLUDGHJHNV-CVEARBPZSA-N 342.483 4.109 0 1 EIAF biogenic CC[C@H](C)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 25972084 RTSSDLWGRZSYAV-JTQLQIEISA-N 341.802 4.401 0 1 EIAF Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCCC2)n1 43199898 RTMFABSOYYXMSU-UHFFFAOYSA-N 340.406 4.377 0 1 EIAF O=C1c2ccccc2Oc2ccccc2C12CCN(CC1CC1)CC2 60051827 ZILVZLQHHQZDGY-UHFFFAOYSA-N 333.431 4.419 0 1 EIAF Nc1ncccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 64479766 RRAMCIZUXAAMIB-UHFFFAOYSA-N 339.782 4.362 0 1 EIAF COc1ccc(S(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 103251835 VZQDZEJHGZVQLX-MDZDMXLPSA-N 342.338 4.159 0 1 EIAF O=C(O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12 169348650 BTGCZHXVHNBVIO-UHFFFAOYSA-N 329.570 4.012 0 1 EIAF COc1cc([C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 169598040 QDBUCXMBHJMGCN-IIBDXVJDSA-N 328.408 4.268 0 1 EIAF C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C[C@@H]1CN1 253688863 KRFWHRJXDKUGAA-HYPFVKFKSA-N 329.528 4.288 0 1 EIAF FC(F)(F)c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 586888098 WFUKSFUHHWCSHM-SJCJKPOMSA-N 329.325 4.348 0 1 EIAF Oc1ccc(C2(c3nc4ccc(Cl)cc4[nH]3)CCOCC2)cc1 586912532 FTXXTRWNBDHMIY-UHFFFAOYSA-N 328.799 4.018 0 1 EIAF Clc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 587020816 BGPPKNTYHMUZRI-UHFFFAOYSA-N 326.812 4.326 0 1 EIAF FC(F)(F)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 587025789 QZZQUAFXUWGEFI-UHFFFAOYSA-N 348.400 4.014 0 1 EIAF COc1cc(OC)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 587109298 HDIGVSHUVAGZQQ-UHFFFAOYSA-N 340.276 4.405 0 1 EIAF COc1ccc(Cc2nc3cc(C)c(Br)cc3[nH]2)c(F)c1 587149071 PCIQUIKWCOMJME-UHFFFAOYSA-N 349.203 4.372 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(C(C)(C)c1ccc(F)cc1)[C@@H](C2)C3=O 587427622 JIPHFTSBLMSVRF-KKSFZXQISA-N 340.394 4.318 0 1 EIAF CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529234 LYIKOBVJOHFEHZ-RIVOMEERSA-N 340.463 4.086 0 1 EIAF O=C1C[C@@]2(CC[C@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529830 FCNVBBYDHAXAPG-SIKLNZKXSA-N 334.415 4.253 0 1 EIAF Cc1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 587565951 XYOWMCUHMFEYIN-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF CC(C)c1nn(C)c2c1[C@]1(NCC2)c2cc(Cl)ccc2CC1(C)C 962916203 JDGFNQGQVPMVHL-HXUWFJFHSA-N 343.902 4.169 0 1 EIAF Cc1cc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cnc1Cl 963118888 XXTKTLUFAGTFHW-DNVCBOLYSA-N 330.834 4.467 0 1 EIAF C[C@]1(c2ccc(Cl)cc2Cl)NCCc2c(C(=O)O)cccc21 963126051 VRISEERIHXSWFA-KRWDZBQOSA-N 336.218 4.101 0 1 EIAF CC(C)C[C@]1(c2cccc(Cl)c2)NCCc2c(C(=O)O)cccc21 963135092 WQZOICVTYJIYGU-HXUWFJFHSA-N 343.854 4.474 0 1 EIAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCc1ccco1 1857581513 VDGBZGAYCKKENE-CMDGGOBGSA-N 343.386 4.153 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@](O)(CC[C@H](C)[C@]2(C)CCc2ccoc2)C1 2356379040 GFLGDURTANEUKG-HGWQEYRNSA-N 346.467 4.279 0 1 EIAF CN[C@@H](C(=O)c1ccccc1)[C@H](OC(C)C)c1ccc(Cl)cc1 61705227 KZLHEJJWQRKCFX-PKOBYXMFSA-N 331.843 4.277 0 3 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)(C)O)=CC3=CC[C@H]12 14442195 MNVNTVWDBWQQCE-HRQSHJORSA-N 332.484 4.410 0 1 EIAF biogenic CN1CCN([C@@H]2C[C@H](c3ccccc3)c3ccc(Cl)cc32)CC1 22937762 OUTQVQKOJHLKNN-UYAOXDASSA-N 326.871 4.164 0 1 EIAF O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 71341714 UQGZLTPPVYCJEA-DTORHVGOSA-N 330.598 4.102 0 1 EIAF CCC[C@@H](C)Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 95579669 MRXMCFCNYKAXNF-GFCCVEGCSA-N 340.427 4.368 0 1 EIAF COc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 100068493 AUSKOTBREMYFQZ-UHFFFAOYSA-N 333.366 4.246 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CO[C@@H](C1)O2 100380818 MBYLQCWDOYEQRA-IEBWSBKVSA-N 325.364 4.002 0 1 EIAF CO[C@H](C1=NOCC1)c1ccccc1COc1cc(C)ccc1C 103171634 HLMKARMMWXGVJG-FQEVSTJZSA-N 325.408 4.346 0 1 EIAF COc1ccc([S@@](=O)/C=C/c2ccccc2C(F)(F)F)cc1 103251831 NKOKZHFAODRJKO-NELJVSICSA-N 326.339 4.493 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)nc(C)n2Cc1ccc(O)cc1 169322560 XUMWFFNIMAFKJH-UHFFFAOYSA-N 333.391 4.370 0 1 EIAF CC[C@@H](NC1CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 220703382 FPCMJTNLECTSJK-OAHLLOKOSA-N 332.806 4.308 0 1 EIAF CO[C@@H](C)CCCCCCCCCc1cc(O)cc(O)c1C(=O)O 238763259 GATBOCSPUDOBIM-AWEZNQCLSA-N 338.444 4.494 0 1 EIAF c1ccc([C@H]2C[C@]3(N4CCCC4)CNC[C@@H]2[C@H](c2ccccc2)C3)cc1 299854240 WNGKMIXRPSZBEG-NVPYSNMXSA-N 346.518 4.402 0 1 EIAF Cc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12 587044533 XOMKYXOLTANNQE-UHFFFAOYSA-N 343.477 4.324 0 1 EIAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccnc(O)c4[nH]3)c2)c1 587049192 IGEIISPDONDLPD-UHFFFAOYSA-N 349.777 4.463 0 1 EIAF COC(=O)[C@H](C)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098286 QEKNBGSKNKKOPA-CYBMUJFWSA-N 345.398 4.106 0 1 EIAF N[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F 587158306 WIUXPAJZQJGFBY-JDNHERCYSA-N 336.197 4.350 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587161222 LMKDSVAOBCYOCT-ZIAGYGMSSA-N 336.345 4.298 0 1 EIAF O=C(c1coc2ccc(Cl)cc12)[C@H]1CC(=O)N(c2ccccc2)C1 587278182 IEMIHQQTSYTKKU-LBPRGKRZSA-N 339.778 4.322 0 1 EIAF CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587400233 PFVHVKNCJUIEFB-LJQANCHMSA-N 325.408 4.463 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1C)[C@@H](C2)C3=O 587432779 ZDNYEPYTGQRSMU-AOMKIAJQSA-N 345.398 4.283 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)cc1)CC2=O 587477755 IVRMMTNLVBVWIQ-INIZCTEOSA-N 340.419 4.320 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H](C)CC)CC2=O 587480408 JNLKOJXKPIFFEV-ZUOKHONESA-N 348.439 4.048 0 1 EIAF O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587503319 GIXNXLLVMQDSMF-GOSISDBHSA-N 340.350 4.109 0 1 EIAF O=C1C[C@@H](c2ccc(-n3cccn3)cc2)Oc2c1ccc1c2CCCC1 587517480 OAWXKLHAUIVZPC-NRFANRHFSA-N 344.414 4.458 0 1 EIAF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c(C)c1 587639020 YPTZAVQXPYLETH-UHFFFAOYSA-N 336.391 4.352 0 1 EIAF COC(=O)c1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1OC 587969688 ULRRXURWRXQLAU-VXGBXAGGSA-N 330.428 4.288 0 1 EIAF CCCCC[C@]1(CC2OCCO2)c2c(F)cccc2C[C@@H]2CCCN21 963096721 GELVCWZMVXLCJL-UWJYYQICSA-N 347.474 4.385 0 1 EIAF CC[C@]1(c2ccc3c(c2)OCO3)c2c(F)cccc2C[C@@H]2CCCN21 963118224 ZAXJYBXPCUCJPE-KKSFZXQISA-N 339.410 4.229 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@H]1[C@@]23C 2356383523 PFLSRYIOOFGEGE-HJWMZSJCSA-N 330.424 4.126 0 1 EIAF Cc1cccc(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)c1C 8599507 DXFQPRWOYHEDGT-UHFFFAOYSA-N 348.450 4.035 0 1 EIAF O=C(Cc1cn(-c2ccc(F)cc2)c2ccccc12)Nc1ccncc1 13556563 PAIOGMIJQNLYIG-UHFFFAOYSA-N 345.377 4.346 0 1 EIAF O=C1c2ccccc2CC[C@H]1C1CCN(CCc2ccccc2)CC1 13734267 XHSVWFYHHXOZHB-QFIPXVFZSA-N 333.475 4.386 0 1 EIAF CCOc1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1 26736883 PKUBIFVLLLNKCO-UHFFFAOYSA-N 325.364 4.443 0 1 EIAF in-vivo CC[C@@H](c1ccc(C(F)(F)F)cc1)n1c(C(=O)OC)c[nH]c1=S 28334104 YVJDFGFLUXRHPM-NSHDSACASA-N 344.358 4.350 0 1 EIAF Clc1ccc(CN2CCc3ccccc3[C@H]2Cn2ccnc2)cc1 28761638 YHGBBDADLSBHAB-HXUWFJFHSA-N 337.854 4.336 0 1 EIAF COc1cccc2c1CCN(CCCc1c[nH]c3ccc(F)cc13)C2 29545694 HKMJCOCCPVLYPB-UHFFFAOYSA-N 338.426 4.307 0 1 EIAF COC(=O)[C@H](C)C1=C([C@@]2(C)CCCC(C)(C)C2)CC[C@H]2COC(=O)[C@@H]12 38876146 KJWLJWDXAGRMKP-XGHMHFBMSA-N 348.483 4.282 0 1 EIAF COc1ccc([C@@H](CC(=O)c2ccccc2)SCCC(=O)O)cc1 72113084 YQQIRVSQVMWRAO-GOSISDBHSA-N 344.432 4.217 0 1 EIAF Clc1cccc(Nc2ncnc3c2cnn3CCc2ccccc2)c1 72124991 DYUFLOSTYFXIGG-UHFFFAOYSA-N 349.825 4.466 0 1 EIAF CCCCOCCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086442 FAMAMWYPEWGPFX-UHFFFAOYSA-N 339.391 4.468 0 1 EIAF Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@@H]1C=C[C@@H]2[C@H]2C[C@@H]12 169718553 SDYADZMWEXRUPW-LPWJVIDDSA-N 333.309 4.294 0 1 EIAF Cc1cc(C)cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)c1 203008618 GCZJUGOQVAFFHM-UHFFFAOYSA-N 334.427 4.490 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586894019 XLKNTZLTBSIBHC-VPTHRUTESA-N 338.304 4.265 0 1 EIAF Brc1cc2c(cc1/C=C/c1nc3ccccc3[nH]1)OCO2 586997518 CZMDRGAOTXKHQE-AATRIKPKSA-N 343.180 4.225 0 1 EIAF Clc1cc(Cl)cc(-c2nc(-c3nc4cnncc4[nH]3)cs2)c1 587015297 KRTMFRRZCWZZNG-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF Cc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Cl 587052841 PFALYPDWWZEBSZ-GFCCVEGCSA-N 336.222 4.126 0 1 EIAF Clc1ccccc1CCc1nc2cc3c(cc2[nH]1)OCCCO3 587059068 MMAPUAPQFYYNTB-UHFFFAOYSA-N 328.799 4.163 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(Br)c2[nH]1 587162927 HFWFRWLVVACSPZ-OAHLLOKOSA-N 348.219 4.116 0 1 EIAF Cc1cc(Br)cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587173578 FLMXEYGUPUNFHN-AWEZNQCLSA-N 347.187 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1)O2 587370707 HLULHOBGQFQPFG-OAHLLOKOSA-N 332.197 4.046 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1[nH]c(-c3ccccc3)nc1C)O2 587396391 KEHGMESAPYEXAV-NRFANRHFSA-N 347.418 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OC)C1(CC)CC 587485048 YDXYSJKOCJAXBU-FXAWDEMLSA-N 332.440 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc[nH]n3)o1)CC2=O 587485724 QOMRRRHDQPTHRV-GOSISDBHSA-N 338.363 4.034 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccccn13)CC2=O 587487255 FBZHZZDNJXPBNA-KRWDZBQOSA-N 336.391 4.007 0 1 EIAF CCCOc1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518569 LGQSMHCKEKSTMA-LJQANCHMSA-N 337.419 4.456 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(F)(F)F)N1 587709550 NMQLFFUHVOAFAS-JMCQJSRRSA-N 340.158 4.290 0 1 EIAF CCCCC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813690 PDNNHCAFWFEDMC-QFYYESIMSA-N 342.252 4.097 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCc1ccncc1 587862588 DICSSMHWNFOHLW-UHFFFAOYSA-N 347.340 4.215 0 1 EIAF COc1cc(OC)c2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 587929206 HHKBEVKMUNBKTM-XOBRGWDASA-N 338.407 4.034 0 1 EIAF COc1cc(C)c(OC)n1-c1cnc2cc(Br)ccc2c1 587941856 XDSNXTVFBDETLX-UHFFFAOYSA-N 347.212 4.114 0 1 EIAF CNC(=O)c1cccnc1Nc1cc(-c2ccccc2)cc2[nH]ccc12 1772605381 AYSHYTKVMBHRKY-UHFFFAOYSA-N 342.402 4.333 0 1 EIAF c1cncc(Cc2cc3c(s2)CCN2Cc4ccccc4C[C@H]32)c1 1857630043 DBPAQZZDYZQGGC-HXUWFJFHSA-N 332.472 4.389 0 1 EIAF CCCCc1nc2c(=N)[nH]c3cc(OC)ccc3c2n1CC(C)C 1911578958 BNPZZJJCBTZDEK-UHFFFAOYSA-N 326.444 4.004 0 1 EIAF CCCCCC=CC=C[C@H](O)CC=CC=C[C@@H](O)CCCC(=O)O 2356342950 GVBURXXHWSCJSI-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF Cc1ccc(-c2c(NC(=O)c3cccc(C)c3)nc3ncccn23)cc1 203466031 DVUGQTCDACHTGR-UHFFFAOYSA-N 342.402 4.265 0 3 EIAF CCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 13727217 UCDUMEBNHRLBIQ-UHFFFAOYSA-N 335.407 4.045 0 1 EIAF CC(=O)N1N=C(c2ccccc2Br)C[C@H]1c1ccccc1 28523708 KRJJPYBZKWMWRE-KRWDZBQOSA-N 343.224 4.147 0 1 EIAF COc1ccc(-c2cnc(Nc3ccccc3C)c3cncn23)cc1 28639363 BVNUIPUHMLMEFA-UHFFFAOYSA-N 330.391 4.457 0 1 EIAF Cc1cccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1 45495904 KDOAJWFFACTQJC-UHFFFAOYSA-N 344.374 4.171 0 1 EIAF CCCCCc1c(CCC(=O)C[C@H](O)CCC)ccc(O)c1OC 85597519 INXSWTFQPWVYBO-MRXNPFEDSA-N 336.472 4.186 0 1 EIAF biogenic,in-vitro c1ccc(OCc2nnc(OC3CCCC3)n2-c2ccccc2)cc1 95595922 TUKXMCVAXXDATP-UHFFFAOYSA-N 335.407 4.168 0 1 EIAF CN1CCC[C@H]1Cc1c[nH]c2ccc(CC(=N)c3cccs3)cc12 96177589 PZWUIMJVRXIXJI-INIZCTEOSA-N 337.492 4.477 0 1 EIAF Cc1cccc2c([C@H](O)C[C@@H]3CCCCN3)cc(C(F)(F)F)nc12 169334027 MIZLTSCRUCEYQB-SWLSCSKDSA-N 338.373 4.128 0 1 EIAF CC(C)c1cccc2nc3c(c([Si](C)(C)C)c12)Cn1c-3cccc1=O 195407574 NGSSXOWPPRNPPF-UHFFFAOYSA-N 348.522 4.094 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](O)[C@]4(C)CC[C@H]32)C1 255255746 OQHMNEGOKQMOFM-MTUNSFAGSA-N 332.484 4.242 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 586915748 HKKLHGYEOJXBDQ-ORAYPTAESA-N 342.345 4.058 0 1 EIAF CC(C)OC(=O)C1(c2nc3ccc4c(c3[nH]2)CCCC4)CC(F)(F)C1 587131898 WHOVQLLNUIRSDU-UHFFFAOYSA-N 348.393 4.060 0 1 EIAF N=c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc2[nH]1 587254052 PJUZLHNDSUGIPA-UHFFFAOYSA-N 346.287 4.349 0 1 EIAF CC(C)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346638 JWZXARONVGJQFW-QUCCMNQESA-N 344.382 4.074 0 1 EIAF C[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587374150 OHSSWDFMPLRXES-XTDINYQCSA-N 344.407 4.012 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(-c3ccccc3)no1)O2 587394372 FTTOSNAUVOASDE-FQEVSTJZSA-N 334.375 4.113 0 1 EIAF CCCOc1ccc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587399851 MQCLIXBVKKDDRG-IBGZPJMESA-N 325.408 4.381 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3nccs3)c1)O2 587412579 JHSGYPFDRDMJAR-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H]2CC[C@]1(C)C2(C)C 587477448 CIJKNGPYQGDDKI-IFZYUDKTSA-N 342.435 4.074 0 1 EIAF O=C1C[C@@](CC2CCCCC2)(C(=O)O)Oc2c1ccc1c2CCCC1 587530987 XRHVDQSIYGPMHB-NRFANRHFSA-N 342.435 4.324 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1occc12 587615229 FOUCIKJEMCKWFK-NQIIRXRSSA-N 348.354 4.179 0 1 EIAF Cc1cnccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587775961 VGMHYDOGOASJHQ-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1cc(Cl)ccn1 587871421 WPXLEBMHGFRSLN-UHFFFAOYSA-N 344.777 4.010 0 1 EIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(CO)cc2)n1 653667551 IEZSGQIAVYYJMG-HXUWFJFHSA-N 345.446 4.434 0 1 EIAF O=C(O)[C@H]1CNCC[C@@H]1CC/C=C/c1ccccc1Cc1ccccc1 653717920 YFYGYDHZHRTTIK-PLAAJCSCSA-N 349.474 4.381 0 1 EIAF O=C(O)CCc1ccc(-c2cnc3cnc(-c4cccs4)cn23)cc1 653778375 AJUSNKNHFYVONA-UHFFFAOYSA-N 349.415 4.142 0 1 EIAF COc1cc2ncnc(Sc3cccc(Cl)c3)c2cc1OC 3815181 DLSREUWBAOWMKZ-UHFFFAOYSA-N 332.812 4.452 0 1 EIAF O=C(NC1CCCCC1)Oc1cccc(-c2cccc(CCO)c2)c1 13583504 FFJWEZWZGHOELT-UHFFFAOYSA-N 339.435 4.310 0 1 EIAF CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 13835033 CDMOJXHGXUKXGK-UHFFFAOYSA-N 334.423 4.126 0 1 EIAF C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21)CO 15116847 NXCRMGUYKIJISM-RBYVDDFWSA-N 332.440 4.426 0 1 EIAF O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cccc12)[C@H]1CCCCN1 27524210 OAKOEIPZSOOLIY-IUODEOHRSA-N 344.764 4.083 0 1 EIAF Cc1nc(C(C)C)n2c(Nc3cc[nH]n3)ncc(-c3ccccc3)c12 29413351 AFRUZJGSTHVIKX-UHFFFAOYSA-N 332.411 4.295 0 1 EIAF C[C@H]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)c1cccnc1 29550753 NPQAWCNDVWTXAM-CNNODRBYSA-N 338.495 4.361 0 1 EIAF C[C@@]1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21 40956706 ZEMCXAZYSOBAGF-JOCHJYFZSA-N 335.447 4.206 0 1 EIAF CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(F)cc4)cc3)CN2C=C1 43120852 ASEIDBRACHWYII-LJQANCHMSA-N 346.405 4.479 0 1 EIAF CC(C)(C)c1ccc(OC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 49111419 AUWQGNKAKYHFEN-SFHVURJKSA-N 325.408 4.388 0 1 EIAF Oc1ccc(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)cc1 66113996 HHMRCZQPBNEGMH-UHFFFAOYSA-N 329.318 4.015 0 1 EIAF C[C@H]1C[C@@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCc1ccoc1 73220101 XWKYXEIGWQYOCY-QHCBNBHTSA-N 332.440 4.047 0 1 EIAF Cc1cccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)c1 95573661 OPMMERRBAZTGHH-UHFFFAOYSA-N 346.430 4.459 0 1 EIAF C/C1=C/CC[C@@H](CO)CCC[C@@H](CO)CC[C@@H](C(C)(C)O)CC1 169606575 IMYZDXCIXGESSX-RODYLVPKSA-N 326.521 4.061 0 1 EIAF CC(C)(C)Nc1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205435840 QFJNYGFQEHEWTC-UHFFFAOYSA-N 339.370 4.345 0 1 EIAF COc1c(O)cc(CCC(=O)CCCCc2ccccc2)cc1O 210798168 BBWDATRBMFZKCL-UHFFFAOYSA-N 328.408 4.021 0 1 EIAF CC1=C[C@@H](Nc2ccccc2)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O 299820443 BLEFHFKQPDHEAA-QYBVWDHTSA-N 341.451 4.162 0 1 EIAF FC1(F)Oc2cc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 586884234 OYGGONNTOGKZIA-IJZKUYQOSA-N 332.350 4.352 0 1 EIAF CC[C@@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 586885753 ACZDNHUXYJWKML-PSLIRLAXSA-N 337.217 4.016 0 1 EIAF CCOCc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)o1 586903353 OWDNXHSHKXYVPA-UHFFFAOYSA-N 326.274 4.258 0 1 EIAF NC(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047738 BKGQAVDIKSSHDC-NXEZZACHSA-N 346.217 4.240 0 1 EIAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cncnc4[nH]3)c2)c1 587071559 NZWBCORMAGHDBZ-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF Fc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082942 ZGXFONTZZCODNI-UHFFFAOYSA-N 342.761 4.255 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(C(F)(F)F)c2[nH]1 587088521 OBTNIOMMAWOUCX-MRVPVSSYSA-N 331.288 4.331 0 1 EIAF Fc1cc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc(F)c1F 587138504 KSPONVWLJSLLGY-UHFFFAOYSA-N 346.139 4.467 0 1 EIAF COc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c(F)c1 587149319 QNUNCCGPYQELQN-UHFFFAOYSA-N 340.276 4.200 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587171773 SFNFZZRVYAQHRH-SECBINFHSA-N 342.399 4.180 0 1 EIAF O=C(O)c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242144 HRIQNKZDDFGROR-UHFFFAOYSA-N 345.358 4.377 0 1 EIAF CC[C@]1(c2ccccc2OC(F)F)CC(=O)c2cc(C)cc(N)c2O1 587382833 OUQPPWFNONPDCC-LJQANCHMSA-N 347.361 4.449 0 1 EIAF CC[C@@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402588 ZNQRPQLXHUUQGL-BFUOFWGJSA-N 325.408 4.461 0 1 EIAF COc1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504378 IWFNMVOGBSOGKB-LJQANCHMSA-N 326.367 4.420 0 1 EIAF O=C1C[C@H](c2cccc3c2OCCO3)Oc2c1ccc1c2CCCC1 587536023 QLMNNRAJSUXNHV-LJQANCHMSA-N 336.387 4.043 0 1 EIAF COc1ccc(C=O)c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c1OC 587786724 PRHNDMMLESYYOT-UHFFFAOYSA-N 338.407 4.357 0 1 EIAF C[C@H](O)CCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587834527 SBNHGKTZHXJYPE-XMZIXOGTSA-N 344.268 4.105 0 1 EIAF Cc1nc(C)c([C@]2(C)c3ccsc3CCN2Cc2cccn2C)o1 962396067 FAEVIHYGXNIHLW-IBGZPJMESA-N 341.480 4.013 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@]12CC(C)(C)OC2(C)C 962396413 GURZEMFZAJXXPR-HXUWFJFHSA-N 344.524 4.318 0 1 EIAF NC(=O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857595298 FZTJCXFXVTYDMA-UHFFFAOYSA-N 347.805 4.421 0 1 EIAF CCCN1CCc2cccc3c2[C@@H]1Cc1ccc2[nH]c(=N)sc2c1-3 1911585745 OGXZFBZWKSYKCH-INIZCTEOSA-N 335.476 4.241 0 1 EIAF Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1 114669 KWEHHERKCDYBLC-UHFFFAOYSA-N 349.411 4.011 0 1 EIAF Cc1nccn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 426688 LKZCCVKSYGBZAG-UHFFFAOYSA-N 338.720 4.310 0 1 EIAF CCCOc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1978645 VPLBCUKAMALZIT-UHFFFAOYSA-N 340.375 4.266 0 1 EIAF Cc1c(CCc2ccccc2)nc(SC2CCCCC2)[nH]c1=O 5891023 UQONKSBGUWCMPJ-UHFFFAOYSA-N 328.481 4.288 0 1 EIAF COc1c(O)c2c(c3c1CCOC3=O)CC[C@@H]1C(C)(C)CCC[C@]21C 13483219 QAIIXQJPXUSTBS-SZNDQCEHSA-N 344.451 4.144 0 1 EIAF biogenic O=C(Nc1cccnc1)N1CCc2cc(Cl)c(C(F)(F)F)cc21 13779432 PDBHPNFGDHQUIG-UHFFFAOYSA-N 341.720 4.348 0 1 EIAF O=c1c2ccccc2nc(-c2cccc(F)c2)n1CCc1ccccc1 22670425 IFUZDFZNLLYIGL-UHFFFAOYSA-N 344.389 4.445 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)C(F)(F)F 29559398 JKIHSRJVVBRFBB-QQCJEOGWSA-N 342.401 4.422 0 1 EIAF Cc1cc(C)c(C)c(O[P@](=O)(O)[C@H](N)CCc2ccccc2)c1 49071546 LDVPNWDYQLIKCA-SFHVURJKSA-N 333.368 4.094 0 1 EIAF CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(O)cc3)cc12 49072942 RVXSPZSIMZZCQR-UHFFFAOYSA-N 329.787 4.328 0 1 EIAF CCCCC[C@H](C)NCc1coc(-c2cc(C(C)=O)ccc2O)n1 72185260 KRBOCGLSNOBVGP-ZDUSSCGKSA-N 330.428 4.308 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)cc1 73161497 IHHBRIDBJDPDRX-UHFFFAOYSA-N 333.387 4.037 0 1 EIAF O=C(NCc1ccccc1)c1nc2c(-c3ccccc3)cccc2[nH]1 103268349 AIFHFYUGIKYJLC-UHFFFAOYSA-N 327.387 4.160 0 1 EIAF CC[C@@]1(C(=O)NCCc2cc(Cl)cs2)[C@@H](C)C1(Cl)Cl 103296639 UGXOFPYMLFHVFP-PELKAZGASA-N 340.703 4.280 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587133322 SVAURJVXGCZDJD-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF Fc1c(F)c(-c2nc3cc(Cl)ncc3[nH]2)c(F)c(F)c1S 587135098 SBYQZQRJFBJSSB-UHFFFAOYSA-N 333.697 4.123 0 1 EIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccnc3[nH]2)c1 587159180 LIFOXLVBYPEMMF-UHFFFAOYSA-N 333.366 4.363 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 587170686 DVTRIWNVFHFJBE-JTQLQIEISA-N 330.384 4.296 0 1 EIAF Cc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br 587176215 HTZDYMTXWIJBJG-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Fc1cncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587177125 QLXYPJPGNCQURB-UHFFFAOYSA-N 331.656 4.316 0 1 EIAF CC(C)(C)OC(=O)N1CC[C@](F)(c2cc3c4c(cccc4n2)CC3)C1 587210268 MBENUWOFFKSOID-HXUWFJFHSA-N 342.414 4.139 0 1 EIAF NCc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587246652 UCSWWDDUCFLJLJ-UHFFFAOYSA-N 325.721 4.361 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(C(F)(F)F)c1)O2 587381130 GMTLZNBNSZWTSM-QGZVFWFLSA-N 335.325 4.477 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(F)c(C)c4[nH]1)[C@@H](C2)C3=O 587426158 LWDACXRJNSHYBD-RBZFPXEDSA-N 337.350 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)ccc(F)c31)CC2=O 587471958 NGYMPLDXQGNOAZ-HXUWFJFHSA-N 344.357 4.430 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccnc3)c2c1 587644197 PLNZJTKSFZVBGV-LBPRGKRZSA-N 336.391 4.094 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C)c(F)c(C)c1 963613221 UPWBUIKVQGMXKE-ZUOKHONESA-N 329.415 4.083 0 1 EIAF Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2n1 1857547582 KSJVTZFWENNULL-UHFFFAOYSA-N 329.787 4.204 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@H](O)[C@H](Cc1ccc(O)cc1)NC 2356432974 RNCWKUCWPBNWOH-JWWGGVBKSA-N 333.516 4.292 0 1 EIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1cccc(SC)c1 2356861368 UICDRBFKZMYNMQ-YCPHGPKFSA-N 334.485 4.077 0 1 EIAF Cc1ccc(-c2cc(C(F)F)nc(NCc3cccnc3)n2)cc1 2460225 FHOQXIXVIMXNML-UHFFFAOYSA-N 326.350 4.397 0 3 EIAF CCCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 212203 PZLJPFQBEPZDCB-LJQANCHMSA-N 342.826 4.010 0 1 EIAF CCOc1ccc([C@@](C)(O)[C@H](CN2CCCC2)c2ccccc2)cc1 6811645 JGCLOCKWTQIIHT-FGZHOGPDSA-N 339.479 4.172 0 1 EIAF C[C@@](O)(C(=O)Nc1ccc(Sc2ccccc2)cc1)C(F)(F)F 27865645 OEPSLMLIMODFNR-OAHLLOKOSA-N 341.354 4.090 0 1 EIAF CC(C)(C)c1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 34637836 QGCKNIAMHUUUDI-GFCCVEGCSA-N 334.721 4.429 0 1 EIAF CC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3c(c21)CCO3 71317911 MMMAALHYEKMNHU-UHFFFAOYSA-N 339.479 4.428 0 1 EIAF in-vitro COC(=O)c1cc2c(o1)c1ccccc1n2Cc1ccccc1OC 96917745 WDCHIMXGJIIOIH-UHFFFAOYSA-N 335.359 4.231 0 1 EIAF COC1(OC)[C@]2(Cl)C3=CCCC=C3[C@]1(Cl)C(Cl)=C2Cl 102982987 ICEZQUPYTITPJE-RYUDHWBXSA-N 342.049 4.294 0 1 EIAF Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 103225044 ZBKITZYQNFJNIF-BWTSREIZSA-N 329.390 4.354 0 1 EIAF CC(C)=CCc1c(O)ccc2c(=O)c(-c3ccc(O)cc3O)coc12 103268575 ZXNZQHNHLFKSFZ-UHFFFAOYSA-N 338.359 4.086 0 1 EIAF Cc1cccc(Nc2sc(-c3ccc(F)cc3)cc2C(N)=O)n1 169311912 ACAOHWOPNZHWAF-UHFFFAOYSA-N 327.384 4.100 0 1 EIAF C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@@H]1C2(C)C 169323881 BVLMUEUIQIASQJ-YVNDNENWSA-N 326.362 4.296 0 1 EIAF COC(=O)c1cc2nc(C3CCC3)[nH]c2c(F)c1Nc1ccccc1 586883463 DCLMKNOJRJFDGC-UHFFFAOYSA-N 339.370 4.500 0 1 EIAF CCCC(=O)Nc1ccc(O)c(-c2cc3c4c(cccc4n2)CC3)c1 587213237 POUBQSQTEJMTLA-UHFFFAOYSA-N 332.403 4.445 0 1 EIAF Cc1ccc(CCc2nc3cccc(Br)c3[nH]2)cc1N 587249730 FEVVKJOCWONZKT-UHFFFAOYSA-N 330.229 4.001 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccc(Cl)cc13)O2 587378866 DZUYUXUGPPUGEE-KRWDZBQOSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(N)cc3)o1)O2 587388743 GIXBITZPRROXNI-IBGZPJMESA-N 334.375 4.126 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OC)c(C)c1C)[C@@H](C2)C3=O 587442789 LUFUGAOCJLRMQJ-HRAATJIYSA-N 338.403 4.118 0 1 EIAF COc1ccc2[nH]c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 587524193 KPGXLCWIDQJKMW-LJQANCHMSA-N 348.402 4.157 0 1 EIAF Cc1c(O)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612419 VFNMZRMBEDECBE-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF Cn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cn1 587629591 CVTIOBDIULJUIA-UHFFFAOYSA-N 345.683 4.106 0 1 EIAF CCCCC(=O)[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963002669 DAESVKIFUJEABR-IBGZPJMESA-N 328.481 4.176 0 1 EIAF CC(C)c1c(O)ccc2c1[C@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356495127 GMSLFNUEEZTQCO-HRYATBACSA-N 332.440 4.101 0 1 EIAF Cc1ccc(C2=NO[C@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 12726742 HQUKCCWBRVESLZ-FQEVSTJZSA-N 333.391 4.009 0 3 EIAF O=C(Nc1ccccc1)Nc1c(-c2ccc(F)cc2)nc2ncccn12 203466101 NVHCDRZBTLJPPR-UHFFFAOYSA-N 347.353 4.179 0 3 EIAF CCCN(CCC)c1nc(Cl)nc(N[C@H](C)c2ccccc2)n1 5833230 NHGKFNBFJGDLNM-CYBMUJFWSA-N 333.867 4.325 0 1 EIAF C[C@H]1CN(CC[C@@H](O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1 13833012 ZOGAVQIKTDOCJT-QKYXUNIQSA-N 345.508 4.177 0 1 EIAF COc1ccc2c(c1O)CCc1cc(O)c(C)c3c1[C@H]2CC(C)(C)O3 14724876 PXUNBQVWLWLIHU-HNNXBMFYSA-N 340.419 4.206 0 1 EIAF biogenic,in-vitro CCc1ccccc1Nc1ccc(=O)n(-c2ccccc2Cl)n1 14961516 KBABFGQMTVNGBH-UHFFFAOYSA-N 325.799 4.192 0 1 EIAF Cc1cc(N)c(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)c1 26391605 NBLJIXXVDVPGCW-UHFFFAOYSA-N 326.179 4.303 0 1 EIAF Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 40895934 LYAALYRAVCYXJH-GOSISDBHSA-N 348.490 4.405 0 1 EIAF CC(C)([C@H]1CS1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 87721927 RNMCKVPFRDEDQD-MRXNPFEDSA-N 334.462 4.147 0 1 EIAF C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1cccs1 100797042 NGDYJXMFCWASPD-PNHOKKKMSA-N 327.493 4.221 0 1 EIAF O=C1O[C@H](c2ccccn2)CC(O)=C1Sc1ccccc1Cl 299840089 UJEQTIFYTQPVTI-ZDUSSCGKSA-N 333.796 4.285 0 1 EIAF CCOC(=O)c1cc(Br)c2[nH]c(C3=CCCC3)nc2c1 586882957 DHPFBPJSPBDELP-UHFFFAOYSA-N 335.201 4.069 0 1 EIAF O=C1c2ccccc2-c2cc(Cc3ccncc3)nc3ccc(O)c1c23 586988846 XRANNQLSOVXBIA-UHFFFAOYSA-N 338.366 4.138 0 1 EIAF Fc1c(Cl)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1F 587033925 ACQJGEKICUFUOT-JTQLQIEISA-N 340.782 4.413 0 1 EIAF N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Cl 587057632 QCFPBXMVLBPYTI-LBPRGKRZSA-N 339.748 4.478 0 1 EIAF N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl 587058618 XZSGXHPNUXAJBT-SNVBAGLBSA-N 341.629 4.161 0 1 EIAF COc1cc(C)c(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587374714 JETKYTIJEHVHDK-IBGZPJMESA-N 345.826 4.428 0 1 EIAF COc1cccc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587412164 MFVXQHFGKMQYMJ-HXUWFJFHSA-N 337.375 4.213 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1C)CC2=O 587461285 LXDJEXSSZMAZBK-INIZCTEOSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccn1)CC2=O 587470116 IGJJNXLMNYSQJV-LJQANCHMSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(O)cc1)CC2=O 587482024 OBYXQBIVYILIPI-HXUWFJFHSA-N 326.392 4.017 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 587787036 UFFJZKXROGDRLV-KBPBESRZSA-N 340.810 4.468 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H]2C3(C)C)N1 587829066 QKXOOUSKGPKDEH-IXFPXVLDSA-N 338.264 4.384 0 1 EIAF COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)CC2 587937079 HPRBXRHJDBNQLT-LLVKDONJSA-N 347.340 4.258 0 1 EIAF O=C(O)[C@H]1CNCC[C@H]1CC/C=C/c1ccccc1Cc1ccccc1 653717919 YFYGYDHZHRTTIK-ANKGJMGLSA-N 349.474 4.381 0 1 EIAF Cc1ccnc2c1CCN[C@]2(c1cccc(C(F)(F)F)c1)C1CC1 963065430 DOGWWFLUUSUKEK-SFHVURJKSA-N 332.369 4.208 0 1 EIAF CSCCn1cc(-c2cccc(C(N)=S)c2)c2ccccc21 1857594522 IAMLYIIAUFEICP-UHFFFAOYSA-N 326.490 4.306 0 1 EIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC(=O)O)CC[C@H]12 2356708400 OMIRDMKISVBCGX-HSJATWPUSA-N 334.500 4.481 0 1 EIAF Cc1noc(C)c1-c1nc(N(C)Cc2ccco2)c2ccccc2n1 4264514 WHKUIXXXHLWMPL-UHFFFAOYSA-N 334.379 4.131 0 1 EIAF Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 9692038 ORWBGBAPILBMJS-DLBZAZTESA-N 325.387 4.081 0 1 EIAF Cc1c([C@@H](C)NCc2ccc(O)c(Cl)c2)cnn1-c1ccccc1 12588200 MAXKQXTVXCBBFU-CYBMUJFWSA-N 341.842 4.391 0 1 EIAF O=C(O)C[C@H]1CCCc2c1n(Cc1cccnc1)c1ccc(F)cc21 28109133 CTTXJPIPQATLAA-CQSZACIVSA-N 338.382 4.118 0 1 EIAF Oc1cc(C(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 66122772 JJITYLGAGHKVRQ-UHFFFAOYSA-N 329.228 4.058 0 1 EIAF Cc1ccc([C@@H](O)c2ncc(-c3ccccc3C(F)(F)F)[nH]2)cc1 82084108 SAWNXVLKBMGJBT-MRXNPFEDSA-N 332.325 4.486 0 1 EIAF O=C(CCc1ccccc1)N[C@H]1CC[C@H](c2ccc(O)c(F)c2)CC1 101099617 SEQPRQVDYIFAIS-MAEOIBBWSA-N 341.426 4.307 0 1 EIAF O=Cc1ccc(OCc2occc2-c2nc3ccc(F)cc3[nH]2)cc1 586901715 ZCSZOKKZKUZNNE-UHFFFAOYSA-N 336.322 4.354 0 1 EIAF FC(F)COc1cccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)n1 587123115 HUZCMUFSTDZQTF-UHFFFAOYSA-N 343.255 4.288 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(CCCO1)C3 587208923 GEIXJOCRILXXDK-HSZRJFAPSA-N 341.410 4.484 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587242212 JERWKKFJQCAKFA-UHFFFAOYSA-N 349.312 4.011 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4nc(C)sc4c1)[C@@H](C2)C3=O 587449354 ACQSTKSUGRBNDQ-ORAYPTAESA-N 337.400 4.102 0 1 EIAF C[C@@]1(CC(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510931 HTLGDPHYYPUQJQ-QFIPXVFZSA-N 349.430 4.318 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2F 587567585 FCNIGXNKMSUFRE-BXWFABGCSA-N 328.339 4.005 0 1 EIAF Cc1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656675 KKWLZOUEXXQMHI-UHFFFAOYSA-N 349.340 4.034 0 1 EIAF COc1ccc(C=O)cc1-c1nc2ccc(Br)c(C)c2[nH]1 587788184 ZBFQRYRMOSMNQZ-UHFFFAOYSA-N 345.196 4.122 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CC(=O)N1CCCCCC1 963236215 SSACJIDRGSASQZ-XMSQKQJNSA-N 342.527 4.351 0 1 EIAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CCc2nc3ccccc3n21 206053116 JKJOHEZMBBDUHP-QFIPXVFZSA-N 341.414 4.490 0 3 EIAF O=C1[C@H](c2ccccc2)N(c2ccccc2)C(=O)N1c1ccccc1 13680123 YEGAYNNVHYHYEO-IBGZPJMESA-N 328.371 4.401 0 1 EIAF in-vivo Cc1cc(C)c2nc(C3(c4ccccc4)CC3)c(O)c(C(=O)O)c2c1 58569282 XMKCHVVGHGMMSX-UHFFFAOYSA-N 333.387 4.335 0 1 EIAF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3Cl)C2)cc1 58603243 WBIYJTYWWQSTGB-SFHVURJKSA-N 328.799 4.046 0 1 EIAF C1=C(/C=C/c2ccccc2)CCN(CCc2c[nH]c3ncccc23)C1 95607571 XVYIADYYFNGCJZ-CMDGGOBGSA-N 329.447 4.451 0 1 EIAF C/C(=C/C(=O)O[C@H](C)c1ccccc1)OP1(=O)O[C@@H](C)[C@@H](C)O1 169290890 PAQDNXSEENNJQV-YMRMWEEUSA-N 340.312 4.143 0 1 EIAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2cc(F)cc(F)c2)n1 203007482 DTTRXXATVLGGJL-UHFFFAOYSA-N 342.353 4.151 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586886101 ZRTFOONIKHHUDD-PXDYOCJYSA-N 346.272 4.497 0 1 EIAF CC1(C)COc2c(-c3nc4ccc(Br)nc4[nH]3)cccc21 586912035 ORSIPDKTNAXRKJ-UHFFFAOYSA-N 344.212 4.057 0 1 EIAF CCc1ccc(-c2nc(-c3nc4ccc(OC)nc4[nH]3)cs2)cc1 587015481 FGLUVSPKJLEZNC-UHFFFAOYSA-N 336.420 4.319 0 1 EIAF Clc1ccc(C2=C[C@H](c3nc4ccc5ncccc5c4[nH]3)ON2)cc1 587077295 UXUMNNHVXCMOLV-QGZVFWFLSA-N 348.793 4.382 0 1 EIAF CC(C)(C)OC(=O)N1CCC[C@H](c2cc3c4c(cccc4n2)CC3)C1 587213608 XZKGFBRINUOURV-INIZCTEOSA-N 338.451 4.448 0 1 EIAF COc1c(C)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587400185 OZWFURADSWHTTI-FQEVSTJZSA-N 325.408 4.083 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCN(C(CC)CC)CC1)CC2=O 587474851 HUUDYAQOLPNOCY-UHFFFAOYSA-N 345.483 4.333 0 1 EIAF O=C1C[C@@]2(CCCC[C@H]2c2cncnc2)Oc2c1ccc1c2CCCC1 587516651 ZCAMBQJGRNZFHT-SIKLNZKXSA-N 348.446 4.417 0 1 EIAF CN1CCOc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518366 GTODFVUVDAVFIA-FQEVSTJZSA-N 349.430 4.101 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771450 LRMANUDOJUGTTR-PIGZYNQJSA-N 349.247 4.224 0 1 EIAF COc1ccc(/C=C\Cc2nc3cc(OC)c(C)cc3[nH]2)c(OC)c1 587929629 OEROQHSQJQKVKY-WAYWQWQTSA-N 338.407 4.153 0 1 EIAF Fc1cccn2cc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)nc12 963105445 JKDLKCURFGTELY-OAHLLOKOSA-N 336.197 4.015 0 1 EIAF CC(=O)c1cccc(-c2cnc3ccc(-c4ccc(F)cc4)nn23)c1 1857593226 LABMWGVUJMJSMF-UHFFFAOYSA-N 331.350 4.405 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@@H]5[C@H](C[C@H]32)[C@]5(CO)C4)C1(C)C 2356432214 UBTQUINDRHFXPQ-NHTKNECVSA-N 346.511 4.179 0 1 EIAF Clc1ccccc1-c1nc2c(NCc3ccccn3)nccc2[nH]1 74386450 JBIPXVAFFGMLQQ-UHFFFAOYSA-N 335.798 4.285 0 3 EIAF COCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610556 GIXURDKZPGQBPX-USUWBSJTSA-N 344.495 4.262 0 1 EIAF S=C(NCCCn1ccnc1)C1(c2ccc(Cl)cc2)CCCC1 13679648 BGLOWEJADLYGOQ-UHFFFAOYSA-N 347.915 4.356 0 1 EIAF Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)c1 28641817 ZIPOUVFKEPVZER-UHFFFAOYSA-N 340.858 4.293 0 1 EIAF Clc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 28642194 KCHJGCRFBMOASW-GOSISDBHSA-N 340.858 4.293 0 1 EIAF COc1ccc(C(=O)CCC2CCCCC2)cc1O[C@H]1CCOC1 40846544 HKRINOXVCHQASS-KRWDZBQOSA-N 332.440 4.406 0 1 EIAF CC(C)N(C)C(=O)[C@@H]1CCCc2c1c1cc(F)ccc1n2CCF 82148998 IBRITHGUQFANGS-CQSZACIVSA-N 334.410 4.037 0 1 EIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(C(F)(F)F)cc1 117724280 XNCRFWWDCPFRLZ-AWEZNQCLSA-N 334.341 4.035 0 1 EIAF CN1C=C(C(=O)N2CCCCC2)C=C/C1=C/C=C1\C=Nc2ccccc21 334159018 RBGGXWZHTJIADV-QOHRFTQFSA-N 345.446 4.068 0 1 EIAF Fc1c(F)c(F)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1F 586883699 DAMFSJIKJVKPDQ-MLCYQJTMSA-N 332.300 4.491 0 1 EIAF COC(=O)c1cccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586897324 AQHCCRZTOBSGDE-UHFFFAOYSA-N 344.370 4.389 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586911880 MUJFUNAKWOVLNL-KCJUWKMLSA-N 349.303 4.285 0 1 EIAF CC(C)CCOc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br 586918526 NMKMNXDUPZYWQS-LKFCYVNXSA-N 339.233 4.210 0 1 EIAF Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1C 586985077 YIYHBQGMNLKLRW-AWEZNQCLSA-N 344.256 4.185 0 1 EIAF Cc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1F 586996836 ZYQZIJRVXVQGHC-UHFFFAOYSA-N 348.219 4.428 0 1 EIAF Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C=O 587104235 FOASJZMVGZKVDH-UHFFFAOYSA-N 338.366 4.264 0 1 EIAF Cc1cc(Cl)cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174474 JNPUVAIXTKUPGS-CQSZACIVSA-N 342.805 4.388 0 1 EIAF CC(C)[C@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197606 KDZMVQVRUVAHDN-GFCCVEGCSA-N 338.839 4.175 0 1 EIAF COc1cc(Cl)cc(F)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587382649 SWHFFQKOTGLWGM-OAHLLOKOSA-N 335.762 4.085 0 1 EIAF CCCC[C@@]1(CCCCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587409449 UORCPIOUTAIZBR-LJQANCHMSA-N 333.428 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CCCN(CC)CC)CC2=O 587469269 MMPURMYGBZQHFA-FQEVSTJZSA-N 333.472 4.191 0 1 EIAF CCCCn1nccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587482391 ZVAZPSZWWKMGBQ-GOSISDBHSA-N 328.412 4.048 0 1 EIAF CCCCc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cn1 587490091 OKYMJOQUBRTUPE-SFHVURJKSA-N 340.423 4.184 0 1 EIAF CC1(C)[C@@]2(N)CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587507992 FBAKJOJQXWTGFT-VSKRKVRLSA-N 339.479 4.197 0 1 EIAF O=C1C[C@H](c2ccc(F)c(O)c2F)Oc2c1ccc1c2CCCC1 587509894 YCNZMXBDPAIMCR-MRXNPFEDSA-N 330.330 4.256 0 1 EIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1O 587526420 SRVGFPHYLWODDX-NRFANRHFSA-N 338.403 4.160 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)ccnc2[nH]1 587934297 IXRFWNCLNZNQRJ-UHFFFAOYSA-N 325.799 4.192 0 1 EIAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(I)cc2[nH]1 587968354 ZPRUCEKFVHXEFQ-MWLCHTKSSA-N 338.192 4.237 0 1 EIAF Cc1cccc(-n2ncc3c(N[C@@H]4C[C@@H]4c4ccccc4)ncnc32)c1 621477845 PNPSBMPJCCVVSA-IEBWSBKVSA-N 341.418 4.092 0 1 EIAF O=C(O)c1n[nH]c2cc(F)c(-c3ccc(-c4ccccc4O)cc3)cc12 1772631227 PPTIMZMDHHRBIW-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)[C@H](F)CNC2 1857617739 WRLYKBHUXDAOMF-SECBINFHSA-N 347.440 4.097 0 1 EIAF COc1c(O)cccc1[C@@H]1O[C@H](c2cccc3c2OCO3)[C@H](C)[C@@H]1C 2356455269 MMWHIYBZMMYTSK-MIFHMHLRSA-N 342.391 4.214 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@@H](C)[C@]21C 2356741853 WXXUTDJJIXJPLZ-WMTXDGDDSA-N 330.424 4.316 0 1 EIAF CC(=O)c1ccc(O[C@@]2(C)CCN(Cc3cc4ccccc4[nH]3)C2)cc1 61927090 RGLCRTHQVCGETR-QFIPXVFZSA-N 348.446 4.414 0 3 EIAF O=C1C[C@H](C2CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27087655 JLGOQHUROPCZMO-GFCCVEGCSA-N 345.826 4.218 0 1 EIAF COc1ccc(-c2ccc(C(N)=O)cc2Cl)cc1OC1CCCC1 27862121 DTHMHEJIVDCRND-UHFFFAOYSA-N 345.826 4.436 0 1 EIAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2csc3ccccc23)C1 28653705 UCULHQQEFFKDQC-RTBURBONSA-N 343.492 4.046 0 1 EIAF COc1cccc2c1-c1ccc3[nH]c(=O)cc(C(F)(F)F)c3c1OC2 29042796 ZXSGLSUAYLGASU-UHFFFAOYSA-N 347.292 4.115 0 1 EIAF CCOc1cc2c(cc1O)CCC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 33997148 YKWFKECYXRUOES-XQHFJLGDSA-N 330.468 4.398 0 1 EIAF Brc1ccc(C2=NCCCN=C2c2ccccc2)cc1 40423458 GSGRNNFFYMRSGU-UHFFFAOYSA-N 327.225 4.131 0 1 EIAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NS(=O)(=O)O 45354978 WXAAVVXCTXEGJT-NCZFFCEISA-N 343.489 4.105 0 1 EIAF c1ccc(OCc2nnc(NC3CCCC3)n2-c2ccccc2)cc1 95595143 JBKQYDFMLREVSW-UHFFFAOYSA-N 334.423 4.201 0 1 EIAF Cc1ccn(C[C@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1 101985060 SOSAAAUSVCKKRE-ZWKOTPCHSA-N 335.278 4.425 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(C)cc1 103523746 AZUWFBLOJBUFHR-CQGUWYRNSA-N 343.423 4.196 0 1 EIAF Oc1c(Br)ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587043593 SIUMBFLQRDXOSQ-LBPRGKRZSA-N 347.237 4.421 0 1 EIAF Nc1c(F)cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1F 587134542 IXJZIFOLLFYPLW-UHFFFAOYSA-N 349.340 4.321 0 1 EIAF Nc1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cnc2c(F)cccc12 587176509 NZDQBFBPXDWBFG-UHFFFAOYSA-N 348.168 4.201 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587176635 YEWVIRPNDSECKJ-UHFFFAOYSA-N 331.565 4.043 0 1 EIAF O=C(/C=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1ccccc1 587243594 HASFIPUIKWLULH-VOTSOKGWSA-N 349.287 4.373 0 1 EIAF COc1cccc2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527179 VQMUDGWCIDPWNE-JOCHJYFZSA-N 334.415 4.381 0 1 EIAF Clc1cc2nc(COC/C=C/c3ccccc3)[nH]c2c(Cl)n1 587780836 JVDNUJOSECVIHX-QPJJXVBHSA-N 334.206 4.495 0 1 EIAF O=C(O)c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1F 587968476 TXEMXGSSMFPBGR-UHFFFAOYSA-N 326.371 4.240 0 1 EIAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)NCCc2cc(C)c(F)cc21 962295281 DCHUPXQPAOORPN-OAQYLSRUSA-N 338.426 4.131 0 1 EIAF Cc1ccc([C@]2(C3CCCC3)NCCc3c2c(C(C)C)nn3C)cc1 962914331 SRDBDLWRZLEYHK-QFIPXVFZSA-N 337.511 4.431 0 1 EIAF CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@@H]1CC[C@@H](C)CC(=O)O)[C@@H]23 2356636163 XJCVTENZYOPEPX-SXVIEYTHSA-N 334.456 4.192 0 1 EIAF COC[C@@H](CC=Cc1ccc(O)cc1)[C@H](OC)c1ccc(O)cc1 2356681322 PYPQUQKGAGXEHZ-YLJYHZDGSA-N 328.408 4.151 0 1 EIAF O=CNc1cc(-c2cccc(O)c2)cn2c(-c3ccc(F)cc3)cnc12 61904890 HDKYUOVZSMSSSE-UHFFFAOYSA-N 347.349 4.081 0 3 EIAF Cc1nc2ccccc2n1[C@H](c1cccnc1)c1nc2ccccc2[nH]1 95598868 IHHUOCNDKRMZIU-HXUWFJFHSA-N 339.402 4.254 0 3 EIAF O=C(NCCSCc1c(F)cccc1Cl)c1cccs1 3046686 TWXORKQMPPBRQU-UHFFFAOYSA-N 329.849 4.204 0 1 EIAF CC(C)Oc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5732939 BWTGOMPFSKXALJ-PVHGPHFFSA-N 330.468 4.396 0 1 EIAF COc1cc2nc(Nc3c(C)cccc3C)c3cncn3c2cc1OC 13860296 UNJOVIPWUQMELQ-UHFFFAOYSA-N 348.406 4.260 0 1 EIAF CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2ccccn2)C1 15075047 JVADTGNGCCZQCV-IBGZPJMESA-N 332.451 4.071 0 1 EIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccccc1 21981277 YGODTRTXGSNAQE-CQGUWYRNSA-N 343.423 4.134 0 1 EIAF COC(=O)/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)OC 29337671 VUONTIGZNJVBHV-ORRXZRLISA-N 326.179 4.191 0 1 EIAF CC(=O)N1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 29571638 WFVLNIHBLHNNAK-XNTDXEJSSA-N 343.467 4.149 0 1 EIAF CCCC/C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC 58650033 OJEFVGFDNJBOHB-ZRDIBKRKSA-N 338.411 4.127 0 1 EIAF in-vitro COc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCC1 64746279 RJRXPZBHZMZHQM-NRFANRHFSA-N 337.419 4.138 0 1 EIAF COc1ccccc1CNc1cc(-c2ccc(F)c(F)c2)ncn1 82161744 MSWOPDWVJOVTSW-UHFFFAOYSA-N 327.334 4.043 0 1 EIAF Cc1c2c(c(C)n1-c1ccc(Cl)cc1)[C@](C)(C(N)=O)CC2(C)C 138396296 YFWYSESREXRBLI-LJQANCHMSA-N 330.859 4.172 0 1 EIAF C[C@H]1CC[C@@H](C)N1C[C@@H](O)COC(c1ccccc1)c1ccccc1 169301316 PASGDOWIXPAUQU-LVCYWYKZSA-N 339.479 4.026 0 1 EIAF COc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1 169348319 FMGSFLKZABQPAO-UHFFFAOYSA-N 337.375 4.133 0 1 EIAF CN(CCc1ccccc1)C(=O)c1csc2c1CCC[C@H]2N=O 169728457 POWVHOAMNCIOMI-MRXNPFEDSA-N 328.437 4.207 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586885411 BJMJLFINKUBSED-OTYXRUKQSA-N 336.222 4.410 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)c(F)cc3[nH]1)C2 586888114 WHQKCTVRDPPMBV-LPEHRKFASA-N 349.203 4.103 0 1 EIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(=N)[nH]ccc4[nH]3)c21 587031431 RVICJMIMQFHZRV-NSHDSACASA-N 349.463 4.329 0 1 EIAF COc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Cl 587115672 WAQXGKCLUXJGBM-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2c1 587169170 UYKCQPCPGMYYAS-SECBINFHSA-N 348.761 4.282 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587242679 ZDYLTIIFCJPKQQ-UHFFFAOYSA-N 333.395 4.091 0 1 EIAF O=C(c1coc2ccc(Cl)cc12)[C@@H]1CC(=O)N(c2ccccc2)C1 587278180 IEMIHQQTSYTKKU-GFCCVEGCSA-N 339.778 4.322 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(-c3ccccc3)noc1C)O2 587395284 PMWODCVSGIAXJN-NRFANRHFSA-N 348.402 4.421 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)cn1)CC2=O 587468707 AINDJIUOLRYOAB-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF COc1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2n1 587785448 AAKFTEPVFBSCGG-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF CCSCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587845066 MODAWDABWJDJAV-BXKDBHETSA-N 332.282 4.307 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)c1 587931476 JLPHGIWEIGIGDT-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF CCC[C@]1([C@@H](CC)C(=O)OC)c2cc(OC)ccc2CCN1C(C)C 962094815 XQVASTKSNMQWQE-RXVVDRJESA-N 347.499 4.156 0 1 EIAF CC(C)Cc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)s1 963022183 ICJPFKWMLUVREG-XCLFUZPHSA-N 340.492 4.089 0 1 EIAF CN(C)c1ccc(-c2ccc3nc(O)nc(-c4ccccc4)c3c2)cn1 1772656489 DNHNXLXOGNWKIG-UHFFFAOYSA-N 342.402 4.130 0 1 EIAF Clc1c[nH]nc1-c1nc(-c2ccc(OC3CCCC3)cc2)no1 1857608218 TXGKADIUBVGBAF-UHFFFAOYSA-N 330.775 4.102 0 1 EIAF COC(=O)c1c[nH]c(=S)n1C(C)(C)c1ccc(Cl)c(Cl)c1 28346186 WDFQVAMDEATQMU-UHFFFAOYSA-N 345.251 4.422 0 1 EIAF COc1ccc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)cc1 28713247 BXHLUMGYFXQZGU-KSVHXXFXSA-N 343.492 4.318 0 1 EIAF Cc1c(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]c1=O 34820512 ROMCAYZHJKGTLM-UHFFFAOYSA-N 344.386 4.099 0 1 EIAF COc1cc2c(c3c1C(C)(C)[C@@H](C)O3)C(=O)C[C@H](c1ccccc1)O2 49070402 OOMCQCKTKDWACK-IUODEOHRSA-N 338.403 4.460 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@@H](CC[C@H]12)C3 103110015 HCXQUFPQHLFUCK-WEEZVYGMSA-N 334.500 4.181 0 1 EIAF CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCCO 143595073 YFXSGYVMBQHZCY-QBMUGXQSSA-N 332.440 4.409 0 1 EIAF C[C@]12CC[C@H]3[C@H]4Cc5cc(C=O)oc5C[C@@H]4CC[C@H]3[C@H]1CC[C@@H]2O 169320648 YEOOFMLWOGDHOL-NEDYGDLUSA-N 328.452 4.020 0 1 EIAF O=c1oc2ccc(Cl)cc2n1CN1CCCC[C@H]1c1ccccc1 169341757 WSXHAYCPQWYXIH-INIZCTEOSA-N 342.826 4.433 0 1 EIAF C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C\C=C/C(=O)O 238787740 KNDPLJZJPQWOMQ-BEAWWWAWSA-N 330.468 4.365 0 1 EIAF CN(Cc1ccccc1)C[C@@H](O)[C@H](c1ccccc1)c1ccc(F)cc1 299846568 FKZDTLIZCQLJNS-DHIUTWEWSA-N 349.449 4.451 0 1 EIAF COc1ccc(CNC(=O)c2ccccc2-c2ccc(F)cc2)cc1 299857162 CROSYNJRUCNCQZ-UHFFFAOYSA-N 335.378 4.431 0 1 EIAF Fc1c(F)c(F)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1F 586883702 DAMFSJIKJVKPDQ-YPMLDQLKSA-N 332.300 4.491 0 1 EIAF O=C(O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023084 DKKCRDLKZOCOOW-UHFFFAOYSA-N 327.390 4.113 0 1 EIAF COc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Cl)c1O 587046411 SLQSQFXBLWFREU-UHFFFAOYSA-N 328.677 4.015 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 587069385 JJGYYJBBIDMICV-JTQLQIEISA-N 342.782 4.291 0 1 EIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(F)c2[nH]1 587078785 BFUBNAOXEYBSNR-CYBMUJFWSA-N 328.778 4.079 0 1 EIAF CCOc1cc(/C=C/c2nc3c(C)nccc3[nH]2)ccc1OC(F)F 587130958 RUHYCVRLHCFHLK-FNORWQNLSA-N 345.349 4.437 0 1 EIAF CC(C)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587258952 NJZLOFHDVLERJP-VIFPVBQESA-N 336.155 4.000 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cc(Cl)cc1Cl)O2 587375772 OURITIHATNYIQZ-AWEZNQCLSA-N 338.190 4.296 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587428009 LDLMEBYHHNEJQO-LIRRHRJNSA-N 346.785 4.237 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4ccccc4cc1OC)[C@@H](C2)C3=O 587444253 SUQNQWHYAOVYJA-HTAPYJJXSA-N 346.382 4.346 0 1 EIAF C[C@@]1(c2cccc(O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507243 VCFRQPAQBMDQHW-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF COc1ccc(O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524887 NHCAQQGCKCTEOQ-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C1CC1 587574926 CUIJNMKSCHLAED-NQIIRXRSSA-N 347.370 4.232 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1Cc1c(Cl)cccc1Cl 587650743 CKRAIXXXEHWXMM-UHFFFAOYSA-N 339.609 4.405 0 1 EIAF COc1ccc(CCCc2nc3cc(F)c(F)cc3[nH]2)cc1OC 587926413 YXHAMWLAWJGQCU-UHFFFAOYSA-N 332.350 4.034 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587934745 FQEPXIOQOYMGCI-XCLFUZPHSA-N 347.418 4.265 0 1 EIAF CCCc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)s1 963607765 KDVGEIHXSWRNLK-BLVKFPJESA-N 331.481 4.341 0 1 EIAF Cc1nc2c(nnn2-c2ccccc2)c2nc(-c3ccccc3)ccc12 1857534502 MPMJOLMWFNZYEM-UHFFFAOYSA-N 337.386 4.339 0 1 EIAF C[C@@H]1C[C@H](Cc2ccccc2)[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31C2(C)C 2356365677 PYLONMJJKDMLCG-JAGNTYMBSA-N 340.463 4.063 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CC=CCCCC(=O)O 2356455669 CTHZICXYLKQMKI-FGTMMUONSA-N 336.472 4.280 0 1 EIAF O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1 193099 DKOIDEGVAHPXJD-UHFFFAOYSA-N 349.626 4.367 0 1 EIAF N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3ccc(-c4ccccc4)cc3[C@@H]21 27442755 SGGAMCSSHSTAJH-CUWPLCDZSA-N 348.446 4.031 0 1 EIAF Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccc2ccccc2n1)CC3 29485885 VYCDZWLMYZWLMJ-UHFFFAOYSA-N 345.421 4.456 0 1 EIAF O=C(CCc1ccccc1)c1ccccc1OCCN1CCCCC1 40584974 YBJIQCZPGDJICM-UHFFFAOYSA-N 337.463 4.367 0 1 EIAF CCOc1ccc(Cc2nc3cc(NC)ccc3n2CC2CC2)cc1 40867255 GNVSRVYLFPLWQP-UHFFFAOYSA-N 335.451 4.478 0 1 EIAF Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F 42966909 ABRIKSFMLSHUJV-CVEARBPZSA-N 348.441 4.262 0 1 EIAF O=C([C@@H]1CCCc2c1c1ccccc1n2CCF)N1CCCCC1 73197029 MCKAREGHLPTICA-MRXNPFEDSA-N 328.431 4.043 0 1 EIAF CN(Cc1nnc(-c2cccs2)o1)Cc1c(F)cccc1Cl 78295969 BIFIBXWEVHYZAA-UHFFFAOYSA-N 337.807 4.223 0 1 EIAF CCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC 95564181 PDOKXHZQWAITKZ-AWEZNQCLSA-N 328.412 4.367 0 1 EIAF CCCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C 103252400 VGUKOKATWNDEOI-IFLJBQAJSA-N 343.511 4.307 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 169323453 YUEVEZWXYBGVTF-ZJFPXFAJSA-N 345.527 4.301 0 1 EIAF CN(C(=O)c1cc(-c2cccc(O)c2)cs1)c1cccc(O)c1 169351566 YNSUZUZCWDARLN-UHFFFAOYSA-N 325.389 4.103 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C/c1ccccc1)C2 169354967 ODBOCRLDKFDGTG-MFJXPXGESA-N 336.431 4.046 0 1 EIAF Clc1cccc(-c2cc(-c3ccc([C@H]4CNCCO4)cc3)[nH]n2)c1 205114484 JPGSEKHIYXAINC-LJQANCHMSA-N 339.826 4.058 0 1 EIAF CC(=O)O[C@@H]1C[C@@]2(C)C[C@H]3C[C@@]3(C)[C@@H](O)[C@@H]2[C@@H]2[C@H](C(C)C)CC[C@@]21C 238732866 FGLRSMNBNHZFPG-KQPZZLDSSA-N 348.527 4.424 0 1 EIAF CC(=O)O[C@H]1C=C2CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]3[C@@]2(C)CC1 255254000 OJXGRUAWXGFZAO-MIBLLKTRSA-N 330.468 4.450 0 1 EIAF O=C(O)c1cc(Br)cc2nc(-c3ccoc3C3CC3)[nH]c12 586902301 XXQAFLADIXMGNM-UHFFFAOYSA-N 347.168 4.161 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586911882 MUJFUNAKWOVLNL-KWQFWETISA-N 349.303 4.285 0 1 EIAF Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1F 586983370 BJOJDZLKPWGMAK-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF Cc1n[nH]cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097538 QJAXIWVZWKVWHP-UHFFFAOYSA-N 325.371 4.453 0 1 EIAF CCOc1cc(/C=C/c2nc3cc(C)cnc3[nH]2)ccc1OC(F)F 587130332 KVMXNSNLCZPKBG-FNORWQNLSA-N 345.349 4.437 0 1 EIAF COc1c(F)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1F 587134754 MOCDMUAOOBHRNM-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF Cc1cc(Br)c(-c2nc3ccnc(Cl)c3[nH]2)cc1F 587137762 KDEIIQOCAGGNNR-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358870 YVIVSGSXISNVLC-QUCCMNQESA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1F)O2 587381144 GSWJOPLAUFINQQ-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC(C)C)CN(C)C)CC2=O 587468244 IZAUTONAYTVDCE-YCRPNKLZSA-N 347.499 4.293 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@@H]1CCOC1)CC2=O 587486709 MKGSUFUWTJILCT-DAESXHAQSA-N 344.451 4.275 0 1 EIAF Cc1cccn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 587516077 UMXGPYNIPBDILB-LJQANCHMSA-N 332.403 4.228 0 1 EIAF O=C1C[C@@H](c2cc(-c3cccnc3)[nH]n2)Oc2c1ccc1c2CCCC1 587528422 ZJSNVQIRPGNSJS-FQEVSTJZSA-N 345.402 4.057 0 1 EIAF CCc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587768972 FJXKFIPUNHXGNQ-QGHHPUGFSA-N 349.247 4.169 0 1 EIAF Cc1cccc(C)c1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874258 ZOGLMAIVGQMNIO-UHFFFAOYSA-N 338.338 4.131 0 1 EIAF CC1(C)CN[C@@H](c2ccc(C(F)F)cc2)c2cc3c(cc21)OCO3 963389833 CXROBOQGZUWHRA-KRWDZBQOSA-N 331.362 4.323 0 1 EIAF O=C(CCCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1 2356562525 VBHDFZGBKBFFDM-UHFFFAOYSA-N 329.440 4.392 0 1 EIAF CCC(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](OC(C)=O)[C@@H](C)[C@]21C 15221030 JBUJFKRPTLTIIY-OXUBRWNRSA-N 346.423 4.043 0 1 EIAF biogenic CCCN(CC1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1 26936732 SRAVLTDSNYABIP-UHFFFAOYSA-N 339.270 4.415 0 1 EIAF COc1cc(Sc2c[nH]c3ccc(O)cc23)cc(OC)c1OC 28651341 NAMFTVBDVDFXDG-UHFFFAOYSA-N 331.393 4.051 0 1 EIAF Nc1nc(N)c2c(Cl)c(Sc3ccccc3Cl)ccc2n1 32287320 WEYFFSHTCHBZGN-UHFFFAOYSA-N 337.235 4.252 0 1 EIAF O=C([C@H]1Oc2ccccc2[C@H]1CCc1ccccc1)N1CCCCC1 40584910 LHEBGDMFEHYIPS-CTNGQTDRSA-N 335.447 4.177 0 1 EIAF CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 40980543 WXGDNZKWKCUUGV-UHFFFAOYSA-N 339.443 4.017 0 1 EIAF CCCC/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC 45392109 OJEFVGFDNJBOHB-BENRWUELSA-N 338.411 4.127 0 1 EIAF COc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCC1 64746277 RJRXPZBHZMZHQM-OAQYLSRUSA-N 337.419 4.138 0 1 EIAF Cc1ccc(Sc2nnc(NC(=O)c3ccccc3)s2)cc1 103272503 FGJDOJUQBWCVMC-UHFFFAOYSA-N 327.434 4.250 0 1 EIAF Cc1c(/C=C/CCNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O 169716750 FDEXEAHEZCAIGU-VQHVLOKHSA-N 343.423 4.487 0 1 EIAF COc1cc(OC)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 205918189 GCVHDBIQRZNRCE-QMMMGPOBSA-N 347.371 4.252 0 1 EIAF COc1c(C(C)C)cc(C=O)c2c1O[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C 238778747 KSLAMLCCQWCCLH-QKNQBKEWSA-N 346.467 4.426 0 1 EIAF O[C@H]1C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc21 586904463 UHOBSYSLSLDSJX-DOMZBBRYSA-N 334.297 4.031 0 1 EIAF CC[C@]1(c2cc(F)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422857 GEIJWTJSHFZZJT-AUUYWEPGSA-N 330.330 4.026 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1SC)[C@@H](C2)C3=O 587453403 SDIKKNNKJCNHFF-LIRRHRJNSA-N 326.417 4.080 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)o1)[C@@H](C2)C3=O 587455652 PBDYODQWHXFRNP-BTYIYWSLSA-N 332.355 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1N)CC2=O 587462243 OCOYMXGAQWPUEF-IBGZPJMESA-N 345.826 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)cc1F)CC2=O 587466988 OXUVBUASBBDKCI-LJQANCHMSA-N 330.355 4.070 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cccnc13)CC2=O 587481769 HMKUODMMAXGYSB-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CC1(C)[C@@]2(N)CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587507995 FBAKJOJQXWTGFT-YPAWHYETSA-N 339.479 4.197 0 1 EIAF CC(C)[C@@H]1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536238 SLEYABMWKLVRJR-UIAACRFSSA-N 328.452 4.350 0 1 EIAF Fc1cnc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587960470 LWVILODCCKKJOW-QWRGUYRKSA-N 346.203 4.206 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CC(=O)C(F)(F)Cl 963242501 QIFQLBWUZQUZEY-BLLLJJGKSA-N 329.818 4.349 0 1 EIAF C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(-c2ccccc2)c1 1772582796 KFKFNYAICGALSE-HNNXBMFYSA-N 342.398 4.341 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@@H](C=Cc1ccccc1)C2 1857622986 ODBOCRLDKFDGTG-JKLQHZFJSA-N 336.431 4.046 0 1 EIAF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)C3CC3)ccc2[nH]1 13472564 ZFSWIGYFMVNPAW-UHFFFAOYSA-N 344.370 4.196 0 1 EIAF CN1CCc2c([nH]c3ccccc23)Cc2[nH]c3ccccc3c2CC1 13808578 FPGUOUPJSRGOEB-UHFFFAOYSA-N 329.447 4.270 0 1 EIAF c1csc(-c2cc(-c3cccs3)nc(OC[C@@H]3CCCN3)n2)c1 28524752 URUXUYBPJOTPNU-LBPRGKRZSA-N 343.477 4.064 0 1 EIAF Cc1c/c(=N\C(=O)Nc2ccc3ncccc3c2)c2ccccc2[nH]1 45193971 QVJHDBKCLNPBIA-UHFFFAOYSA-N 328.375 4.157 0 1 EIAF COC(=O)C/C=C/[C@@H](C)[C@@H](OC)c1cc(F)ccc1Br 72120049 RPBLHNKNTOKICO-NXJNVRQLSA-N 345.208 4.031 0 1 EIAF NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145448996 IOZBFTFIPBDPRX-KRWDZBQOSA-N 338.432 4.460 0 1 EIAF CNC1(c2ccccc2)CCC(c2ccc(OC)cc2)(N(C)C)CC1 146998388 IWWILXYMPNGTMZ-UHFFFAOYSA-N 338.495 4.141 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586879154 JBOLTNBBYCEBLB-CMDGGOBGSA-N 332.281 4.347 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586964258 WGLRGOMYBYWRRZ-SECBINFHSA-N 338.358 4.318 0 1 EIAF C[C@@H]1C(=O)c2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586991121 JBVAXHKKKJXQGL-UWVGGRQHSA-N 329.355 4.088 0 1 EIAF CC(=O)c1ccc(-c2cc(-c3nc4cncnc4[nH]3)ccc2F)cc1 587139183 AEWFRLUYNNMVAJ-UHFFFAOYSA-N 332.338 4.029 0 1 EIAF Cc1c(Br)ccc2nc(COc3ccc(F)cc3)[nH]c12 587169533 YOQNYZMUGHRTLF-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1F)CC2=O 587467922 UUBNKXBXJQXJDR-OAHLLOKOSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3c(C)cccc31)CC2=O 587483613 LFTPOUXZSNIURG-NRFANRHFSA-N 337.419 4.329 0 1 EIAF Nc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622220 FSJIZMXYWGNNIB-UHFFFAOYSA-N 345.175 4.195 0 1 EIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1 587657827 ADTCNGBQWJFXHB-UHFFFAOYSA-N 348.352 4.390 0 1 EIAF Cc1cncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587772661 FPRGXJWFKXPZCC-APPDUMDISA-N 349.247 4.089 0 1 EIAF COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c1C 587788303 WRWJKWHPQLELQR-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ncccn1 587859200 CMXXRWMYKDWAFR-UHFFFAOYSA-N 349.221 4.094 0 1 EIAF C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1 653716332 IKVMLYXGYADGPQ-ZCFIWIBFSA-N 338.738 4.054 0 1 EIAF O=C(O)c1cc2cc(/C=C/c3ccccc3C(=O)O)ccc2cc1O 1857576501 OOJPDDXARGNMFN-FNORWQNLSA-N 334.327 4.112 0 1 EIAF N[C@H]1C[C@@H]2CCCC[C@H]2[C@@H]1/C=C/C=C\[C@@H]1[C@H](N)C[C@@H]2CCCC[C@H]21 1857587331 UHRBQJCDCXMZHK-AGFHCXGLSA-N 328.544 4.406 0 1 EIAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@@H]21 2356570011 VEZLMIBNVADFRK-ZWOKBUDYSA-N 332.440 4.263 0 1 EIAF CCc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222345 ILRSUVQZPNOPRG-SJORKVTESA-N 339.830 4.035 0 1 EIAF C[C@H](CCc1ccco1)NC(=O)c1cc2sc(Cl)cc2n1C 6804707 OCCISHVGPMOVNM-SNVBAGLBSA-N 336.844 4.237 0 1 EIAF C[C@]12Cc3conc3C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 13640956 NSYTUNFHWYMMHU-DYYHUOPESA-N 329.484 4.383 0 1 EIAF CCN(CC)CCn1c2ccc(OC)cc2c2nc3ccccc3nc21 26599927 GYIGKKVNSZPQOF-UHFFFAOYSA-N 348.450 4.088 0 1 EIAF CCOC(=O)COc1ccc2c(-c3ccccc3F)noc2c1Cl 27517481 JYIPVRDRVOUWKG-UHFFFAOYSA-N 349.745 4.229 0 1 EIAF CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(OC)cc1 28949113 FLOHSNUBOSSWIT-UHFFFAOYSA-N 346.477 4.185 0 1 EIAF COc1ccc(C(=O)c2ccc(N(C)C)c3ccccc23)cc1OC 40431347 WJKLKZFREJSERY-UHFFFAOYSA-N 335.403 4.154 0 1 EIAF CCCc1nc2c(NCc3cccs3)ncnc2n1C[C@H](C)CC 82178892 IXMCNFFCTMGUTN-CYBMUJFWSA-N 343.500 4.499 0 1 EIAF CO[C@@H]1O[C@@]2(CCN(CCCCc3ccccc3)C2)c2ccccc21 84730050 FYTIWXPCVXQIHB-FGZHOGPDSA-N 337.463 4.286 0 1 EIAF COc1ccc(CC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc1OC 95571694 AYWWGVIKKJPCSR-UHFFFAOYSA-N 338.403 4.313 0 1 EIAF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2oc(=S)[nH]c2c1 96934830 DGRYYSLCJHQTBD-MRXNPFEDSA-N 337.404 4.188 0 1 EIAF Cc1ccc2c(c1)[C@H](N=O)C(=O)N2Cc1cccc(C(F)(F)F)c1 169722222 MTHLUZKAMVJIRU-HNNXBMFYSA-N 334.297 4.368 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 238752261 CVAKRAZZOFTNQL-XGNBGGDFSA-N 330.424 4.257 0 1 EIAF CCOCc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)o1 586904015 XTFIQMKPYRBMLQ-UHFFFAOYSA-N 326.274 4.258 0 1 EIAF Clc1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1Cl 587032442 WCHWGSVHPWDJKG-UHFFFAOYSA-N 326.208 4.066 0 1 EIAF CC(C)Oc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034463 GEXNFOAWYCGJQE-INIZCTEOSA-N 328.437 4.268 0 1 EIAF Cc1ccc2c3c(c4c(nc13)-c1n[nH]cc1CC4)-c1ccccc1C2=O 587096489 KOMUARJUBDOQBD-UHFFFAOYSA-N 337.382 4.243 0 1 EIAF Cc1cc(Br)c(-c2nc3cc(Cl)cnc3[nH]2)cc1F 587137843 OARISDIPZRNMNW-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Fc1ccc(Br)nc1-c1cc2c3c(cccc3n1)CC2 587213430 RRHXUQPTEZQESX-UHFFFAOYSA-N 329.172 4.297 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1C1CCCCC1)O2 587395959 HJNMGJOBBGGDIV-KRWDZBQOSA-N 325.412 4.055 0 1 EIAF COc1cc2c3c(c1)O[C@@](/C=C1\CCCO1)(c1ccccc1)[C@@H](C2)C3=O 587452062 IRZTXDBRPCORAJ-WEAGKPILSA-N 348.398 4.032 0 1 EIAF CC1(C)C[C@@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587528950 HAOVBHKVFHKUIB-HRAATJIYSA-N 342.435 4.180 0 1 EIAF COc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534734 FCBDWTSBQHCAJM-CYBMUJFWSA-N 349.839 4.390 0 1 EIAF Cc1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587589047 NBVMSFULVUFDLP-RXVVDRJESA-N 349.386 4.348 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC[C@@H](C)O)N1 587826348 AIFBHLYGWOLUEO-WDMOLILDSA-N 344.268 4.105 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 587933913 ZVPMPAOLPLLWQD-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1ccc(OCc3ccccn3)cc1)NCC2 962378635 UBTULQCJTLVKEN-QFIPXVFZSA-N 348.421 4.343 0 1 EIAF Cc1cc(C)cc(C[C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728749 FWWWSHLOKMFNDF-QZTJIDSGSA-N 347.380 4.233 0 1 EIAF CCn1nc(-c2ccc(Br)cc2)nc1-c1ccccc1 1857579321 TXRXKFWNCSFLBO-UHFFFAOYSA-N 328.213 4.395 0 1 EIAF COc1ccccc1-c1csc([C@H](NC(C)=O)c2ccccc2)n1 61904443 PHYSBBJGBITJHV-GOSISDBHSA-N 338.432 4.044 0 3 EIAF C[C@H]1CN(CCC(=O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1 13833011 YIHISZKECJOEAT-MGPUTAFESA-N 343.492 4.326 0 1 EIAF O=C(NCCN1CCCCCC1)[C@H](c1ccsc1)C1CCCCC1 13864167 CQIMIYZKVHVTQM-IBGZPJMESA-N 348.556 4.404 0 1 EIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)([C@@H]3C(=O)OC[C@@H]3CC(=O)OC)[C@@H]12 14923043 DLIVTIVVWVJJOU-DQJZQPOSSA-N 348.483 4.138 0 1 EIAF biogenic Cc1cc([C@@H](O)[C@H]2CCCCN2)c2cc(Cl)cc(Cl)c2n1 27523742 QIXTUMJGEJXBCI-GDBMZVCRSA-N 325.239 4.026 0 1 EIAF COc1ccc(C[C@@H]2c3cccc(Cl)c3CCN2C)cc1OC 28461972 QVFKFMGADFIGEA-QGZVFWFLSA-N 331.843 4.129 0 1 EIAF CC(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc21 32264359 RQONTMNQDQBXIP-UHFFFAOYSA-N 328.843 4.103 0 1 EIAF Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1 34373188 KVHPRFAHAAGVCW-UHFFFAOYSA-N 347.436 4.328 0 1 EIAF CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ccccn3)CC2)cc1 40952383 LEFOMTCDJPXLFG-UHFFFAOYSA-N 335.451 4.154 0 1 EIAF C/C=C/c1ccc(O[C@H](C)[C@@H](O)c2ccc(OC)cc2)c(OC)c1 95596550 NQRZZQRDVJURDV-AMQCWCSSSA-N 328.408 4.238 0 1 EIAF COc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1 95596905 SBFNFABDSZJYPK-NRFANRHFSA-N 348.398 4.437 0 1 EIAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(F)c1 104115810 ZLHPTYCDOBPGHI-SCDSTIRESA-N 344.390 4.089 0 1 EIAF Cc1ccc2c(c1)ncc1c(=O)n(-c3csc(CC(C)C)c3)[nH]c12 147953799 LLMKKHCZBUNBJK-UHFFFAOYSA-N 337.448 4.435 0 1 EIAF CC(C)=CCC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)O 150202279 XVPUGZPKHJALRX-QIZBNSCRSA-N 336.472 4.162 0 1 EIAF biogenic C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)c3c(C)coc3C[C@@H]12 238749607 WEHPANHORJZTCX-RUZYNEDPSA-N 332.440 4.108 0 1 EIAF Brc1nccc2nc(CCc3cc4ccccc4o3)[nH]c12 586903264 HNLQAECEHLHLJT-UHFFFAOYSA-N 342.196 4.252 0 1 EIAF c1ccc(C[C@@H]2N[C@H](c3nc4ccc5ncccc5c4[nH]3)CS2)cc1 587040622 IMOKPADNSZBLAH-ZWKOTPCHSA-N 346.459 4.057 0 1 EIAF O=C(CCCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Cl)cn1 587082078 JQCFMJAMYWMIMS-UHFFFAOYSA-N 335.741 4.095 0 1 EIAF N[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)cc1F 587149131 DENQTKPTOYJSRT-ZDUSSCGKSA-N 328.149 4.196 0 1 EIAF C[C@@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351834 HLXVUKJMBFTCMF-QUCCMNQESA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCC[C@@H](C(F)(F)F)C1)O2 587383536 SPPDLSCKPNASNF-UEKVPHQBSA-N 327.346 4.280 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccnc3)c1C)O2 587391784 YWOWMMRDIRZYAZ-HXUWFJFHSA-N 347.418 4.086 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC[C@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O 587426235 BIMFAQFACVJLFY-GTXQTCRKSA-N 338.378 4.288 0 1 EIAF O=C1C[C@@H](c2cc(Br)c[nH]2)Oc2c1ccc1c2CCCC1 587499131 RJCBVBRBYDEJEO-INIZCTEOSA-N 346.224 4.363 0 1 EIAF C[C@]1(c2ccc(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505236 LWAFVVOAZJDDBZ-HXUWFJFHSA-N 326.367 4.291 0 1 EIAF CCCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525973 XBUJGDCDEJTTRD-OAQYLSRUSA-N 344.451 4.413 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CC1 587859143 ROHTXNWCWPRMQC-UHFFFAOYSA-N 325.195 4.306 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3cccc(Br)n3)n1)O2 587871746 AYCMXCBLBCINBM-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF CC/C(=C/c1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 587968943 WXBRWQHHTRAYSX-NTMALXAHSA-N 328.466 4.189 0 1 EIAF CCC[C@@]1(c2ccsc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963613115 UATYHNQXNQXFHL-DJJJIMSYSA-N 331.481 4.343 0 1 EIAF COC(=O)c1cc(-c2oc3c(Cl)cc(Cl)cc3c2C)[nH]n1 1857593993 YVCDZKIWTOBXCV-UHFFFAOYSA-N 325.151 4.225 0 1 EIAF CC(C)=C[C@@H]1CC(=CCCC(C)=CCCC2=CC(=O)OC2)C(=O)O1 2356647623 CKWCZHSERNCFJJ-GOSISDBHSA-N 330.424 4.184 0 1 EIAF Cc1[nH]c2ccccc2c1CN1CCC(CO)(Cc2ccccc2)CC1 11815200 HQQBWUVQVDFZGO-UHFFFAOYSA-N 348.490 4.294 0 3 EIAF COc1ccc(Cl)cc1C[C@]1(C)C(=O)Nc2c(Cl)cccc21 61905465 JHVHOBDKIVHTOH-KRWDZBQOSA-N 336.218 4.455 0 3 EIAF Cc1cccc(Cc2ccc3ncc(-c4cccc(C(=N)O)c4)n3n2)c1 74386036 ABPGDJWIDPCIEK-UHFFFAOYSA-N 342.402 4.179 0 3 EIAF O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)N1c1ccccc1 95599946 NQTLYGBCKXXXJX-LJQANCHMSA-N 325.371 4.313 0 3 EIAF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 2048135 XFDFDWJXWMKQGW-HTCYUXSBSA-N 340.463 4.370 0 1 EIAF biogenic C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 2456009 UONHZIIUICTLOM-SMDDNHRTSA-N 341.432 4.316 0 1 EIAF Cc1cc(C)c(NC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)c(C)c1 6748375 IFVFVABDBUJXHY-UHFFFAOYSA-N 335.407 4.254 0 1 EIAF CCc1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12 26379163 ZZJSTJGARAFFRM-UHFFFAOYSA-N 329.835 4.238 0 1 EIAF CCOC(=O)c1ccc(NC(=O)Oc2ccc3cccnc3c2)cc1 27715178 MXZFUVVLGVSKSC-UHFFFAOYSA-N 336.347 4.022 0 1 EIAF S=C(Nc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 28707062 ZSRTUHRKYMLNQA-OAHLLOKOSA-N 337.404 4.421 0 1 EIAF O=C1Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2-c2ccccc2N1 28963943 WXGOXKMOGFDFHY-UHFFFAOYSA-N 343.308 4.053 0 1 EIAF Cc1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cc1 29126678 GGXRNWOBVVRSIQ-UHFFFAOYSA-N 326.440 4.248 0 1 EIAF Oc1ccc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)cc1 65397058 ZBOJTKWFNFBAPJ-UHFFFAOYSA-N 344.418 4.210 0 1 EIAF CCCC1=Nc2ncnn2[C@@H](/C=C/c2ccccc2)/C1=C(\O)OCC 101631224 GXBBCLCFBKKZCQ-OWDZYLPMSA-N 338.411 4.225 0 1 EIAF O=C(O)c1ccc2c(c1)nc(NCc1ccccn1)c1ccsc12 167740567 PHTWJKHZHLYEQA-UHFFFAOYSA-N 335.388 4.155 0 1 EIAF O=C(NCCCCCCn1cnc2ccccc21)Oc1ccccc1 473127249 ATXBTUVOICBXCJ-UHFFFAOYSA-N 337.423 4.385 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4C[C@H](O)C4)cc3)cc12 584618997 RQZSOXIQLVNMAF-JOCQHMNTSA-N 341.794 4.425 0 1 EIAF COC(=O)c1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2cn1 586879994 WCDBMYCCHWDXNK-UHFFFAOYSA-N 343.386 4.387 0 1 EIAF Brc1nccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882710 AGIOOGNAAAVWFJ-ZGNZKYAMSA-N 332.245 4.188 0 1 EIAF CCOc1n[nH]c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl 587065654 WFYOXQBUOYFCCE-UHFFFAOYSA-N 331.590 4.312 0 1 EIAF CCc1nccn1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103797 AYBXEYYZLDYIEP-UHFFFAOYSA-N 339.398 4.253 0 1 EIAF CCn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587105175 RHMSCFPDIISGJI-UHFFFAOYSA-N 325.371 4.330 0 1 EIAF FC(F)(F)c1cncc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587115624 SIJKDMMKQONSFM-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF Cc1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c(C)n1 587120817 WJVQTDQMRJNSML-UHFFFAOYSA-N 331.301 4.137 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3nccs3)c1)O2 587412581 JHSGYPFDRDMJAR-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1-c1ccsc1)O2 587415232 YRHKOMSSZYDNGR-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(F)c1)CC2=O 587467864 SYXXXEWLOKIEED-IBGZPJMESA-N 330.355 4.070 0 1 EIAF O=C1C[C@]2(CC[C@H]3SCCS[C@H]32)Oc2c1ccc1c2CCCC1 587537786 KBQGIZPQZNAKSM-QRQLOZEOSA-N 346.517 4.280 0 1 EIAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617019 OBGHRWUNFNUQTI-XLIONFOSSA-N 336.343 4.251 0 1 EIAF COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587630652 OCNVBXIDHKLDIW-UHFFFAOYSA-N 349.720 4.122 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2c(F)cnc(Cl)c2[nH]1 587934233 FTTJYUYGQQHEEO-UHFFFAOYSA-N 343.789 4.331 0 1 EIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C=C[C@H]12)[C@](C)(O)C3 2356650967 YAEBBOYLVMTKML-KYMPNAOUSA-N 346.511 4.489 0 1 EIAF CCCCC[C@@H](O)C=CC=CC[C@@H](O)C=CC=CCCCC(=O)O 2356689009 VBQUXWAGWFCNLJ-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF Cc1nccn1C[C@@H]1CCc2c(c3cccc4c3n2CCCCC4)C1=O 13834030 RLXQUWKBZWYVNI-KRWDZBQOSA-N 347.462 4.318 0 1 EIAF CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 13862329 YLPWORNATWTQBL-UHFFFAOYSA-N 330.434 4.047 0 1 EIAF Fc1ccc(SCCCN2CCN(c3ccc(F)cc3)CC2)cc1 28886738 SYQDODYZJJAZAM-UHFFFAOYSA-N 348.462 4.269 0 1 EIAF C[C@H]1CC[C@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1 29546437 TVMSYESYJXBYTC-CNNODRBYSA-N 338.495 4.361 0 1 EIAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(F)cc2)S1)c1ccc(F)cc1 40860744 MIGKHDFDKUOWGG-VOJFVSQTSA-N 346.402 4.160 0 1 EIAF CSCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2 73223285 HJQQVXFJMGDFGZ-UHFFFAOYSA-N 347.524 4.141 0 1 EIAF CC(C)(C)NC(=O)Nc1ncccc1OCc1ccc(Cl)cc1 207018745 PWYQZFYBUYGSON-UHFFFAOYSA-N 333.819 4.234 0 1 EIAF Fc1ccc(COc2nc(N3CCCCC3)nc3ccccc23)cc1 299840297 UWRBDYQOCNVFTM-UHFFFAOYSA-N 337.398 4.338 0 1 EIAF Cc1nc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1Br 586884516 QJGZRXDQMSUVTD-PXDYOCJYSA-N 346.272 4.497 0 1 EIAF C[C@H]1C[C@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587205641 ARLVIAWSLGASGQ-RYUDHWBXSA-N 343.382 4.197 0 1 EIAF C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353916 PKIDCNYGYXZMRG-ZQBYOIRZSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OCC3CC3)c1)O2 587380711 BVOZFRARAVHAQJ-SFHVURJKSA-N 341.382 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(C)c1)(C1CC1)O2 587381811 LMTPBJPCQDBLEM-HXUWFJFHSA-N 325.383 4.295 0 1 EIAF CCOc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587399366 JLJYCNDRXYKWPX-SFHVURJKSA-N 325.408 4.299 0 1 EIAF CCCC[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451782 RJKGLFZXQSIROZ-UTKZUKDTSA-N 338.403 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CCCc1ccccn1)CC2=O 587491493 TWPRLAQERXDONQ-HNNXBMFYSA-N 325.408 4.096 0 1 EIAF O=C1C[C@@]2(CCOc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 587506777 LXKVFGXTIRPHHG-OAQYLSRUSA-N 338.378 4.348 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 587931469 JBSIWOBJXLVDQX-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF Fc1cc(F)c(F)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1F 963113555 UQKXEPFJGPEDLI-YPMLDQLKSA-N 339.307 4.492 0 1 EIAF O=C(Nc1ccccc1)Nc1nccn2cc(-c3ccccc3)nc12 1772652429 PDRSAQVUOSGMDM-UHFFFAOYSA-N 329.363 4.040 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 1857621852 LZCICCXBBYHFCF-NGPGGMJFSA-N 346.511 4.164 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H](O)O[C@H]3O2 2356490384 GJHSJLKEFAMHFY-PNYFIKQUSA-N 332.440 4.037 0 1 EIAF CC(=O)c1ccc(N2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 4981043 DTSZNYCHGCSWRW-FPOVZHCZSA-N 338.495 4.004 0 1 EIAF COc1ccc2c(c1)CCC(CCN1CCN(c3ccccc3)CC1)=C2 13760539 HTCBQRGEAMMAAA-UHFFFAOYSA-N 348.490 4.237 0 1 EIAF Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)c(F)c(F)c3)cc2n1 13834967 KRWJCKHWSFDPIW-UHFFFAOYSA-N 346.356 4.341 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@H](C)C2 14618728 UIXVBRXEFVSERL-BHVCSQLQSA-N 340.419 4.393 0 1 EIAF biogenic CCCC[C@H]1CN(c2cc(OC)cc(C(F)(F)F)c2)CC[C@H]1N 28821801 PREGFYVMCPMPHS-BLLLJJGKSA-N 330.394 4.058 0 1 EIAF C/C(=C\c1ccccc1)CN(CCCN)C(=O)c1c[nH]c2ccccc12 28825845 QVLIDYOBDQJVFW-SAPNQHFASA-N 347.462 4.062 0 1 EIAF CCCN(CC1CC1)c1nc(C)c(Oc2cc(C)ccn2)nc1C 28956146 WTNLDPKRAJDQIM-UHFFFAOYSA-N 326.444 4.216 0 1 EIAF CCOc1cc2c(cc1O)C(=O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 39051532 MWMQARHZUCGXAL-GBKUIOJHSA-N 344.451 4.038 0 1 EIAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCC3CC3)ncnc21 82179970 BTEAZOOFCMMRQR-CQSZACIVSA-N 335.455 4.361 0 1 EIAF Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 96271445 FYRYKOQBRXRWER-UHFFFAOYSA-N 339.782 4.138 0 1 EIAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1ccccc1OC 103083256 NSLHHIOAGBEZAM-SFHVURJKSA-N 349.430 4.255 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@@H]3[C@H]4C[C@@H]5CC[C@H]6CC[C@@]5(C6)[C@]3(C)[C@](C)(C4)[C@]21O 103575469 ZDNSPOYRVSRVOI-DPWMQDJHSA-N 344.495 4.067 0 1 EIAF biogenic,in-vitro C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccco3)nc2s1 118592967 PVOIMUIDWFQGQH-TXEJJXNPSA-N 342.468 4.296 0 1 EIAF CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 140693457 YUEVEZWXYBGVTF-RFFXMNMUSA-N 345.527 4.301 0 1 EIAF CC(C)(NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 165983173 YOCGJVWUKVCGAY-UHFFFAOYSA-N 338.436 4.262 0 1 EIAF C[C@H](N1CCc2cc(COc3ccccc3)ncc2C1=O)C(C)(C)C 169326802 ZBNHAWFHFDFYPA-HNNXBMFYSA-N 338.451 4.094 0 1 EIAF CC(C)CN(CC(C)C)C(=O)c1cccc2cc3c(cc12)OCO3 169349645 STVUHMLMELADQD-UHFFFAOYSA-N 327.424 4.323 0 1 EIAF Nc1cnc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cn1 224556934 CEBHCXZEPMARMC-UHFFFAOYSA-N 329.762 4.097 0 1 EIAF Nc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1 299858720 GSIGKOXWPQFGKV-UHFFFAOYSA-N 348.189 4.127 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587006273 CIAOXOHWTBJSHX-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1F 587022945 GORLTOYEEXRPII-UHFFFAOYSA-N 348.403 4.481 0 1 EIAF NC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164983 HFSTXKMYJRSUNO-UHFFFAOYSA-N 337.379 4.196 0 1 EIAF Cc1nc2cccc3c2c(c1CCCC(=O)O)-c1ccccc1C3=O 587205980 GFIPYNDPBRQRKW-UHFFFAOYSA-N 331.371 4.162 0 1 EIAF COc1ccccc1Nc1ccccc1-c1nc2cc(N)c(N)cc2[nH]1 587239923 CBJWSUPSHRWXMC-UHFFFAOYSA-N 345.406 4.147 0 1 EIAF C[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587374148 OHSSWDFMPLRXES-RDBACFOTSA-N 344.407 4.012 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(Cl)cc1F)O2 587380704 BUYNROHDAYNGDC-QGZVFWFLSA-N 337.753 4.389 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426247 BSCAZPHHVZUUAX-GRXQJBFDSA-N 338.378 4.144 0 1 EIAF CC[C@@]1(c2c(F)ccc(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428434 ZIPICUPWDIVJAA-NSPYISDASA-N 348.320 4.165 0 1 EIAF CC(=O)c1cc(N)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511180 NQVCCPGWIJBDKU-JOCHJYFZSA-N 349.430 4.231 0 1 EIAF C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611865 KJBFJWZRRMAGTJ-QFBILLFUSA-N 338.384 4.331 0 1 EIAF Cc1ccc2c(c1)[C@]1(CC2)c2cccc(Br)c2CCN1C 963289282 LMELKPXSBZIWFM-IBGZPJMESA-N 342.280 4.435 0 1 EIAF COC(=O)CC=C[C@@H](C)[C@H](OC)c1cc(F)ccc1Br 1857621881 RPBLHNKNTOKICO-BMIGLBTASA-N 345.208 4.031 0 1 EIAF Cc1cc2c(O)c3c(c(O)c2o1)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O 1857744966 AXRUBGIAHPPLHM-YUNKPMOVSA-N 342.391 4.002 0 1 EIAF CC[C@H](OC)[C@H](O)CC=CCC=CCCCCCCCC(=O)O 2356738273 HWFCXWBMBGDXGB-MSOLQXFVSA-N 326.477 4.480 0 1 EIAF Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3)c2cc1Cl 72141240 QEUBZLPCMMGFHT-UHFFFAOYSA-N 327.811 4.387 0 3 EIAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]21C 263591595 OIIHTRLQCQVVQC-OHXCOFTBSA-N 326.484 4.343 0 3 EIAF O=C(Nc1cccnc1)c1oc(=O)c2ccccc2c1-c1ccccc1 429176 HHUHVLMZACQCRG-UHFFFAOYSA-N 342.354 4.107 0 1 EIAF CN(C)c1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 755297 RJEQQCNRQBLPJQ-UHFFFAOYSA-N 341.418 4.062 0 1 EIAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCC3 21972069 VRNXFLNDJSUJOW-UHFFFAOYSA-N 342.489 4.275 0 1 EIAF COC(=O)[C@H]1[C@@H](c2cccc(-c3ccsc3)c2)C[C@@H]2CC[C@H]1N2C 26262751 OECDZVROWVHNGS-MANSERQUSA-N 341.476 4.154 0 1 EIAF COc1cc(-c2ccc3c(c2)C(=O)Nc2ccccc2N3)ccc1O 28710733 JRMUTMZLTDYPTN-UHFFFAOYSA-N 332.359 4.377 0 1 EIAF CN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 45289240 QOIYGLHUBGCRFN-UHFFFAOYSA-N 329.812 4.135 0 1 EIAF CN1C(=O)[C@@](O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21 73160763 IYFQBUQUBZBACZ-OAQYLSRUSA-N 347.439 4.267 0 1 EIAF Cc1cc(OCCN2CCCCC2)nn1-c1ccc2ccccc2c1 95556256 TYQPLZVNSCAIFI-UHFFFAOYSA-N 335.451 4.199 0 1 EIAF c1cc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)ccn1 100108679 JAONVPPHLACSCW-JKHIJQBDSA-N 347.506 4.069 0 1 EIAF CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccccc4c1)CN32 100808760 AUASRRWSKHUBGZ-QUDFUNGSSA-N 347.458 4.269 0 1 EIAF Cc1ccc([S@@](=N)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1C 101161008 WJOVDEDJRURDMX-QFIPXVFZSA-N 337.832 4.099 0 1 EIAF Cc1ccc(-n2c(O)cc(Sc3ccccc3C(=O)O)c2O)cc1 169691637 JUKCYZXTVTZQHD-UHFFFAOYSA-N 341.388 4.046 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@@]1(C)/C=C/c1ccoc1 238746901 CZISMHZGGMHTGB-QFYRBMFKSA-N 330.424 4.127 0 1 EIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccnc(O)c3[nH]2)c1 586881467 GEESYAYSKZPVQK-UHFFFAOYSA-N 343.386 4.178 0 1 EIAF COc1cc(/C=C\c2nc3cc(F)cnc3[nH]2)ccc1Br 586975732 FEWAHADPTQGNSV-HYXAFXHYSA-N 348.175 4.039 0 1 EIAF Clc1c(-c2nc3cncc(Cl)c3[nH]2)ccnc1Br 587005421 IGAPPRAYQHEMAX-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587119132 YPDKTLZJTVQRQA-UHFFFAOYSA-N 334.223 4.001 0 1 EIAF Cc1ccnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 587137876 PSLAQRGONGPIDR-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 587232930 FYZFEIBVHVELAD-ONGXEEELSA-N 337.370 4.002 0 1 EIAF Nc1ccc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587252325 YCOZHIWMEBMBHC-UTCJRWHESA-N 349.619 4.126 0 1 EIAF CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357101 SNSVULHNHKHFSK-UYAOXDASSA-N 326.367 4.449 0 1 EIAF COc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587374106 GKYAPQKRHITYIK-LJQANCHMSA-N 345.826 4.206 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(F)ccc1F)(C(C)C)O2 587382478 RWTBAEMASDWMOF-LJQANCHMSA-N 331.362 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccncc3)c1)O2 587395639 SVJBJLRSHQCPEB-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF CCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587405885 YWPYYRVNIAGKRO-FQEVSTJZSA-N 325.408 4.334 0 1 EIAF O=C1C[C@@H](c2ccc(Br)[nH]2)Oc2c1ccc1c2CCCC1 587497131 KNJRGGITYYSHGY-HNNXBMFYSA-N 346.224 4.363 0 1 EIAF CC[C@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861810 CUEIBTUGXXEANK-JTQLQIEISA-N 326.318 4.264 0 1 EIAF CCCC/C=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587964885 DRGLVTLCGRTBSM-AATRIKPKSA-N 332.347 4.060 0 1 EIAF CCOC(=O)CCCC[C@@]1(C2CC2)NCCc2c1sc(C)c2C 963007076 GCINYZAJVMZTIU-IBGZPJMESA-N 335.513 4.239 0 1 EIAF COc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(F)c1OC 963099267 JJWCKTFPHBSSFA-HNAYVOBHSA-N 345.389 4.092 0 1 EIAF Oc1c(-c2ccccc2)cccc1C(O)(C(F)(F)F)C(F)(F)F 1772574603 BASOANKJMASXGC-UHFFFAOYSA-N 336.231 4.371 0 1 EIAF CCCCN1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)cc1 1772655278 QWHOGERPITUZKI-NRFANRHFSA-N 336.479 4.124 0 1 EIAF CC1(C)[C@H]2CCC3=C[C@](C)([C@@H]4COC(=O)O4)CC[C@@H]3[C@@]2(C)CC[C@H]1O 2356445438 BGSJFVGLRGGPJP-DLEQHHMNSA-N 348.483 4.462 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cocc3C(=O)C[C@H]12 2356790077 FBTVMHKPTOSTHZ-MSJBJCGKSA-N 330.424 4.431 0 1 EIAF COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(Cl)cc3C)n2)c1 61896208 VLMLQSVXGBZJMX-KRWDZBQOSA-N 328.799 4.129 0 3 EIAF C[C@]12Cc3cn[nH]c3C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 263591594 OIIHTRLQCQVVQC-FBFBSROVSA-N 326.484 4.343 0 3 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C 13491016 HGNMYGRBKGXPFK-BQJUDKOJSA-N 335.447 4.093 0 1 EIAF O=c1cc(-c2ccccc2)oc2c(Cc3ccccc3)c(O)cc(O)c12 13558404 ZOLGXZAWSRQLNJ-UHFFFAOYSA-N 344.366 4.462 0 1 EIAF Cc1ccsc1CN1CCc2nc(Nc3ccccc3)ncc2C1 21262056 BPBPFBUNKOYWPR-UHFFFAOYSA-N 336.464 4.148 0 1 EIAF aggregator CC(C)C(=O)SCCCCCCNC(=O)c1cc2ccccc2[nH]1 28123108 WMTCZBLDURHPLX-UHFFFAOYSA-N 346.496 4.374 0 1 EIAF COc1ccc(/C=C(C#N)\C(O)=N\c2cccc3ncccc23)cc1 33403358 NVMYHKOSEUNHAC-QINSGFPZSA-N 329.359 4.439 0 1 EIAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(-c2csc(N)n2)cc1 40976622 QFZDAAWKUJFDSN-UHFFFAOYSA-N 349.459 4.260 0 1 EIAF CCc1cc(Cl)cc2[nH]c(O)c(-c3cccc(N(C)C)c3)c(=O)c12 43118485 SZUUXZDGNBZCEF-UHFFFAOYSA-N 342.826 4.183 0 1 EIAF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccco2)s1 82165561 FKBNPTRASWVGKP-UHFFFAOYSA-N 326.425 4.244 0 1 EIAF Cn1cc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cn1 96282220 UPJJRELFFCGJGA-UHFFFAOYSA-N 347.403 4.087 0 1 EIAF NC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1 146926946 XZJZLDYVCVKCSJ-UHFFFAOYSA-N 346.365 4.298 0 1 EIAF Clc1ncc2nc(-c3cc(Br)ccc3Cl)nc-2[nH]1 586980464 RMQWJFBIXACGPK-UHFFFAOYSA-N 343.999 4.041 0 1 EIAF O=Cc1cc(Br)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 586982828 QNVNYNQYAFKIOS-UHFFFAOYSA-N 335.588 4.458 0 1 EIAF CCOC(=O)c1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1 587011436 GEISSGGHLAHIBD-UHFFFAOYSA-N 327.409 4.049 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587154244 ANLHTRVXINEXBD-AWEZNQCLSA-N 332.306 4.069 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(Cl)cc4[nH]1)[C@@H](C2)C3=O 587423049 SWEAITSXTSSGAC-DJJJIMSYSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H]2CC[C@@]1(C)C2(C)C 587477471 CIJKNGPYQGDDKI-SZFUDVHCSA-N 342.435 4.074 0 1 EIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522952 JLJQWYJHCICLAR-GHTZIAJQSA-N 344.451 4.125 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1C 587868457 LQMZGIRYGSUPDP-UHFFFAOYSA-N 347.340 4.329 0 1 EIAF Cc1ccc2oc([C@@]3(C)NCCc4c3c(C(C)C)nn4C)c(C)c2c1 962906500 GQFBWLHHUIFCGV-NRFANRHFSA-N 337.467 4.316 0 1 EIAF COc1ccc([C@@H](c2ccccc2)[S@](=O)Cc2cncs2)cc1 1857561505 ZIRUMFOISHAJDS-WZONZLPQSA-N 343.473 4.190 0 1 EIAF COc1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1OC 1857595714 IYAOLQYETJWRER-JXMROGBWSA-N 349.386 4.348 0 1 EIAF CC(=CCc1cc(O)c(Br)cc1O)CCCC(C)(C)O 2356545324 QOOBYOQJZDIWIK-UHFFFAOYSA-N 343.261 4.290 0 1 EIAF C[C@@H](C(=O)NC1CCCC1)n1c(C2CCCC2)nc2ccccc21 199235436 RRWPFXLIHSHROD-AWEZNQCLSA-N 325.456 4.314 0 3 EIAF Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 13588895 PAIPLQRQUARRGZ-UHFFFAOYSA-N 335.190 4.277 0 1 EIAF CCc1cccc(N(C)C(=N)Nc2ccccc2Br)c1 13776044 DQIPEGALGLJKAI-UHFFFAOYSA-N 332.245 4.495 0 1 EIAF Cc1cccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c1 14977016 NWTGXSVYKLAVJS-KRWDZBQOSA-N 340.419 4.347 0 1 EIAF COc1ccc([C@](O)(c2cncnc2)C2CCCCCCC2)cc1 28768806 AZPIATYDRIHDBW-FQEVSTJZSA-N 326.440 4.082 0 1 EIAF CCO/C=C\[C@@]12CCC[C@H]1NC(c1ccccc1)(c1ccccc1)O2 33849331 OBIWHZGRBCATLQ-DHFHGLKYSA-N 335.447 4.349 0 1 EIAF Clc1cccc(-n2nnnc2N[C@H]2CCc3ccccc32)c1Cl 34634652 KOYDWMDBDUGTDQ-ZDUSSCGKSA-N 346.221 4.069 0 1 EIAF CC[C@H](Nc1ccc(-c2nc(CC(C)C)no2)cn1)c1ccncc1 39399629 VKYXWXYRTJADDP-INIZCTEOSA-N 337.427 4.288 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CC[C@@H](O)O1 40402006 RPXBOKFFDADXDV-QMFSVNIWSA-N 328.452 4.116 0 1 EIAF O=C(O)[C@@H](Cc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1 40895512 OKBASBXKPLMJNO-CQSZACIVSA-N 344.716 4.434 0 1 EIAF CC1(CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCNCC1 49111733 WOEHLPYZDHVDEM-UHFFFAOYSA-N 342.870 4.127 0 1 EIAF CSc1nn(-c2ccc(F)cc2)c2cc(C3=CCNCC3)ccc12 72175380 UBRBWTYCZSKZLM-UHFFFAOYSA-N 339.439 4.263 0 1 EIAF COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cnc2N)cn1 95575703 SDZJFEPMOQELNW-UHFFFAOYSA-N 345.324 4.420 0 1 EIAF CCc1nn(C)c(C(=O)NCc2ccc(CC(C)(C)C)cc2)c1Cl 103189224 UWAGZXJPGCPYGB-UHFFFAOYSA-N 347.890 4.155 0 1 EIAF Cc1cc(F)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587006583 IGUCWUGDXQUYOK-UHFFFAOYSA-N 345.175 4.088 0 1 EIAF Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1C 587007433 XRVASCKSIHZREC-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF COc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1F 587020394 AGFWHFMGEQVPAZ-UHFFFAOYSA-N 328.372 4.138 0 1 EIAF COc1cc(OC)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036784 NBOKMTJJBVTRFP-HNNXBMFYSA-N 332.450 4.020 0 1 EIAF Cc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587043080 XXNWMKXJJXSQNC-SJORKVTESA-N 343.883 4.471 0 1 EIAF COC(=O)c1cccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587088255 VETXFTGFLALZQC-UHFFFAOYSA-N 325.755 4.151 0 1 EIAF Fc1cc(Br)ccc1-c1nc2cc3cn[nH]c3cc2[nH]1 587142655 JNTKCYNLKQYQSK-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF Fc1cccc2c(-c3nc4c(Br)cccc4[nH]3)n[nH]c12 587175949 CYTAAWQMDGDATN-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF COc1cc2c(cc1Cl)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587379277 HIMIOEMKWKKYGR-IBGZPJMESA-N 343.810 4.046 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCOC)c1)CC2=O 587480822 PLRSBAOOBVXCGL-IBGZPJMESA-N 342.391 4.034 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(O)c13)CC2=O 587482893 KKAYTOKBAKGOII-GOSISDBHSA-N 337.375 4.238 0 1 EIAF O=C1C[C@@H](c2cnc3cccnc3c2)Oc2c1ccc1c2CCCC1 587526290 PFLVXPNSGPEDBX-FQEVSTJZSA-N 330.387 4.215 0 1 EIAF Cc1ccc(C)c([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531385 ZSXIRKBVQYQAMP-QFIPXVFZSA-N 336.431 4.035 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(-n3cc(C(=O)O)nn3)c2c1 587642727 OJTCQZWJIBVFAO-LLVKDONJSA-N 340.427 4.258 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)Cl)N1 587708524 YQKCNBHTZNISOC-KBUNVGBDSA-N 342.586 4.169 0 1 EIAF CC(C)OCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587791601 KFBBDHDTSCNNCT-BDJLRTHQSA-N 344.268 4.153 0 1 EIAF CC(=O)C[C@]1(c2ccccc2Cl)NCCc2ccc(F)c(C)c21 962096072 ZPRXQDVMKVDJNR-LJQANCHMSA-N 331.818 4.156 0 1 EIAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)s1 963607767 KDVGEIHXSWRNLK-BUXKBTBVSA-N 331.481 4.341 0 1 EIAF N=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2[nH]ncc2c1 1772605529 LNLYQCKYYLELKE-UHFFFAOYSA-N 337.386 4.048 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C)[C@]12C 2356444557 ZGSGPGJJWNVAIA-RUBGJQGZSA-N 334.456 4.332 0 1 EIAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CC)[C@H]1C2 1537182 UBWZQILFMCCHFE-FPOVZHCZSA-N 344.499 4.263 0 1 EIAF O=C1c2ccccc2[C@H](Nc2ccc(F)cc2F)N1c1cccnc1 4917972 ODECNTKDFPSLTN-GOSISDBHSA-N 337.329 4.131 0 1 EIAF CCCCC(=O)NC[C@@H]1CCCCc2c1c1cc(OC)ccc1n2C 13777916 CKNPLEYWRLVUOM-HNNXBMFYSA-N 342.483 4.303 0 1 EIAF Fc1ccc(CN(CC2CCC2)C2CCNCC2)c(C(F)(F)F)c1 36093133 VVKADMNJXPXHTR-UHFFFAOYSA-N 344.396 4.199 0 1 EIAF CN1CCC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 45283958 DLLCKSSZJVZCNE-SIYKVTCMSA-N 334.507 4.352 0 1 EIAF Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3Cl)C2)cc1C 53314718 RVZPCKKTXIBTBZ-QGZVFWFLSA-N 343.883 4.352 0 1 EIAF CC[C@H](C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1 66122892 AEXWHNCQYTYTMP-YJBOKZPZSA-N 343.492 4.121 0 1 EIAF Cc1cn(Cc2coc(-c3ccc(O)cc3)n2)c(-c2ccccc2)n1 72182940 RXDVKNUFGOHITE-UHFFFAOYSA-N 331.375 4.267 0 1 EIAF O=C(O)c1cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n1O 73139167 JTVQZHGFLRTDFC-UHFFFAOYSA-N 337.253 4.142 0 1 EIAF COc1cc(/C=C/C(=O)O)cc2cc(-c3ccccc3N(C)C)oc12 96934935 AOOHXLSIEKEMLR-CMDGGOBGSA-N 337.375 4.272 0 1 EIAF CCCCCOc1ccc([C@@H]2COC(c3cc(CC)nn3C)=N2)cc1 103173702 BVXSEXBAZVYFHW-SFHVURJKSA-N 341.455 4.070 0 1 EIAF CC[C@@]1(C(=O)NCCc2cccc(Cl)c2)[C@@H](C)C1(Cl)Cl 103272516 MZXCPEUWSOWNLM-YGRLFVJLSA-N 334.674 4.219 0 1 EIAF CCNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1 299869563 UZNLOWPIDPDUQC-UHFFFAOYSA-N 344.461 4.075 0 1 EIAF Nc1cccc(-c2cccc(-c3c(-c4ccc(O)cc4)n[nH]c3N)c2)c1 584904678 BUIBXSQEEVVBFQ-UHFFFAOYSA-N 342.402 4.281 0 1 EIAF in-vitro CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587044238 YAEKZIRPMACKEK-AWEZNQCLSA-N 345.512 4.481 0 1 EIAF COc1ccc(-c2nc3cc(Cl)ncc3[nH]2)c(C(F)(F)F)c1 587095912 ZCPOIUUVCWFVHH-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF COc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1F 587229166 AUBXWQBNKZTTAL-UHFFFAOYSA-N 348.381 4.385 0 1 EIAF COc1cc(N)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587507217 BEAVADOXWMNTDS-NRFANRHFSA-N 337.419 4.037 0 1 EIAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2c(C(=O)O)cccc12 587638361 KCGOSBUNZYPNQC-UHFFFAOYSA-N 329.739 4.095 0 1 EIAF CC[C@]1(Cc2nc3ccc(Cl)nc3[nH]2)CC(=O)c2ccccc2C1 587962713 ZFQCZRSDDTZNPF-LJQANCHMSA-N 339.826 4.379 0 1 EIAF CCO[C@@H](C)n1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660241 HSDXDMFCZDHKIF-KSFYIVLOSA-N 347.462 4.340 0 1 EIAF CCCCC[C@]1(CC2OCCO2)c2c(F)cccc2C[C@H]2CCCN21 963096719 GELVCWZMVXLCJL-UTKZUKDTSA-N 347.474 4.385 0 1 EIAF CC(=O)c1c(OCC=C(C)CCC=C(C)C)cc(O)c(C(=O)O)c1O 2356729494 LJZJHNDPUGZCHI-UHFFFAOYSA-N 348.395 4.070 0 1 EIAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 2356747438 UINDYEKBRZRPSX-DYKFCPGESA-N 332.484 4.469 0 1 EIAF COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1cccc(O)c1-2 13480520 AONJBADGZUCIGR-UHFFFAOYSA-N 348.398 4.168 0 1 EIAF biogenic,in-vitro C/C(=C\Cc1c(C)c(C)c(C)c(Br)c1O)CCC(=O)O 13759751 ZFOADJLVIZWKMP-WEVVVXLNSA-N 341.245 4.434 0 1 EIAF COC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCCO 15165719 HXEGZMICEDPCFY-ZWKOTPCHSA-N 328.493 4.381 0 1 EIAF biogenic CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1 21981279 YGODTRTXGSNAQE-BDBAMQCISA-N 343.423 4.134 0 1 EIAF c1ccc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1 29123833 RFUPSPDFADZHEL-UHFFFAOYSA-N 341.374 4.150 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cnc(Cl)s1 72141448 LMEDUIHCIDNPGF-HNNXBMFYSA-N 337.231 4.129 0 1 EIAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(O)c(F)c1 84689928 RKMYVVAHPNIJAY-ZDUSSCGKSA-N 329.415 4.249 0 1 EIAF COc1ccccc1/C=C/CNc1ccc(-c2cnco2)c(OC)c1 96935285 JHEIEIMTCREYKM-FNORWQNLSA-N 336.391 4.484 0 1 EIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(C(F)(F)F)cc1 117724279 XNCRFWWDCPFRLZ-CQSZACIVSA-N 334.341 4.035 0 1 EIAF CN(CCCN1CCc2oc3ccccc3c2C1)CCc1ccccc1 299820065 FISMYRQXBFPFIR-UHFFFAOYSA-N 348.490 4.356 0 1 EIAF c1ccc(CN[C@H]2CCCn3nc(OCc4ccccc4)cc32)cc1 299835946 FGUFFVPXTSHUIM-IBGZPJMESA-N 333.435 4.087 0 1 EIAF Clc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CCC2)cc1 587073329 BTEITDGDPWZING-UHFFFAOYSA-N 340.810 4.458 0 1 EIAF CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384795 IYSFDRJDQZVTFG-LJQANCHMSA-N 342.414 4.269 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1ccc(C)cc31)O2 587396011 IIWADOLYKCMTQC-NRFANRHFSA-N 332.403 4.174 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H](C)CC)CC2=O 587480406 JNLKOJXKPIFFEV-XCLFUZPHSA-N 348.439 4.048 0 1 EIAF CC(C)(Br)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501196 WPCSYPDKFYZCFS-KRWDZBQOSA-N 337.257 4.463 0 1 EIAF CCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522950 JJNUWHNJOHSCEL-UWJYYQICSA-N 344.451 4.269 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCC(C)(C)O2)N1 587831623 IHXSNIFHOLXPID-DFKRKDTASA-N 342.252 4.121 0 1 EIAF Nc1oc2c(-c3ccncc3)nccc2c1Nc1cc(F)cc(F)c1 1857649901 CIMJQNRQKRVJNM-UHFFFAOYSA-N 338.317 4.494 0 1 EIAF C[C@@H]1C(=O)N(C)c2ccc(NC(C)(C)c3ccccc3)cc2N1C1CC1 1857746728 OPVVEVKCRPXCTP-OAHLLOKOSA-N 349.478 4.368 0 1 EIAF Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(C(=O)O)c1 13531801 IFCPQZNCKYDWQT-UHFFFAOYSA-N 338.285 4.356 0 1 EIAF O=C(/C=C/CCCC/C=C\c1ccc2c(c1)OCO2)N1CCCC1 14591325 BYKNKNBUHGFXQF-VTBWALSUSA-N 327.424 4.168 0 1 EIAF endogenous,in-man COc1ccc2c(c1)OCc1c-2oc2c(OC)c(OC)c(OC)cc12 14763570 POIDJPZIKAENEO-UHFFFAOYSA-N 342.347 4.027 0 1 EIAF biogenic CC(C)=CCN1CCn2c(S)nc3cc(Cl)c4c(c32)[C@H]1CC4 27870838 IDVVAKCLRRWZNG-CQSZACIVSA-N 333.888 4.248 0 1 EIAF c1ccc2cc(CCO[C@@H]3CCCC[C@@H]3N3CCOCC3)ccc2c1 38493580 NWPBCZNZFCURCH-FCHUYYIVSA-N 339.479 4.042 0 1 EIAF O=C(Cc1ccc(Oc2ccccc2)cc1)NCCc1ccc(O)cc1 43020734 JQSNWBRHHOIQAV-UHFFFAOYSA-N 347.414 4.086 0 1 EIAF O=C(Cc1ccccc1)NCCN(c1ccccc1)c1ccccc1 84758750 VPTXEPRGRRYVEP-UHFFFAOYSA-N 330.431 4.184 0 1 EIAF Clc1ccccc1/C=C/c1nnc(-c2ccc3c(c2)OCCO3)o1 96269807 YTROZPGZMOMQSR-SOFGYWHQSA-N 340.766 4.332 0 1 EIAF CCc1nn(C)c(C(=O)NCc2ccc([C@@H](C)CC)cc2)c1Cl 103189216 GBBWDFINKXGYEJ-LBPRGKRZSA-N 333.863 4.079 0 1 EIAF Nc1cccc2c(-c3cccc(NC(=O)c4nccs4)c3)ccnc12 103296016 ZYJMPXJTPWBVJW-UHFFFAOYSA-N 346.415 4.193 0 1 EIAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1 586892775 WHYGUNXBPDJUIK-RNCFNFMXSA-N 326.181 4.071 0 1 EIAF Cc1cc(Br)cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902758 MJQSAYJPHYCVCB-UKRRQHHQSA-N 343.224 4.203 0 1 EIAF O[C@H]1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586904282 SOWUIKFAEWVEIL-FZMZJTMJSA-N 336.288 4.290 0 1 EIAF FC(F)(F)c1cnc2[nH]c(CCc3ccccc3Cl)nc2c1 587059421 PYOVUVBCHRNOLR-UHFFFAOYSA-N 325.721 4.415 0 1 EIAF CCc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080368 CFAQWUMIEXRAIT-UHFFFAOYSA-N 327.815 4.379 0 1 EIAF COC(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087676 NIHOIYCXUKKFSF-UHFFFAOYSA-N 325.755 4.151 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CCC(=O)[C@H](C3)C1 587207115 HVJSVXWAULDKQO-OLZOCXBDSA-N 339.394 4.455 0 1 EIAF COC(=O)Nc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587244133 XCTLDZUUIXVCQE-UHFFFAOYSA-N 337.166 4.110 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cn1 587245181 PJSMXTRZPJIGFL-UHFFFAOYSA-N 345.406 4.158 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(CC3CCCCC3)n1)O2 587392909 XJEFYSRQJAVKCI-IBGZPJMESA-N 339.439 4.061 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)(C1CC1)O2 587395714 GOHUSBXXOVQMIV-OAQYLSRUSA-N 332.403 4.329 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(C(C)C)cc31)O2 587414974 WZIYBFBOBVLULU-OAQYLSRUSA-N 337.419 4.344 0 1 EIAF CC[C@@]1(c2cc(F)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422861 GEIJWTJSHFZZJT-KUHUBIRLSA-N 330.330 4.026 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)(C1CC1)[C@@H](C2)C3=O 587437589 HKGYFLBNLHZQJU-AOMKIAJQSA-N 345.398 4.229 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1OC)CC2=O 587460757 HTTBNYNSDASXAV-INIZCTEOSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)ccc31)CC2=O 587471292 KUFVGACMXRKUHI-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1F)CC2=O 587471963 NKLXMQWDXHKGMT-AWEZNQCLSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3snnc3c1)CC2=O 587494197 JBVDHNRNOIGQNL-MRXNPFEDSA-N 340.404 4.056 0 1 EIAF CCOc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535928 PTOXENAJBXUBEL-HNNXBMFYSA-N 329.421 4.127 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587769365 FXIKFPBZTCGPEA-QGHHPUGFSA-N 349.247 4.169 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccncc2)N1 587775985 AUACQPWVUUPSSC-ABAIWWIYSA-N 349.247 4.191 0 1 EIAF CC[C@@]1(/C(C)=C/OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812478 ZMHVGHNZINWYNR-AJXQNLJNSA-N 342.252 4.278 0 1 EIAF CC(C)SC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587842638 VFZJABILWUFKPR-XPTSAGLGSA-N 332.282 4.305 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)NCC2 962145923 NFUVHJQTKGQXTD-IBGZPJMESA-N 341.817 4.413 0 1 EIAF C[C@H](O)c1cnc([C@H]2NCCc3cccc(-c4ccccc4)c32)s1 962673074 ZOCNQHQPADTVAQ-DJJJIMSYSA-N 336.460 4.099 0 1 EIAF CC(=O)[C@H](C)[C@@]1(c2ccccc2)c2ccc(F)cc2C[C@H]2CCCN21 963102647 RTNPSEXOEHUUOJ-ZAOYMGCJSA-N 337.438 4.315 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cnc2ccccc2c1 963611152 PZKXJCUDHLJMST-RCDICMHDSA-N 348.446 4.050 0 1 EIAF C1=C2c3ccccc3CC[C@@H]2N2C[C@H](OCc3ccccc3)C[C@H]2C1 1772639536 JJMUUUBBJGMAHR-VIZSFHNOSA-N 331.459 4.448 0 1 EIAF CCCCc1cc2c(s1)C[C@@H]1c3cc4c(cc3CCN1C2)OCO4 1857643275 HXKMQMXFMKWIDV-QGZVFWFLSA-N 341.476 4.475 0 1 EIAF COc1ccc(C(=O)Nc2cccc(Oc3ccc(O)cc3)c2)cc1 1857744900 IAMXEHGBSNXDBK-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF COc1nc2cccc([C@H](O)c3ccccc3)c2nc1-c1ccccc1 1662003 RROUYFJHEBBAKK-OAQYLSRUSA-N 342.398 4.387 0 1 EIAF Cc1cccc2c1-c1sc(C(=O)N(C)Cc3ccco3)cc1CO2 6804811 XPNHHVLZEHYUNI-UHFFFAOYSA-N 339.416 4.481 0 1 EIAF CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1[C@H](C)C1CC1 13487175 DPPFMUFJTVIRCS-CYBMUJFWSA-N 336.439 4.344 0 1 EIAF c1ccc2c(c1)C[C@@H]2CCN1CCN(c2cccc3ccoc23)CC1 13743702 GQQCJXMIPIPVNK-IBGZPJMESA-N 332.447 4.285 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@@H](C)[C@@]21C 15220120 JIUYRYQJXGQPHK-JVYRZBCBSA-N 332.440 4.396 0 1 EIAF biogenic C1=C(c2ccccc2)CC[C@H](CN2CCN(c3ccccn3)CC2)C1 27717642 JGNXULKJDFTLJS-LJQANCHMSA-N 333.479 4.087 0 1 EIAF O=C(O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1 28218135 HYTBIVFDTLBKQS-UHFFFAOYSA-N 337.375 4.057 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@H](O)C[C@@H]21 32257348 HWUVPJJFVCOYPE-KOUHRCEDSA-N 330.468 4.484 0 1 EIAF biogenic CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 35274165 UJXAGMVNACHDOG-RBUKOAKNSA-N 325.477 4.114 0 1 EIAF COc1ccc(CNc2cncc(Oc3ccc(F)cc3)n2)cc1 82094157 XMEHMOKESKGFCA-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF O=C(NC1CC1)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1 299821615 KADRRJKUIYFRME-UHFFFAOYSA-N 346.434 4.106 0 1 EIAF O=C(O)c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586894990 JUWCLCONBLGXLY-UHFFFAOYSA-N 344.370 4.087 0 1 EIAF Cc1ccc(/C=C/c2nc3cncc(Br)c3[nH]2)cc1F 587146808 XHTJSWGYXHKSGA-SNAWJCMRSA-N 332.176 4.338 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cc(Cl)cc1F)O2 587382366 QGUZKJXUMUXGME-KRWDZBQOSA-N 337.753 4.389 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587446670 CZVCCMSAWDUHIQ-FXCLAUTBSA-N 334.415 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1nn(CC)cc1Cl)CC2=O 587459518 DXAPRCAXUABUJS-SFHVURJKSA-N 348.830 4.095 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)nc(OC)c1)CC2=O 587462748 SFDWNVCWBSYHKC-HNNXBMFYSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1F)CC2=O 587467992 VQMFDVAJTSCXNA-SFHVURJKSA-N 330.355 4.199 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774570 WOXIEOYEGVCANX-APPDUMDISA-N 349.247 4.089 0 1 EIAF O=C(Cc1c[nH]c2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587876246 PZYMDLSNSZBGMG-UHFFFAOYSA-N 333.322 4.159 0 1 EIAF N[C@H](N=O)c1ccc2oc(C(=O)c3ccc(C(F)(F)F)cc3)cc2c1 957626365 DUTPLKDRXBGCLH-MRXNPFEDSA-N 348.280 4.406 0 1 EIAF COc1ccc2c3c([nH]c2c1)C(c1cnc2ccccc2c1)=NCC3 1772653817 BDGASTZSTNOGFJ-UHFFFAOYSA-N 327.387 4.118 0 1 EIAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@H]32)C1 2356382076 MAJGNSQEHSUITF-CHVLWZAPSA-N 348.527 4.222 0 1 EIAF Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 13834963 XQUVWCWPQPFZHR-UHFFFAOYSA-N 328.366 4.202 0 1 EIAF C[C@H](NCCCCc1ccccc1)[C@@H](O)c1ccc2c(c1)SCC2 34778363 LOJKFYVLCQYUSW-HRAATJIYSA-N 341.520 4.369 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 34801433 ZAZGULUMJMBMJD-QFWYRGITSA-N 331.500 4.009 0 1 EIAF COc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1F 35049755 IYNBUUHJWNFIIW-UHFFFAOYSA-N 325.343 4.335 0 1 EIAF FC(F)(F)c1ccc(NC(=S)OCCc2ccccn2)cc1 40896391 JKRYWPMKORTIEK-UHFFFAOYSA-N 326.343 4.057 0 1 EIAF COc1ccc(F)cc1-c1cc(NCc2cc(F)cc(F)c2)ncn1 82160253 GSIZZXPGWLNIFS-UHFFFAOYSA-N 345.324 4.182 0 1 EIAF O=C(O)[C@H]1CC[C@@H]2C[C@H](C(c3ccccc3)c3ccccc3)CCN2C1 84730949 RUPOWHOOSCMNSP-QHAWAJNXSA-N 349.474 4.394 0 1 EIAF CN1C(=O)CO[C@@H](c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 95603475 HLEJTSIQXVTYDP-SJORKVTESA-N 336.218 4.264 0 1 EIAF O=c1cc(N2CCOCC2)oc2c(-c3ccc(Cl)cc3)csc12 101661788 VRURTXZDUITNOO-UHFFFAOYSA-N 347.823 4.012 0 1 EIAF CN1CCC[C@@H](n2ccc3ccc(NC(=N)c4ccco4)cc32)CC1 169333651 BFMVWHGFXHJEHN-QGZVFWFLSA-N 336.439 4.329 0 1 EIAF CCCCCNCC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 169370681 JHHGXPAXHMPAAB-AQWMBLLYSA-N 337.504 4.151 0 1 EIAF CCCCCCNC[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@H]2CC[C@H]1O2 253654141 ZDJZFDUXRZUEIT-DDNJLQFQSA-N 337.504 4.151 0 1 EIAF CC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 473124120 WFMLWHWVTGVADY-UHFFFAOYSA-N 330.602 4.249 0 1 EIAF Cc1cc(Br)cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586902757 MJQSAYJPHYCVCB-HIFRSBDPSA-N 343.224 4.203 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587011086 CBPPMJQRTAFXNJ-UHFFFAOYSA-N 339.399 4.197 0 1 EIAF Oc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012369 ITPAGISOWFSTAP-UHFFFAOYSA-N 336.214 4.032 0 1 EIAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 587032831 BICKECHTZWKQRJ-SNVBAGLBSA-N 326.421 4.203 0 1 EIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnccc3[nH]2)cc1F 587151716 TXYRPLUPSADDAL-SFHVURJKSA-N 337.329 4.405 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587196588 WHPUOEVKJPTBSW-SECBINFHSA-N 335.238 4.483 0 1 EIAF O=c1ccc2ccc(OCc3cc4c5c(cccc5n3)CC4)cc2o1 587216378 AOSZSFZFQOMHHC-UHFFFAOYSA-N 329.355 4.019 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncc3ccccc13)O2 587380462 VBSMZHBSUWWSCF-MRXNPFEDSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccccn3)c1)O2 587393728 KRQFULGDCGQTHF-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccnc4)cc1)[C@@H](C2)C3=O 587434987 APOWBRHONZNHPM-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF CCOC(=O)C[C@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527502 XJHGOCKXXUMVFL-NRFANRHFSA-N 342.435 4.023 0 1 EIAF Cc1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c(Cl)c1 587638577 NUVCQKGRFNVYHA-UHFFFAOYSA-N 342.782 4.389 0 1 EIAF COC(=O)c1ccnc2[nH]c(/C=C/c3cccc4ccccc34)nc12 587966317 BIAFKUIXGFFORM-MDZDMXLPSA-N 329.359 4.068 0 1 EIAF O=C1CCC[C@@H]2CCC[C@]3(c4ccc(F)cc4C[C@@H]4CCCN43)[C@@H]12 963092616 ACRWSOXFNGPTCP-GCVJAVPDSA-N 327.443 4.211 0 1 EIAF COC(=O)C1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@@H](C)CC[C@]12CO 2356584291 ACTLTPVNNKNAFE-HGWQEYRNSA-N 346.467 4.137 0 1 EIAF COc1cc(C)cc(Oc2cc(C)cc3c2C[C@@H](C(C)(C)O)O3)c1 2356854277 RNHGITMMGIIZNJ-IBGZPJMESA-N 328.408 4.179 0 1 EIAF O=C1c2ccccc2[C@]2(c3ccc(Cl)c(Cl)c3)SCCN12 6583031 NSUCSRJBQABYAK-INIZCTEOSA-N 336.243 4.397 0 1 EIAF O=C(O)C[C@H]1CCN(CCC=C(c2ccccc2)c2ccccc2)C1 27721210 HRUMHKUKZIRPBA-GOSISDBHSA-N 335.447 4.305 0 1 EIAF CNCCC[C@H]1Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 28526675 BOPYYBXXVMRACX-HNNXBMFYSA-N 342.870 4.485 0 1 EIAF O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1c1ccccc1 32221099 KHFAOQSAXNMPBB-UHFFFAOYSA-N 325.367 4.171 0 1 EIAF O=C(O)[C@@H]1C[C@H](F)CN1CCC=C(c1ccccc1)c1ccccc1 45365929 BNOWYSCFNGUYGZ-ICSRJNTNSA-N 339.410 4.005 0 1 EIAF c1ccc2ncc(CN3CC[C@@H](c4nc5ccccc5[nH]4)C3)cc2c1 51048232 RXCMTLZGJFIYIZ-QGZVFWFLSA-N 328.419 4.101 0 1 EIAF biogenic COC(=O)C1=C(c2ccc(Br)cc2)C[C@@H]2CC[C@@H]1S2 101018922 JIRFQBTTXOAYCT-AAEUAGOBSA-N 339.254 4.044 0 1 EIAF CN(C)Cc1cc(OCCC[18F])ccc1Sc1ccccc1N 101510850 QEMMIBZQGYYMNU-AWDFDDCISA-N 333.463 4.220 0 1 EIAF CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(O)c(F)c2)cc1 169307919 TVENLJDYWYTMAB-UHFFFAOYSA-N 349.405 4.394 0 1 EIAF Cc1nn(C)c2nc3ccccc3c(NCc3ccccc3N(C)C)c12 169326613 VIDJWEPAUJRWRO-UHFFFAOYSA-N 345.450 4.108 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586880868 CMAVUMBRHKMBLM-AATRIKPKSA-N 334.162 4.030 0 1 EIAF FC(F)(F)c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cn1 586888097 WFUKSFUHHWCSHM-PXAZEXFGSA-N 329.325 4.348 0 1 EIAF C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586961347 HOKXVFBCZFOOKX-SSDOTTSWSA-N 342.321 4.364 0 1 EIAF Cc1cc(Cc2nc3cc(Cl)ncc3[nH]2)ccc1Br 586977846 UFJVCALWPGVLGT-UHFFFAOYSA-N 336.620 4.273 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(C(F)(F)F)c2[nH]1 587088525 OBTNIOMMAWOUCX-QMMMGPOBSA-N 331.288 4.331 0 1 EIAF Nc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1F 587139199 AXOZTMLXMUROOB-UHFFFAOYSA-N 340.583 4.367 0 1 EIAF OCc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587150882 UKJSVYCMPMLPPK-HXUWFJFHSA-N 347.393 4.396 0 1 EIAF Oc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159902 XXLUOGXDAHMVJD-UHFFFAOYSA-N 344.349 4.414 0 1 EIAF CN(C)c1ncccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 587196503 XUOWAXKJPSHUEJ-UHFFFAOYSA-N 344.418 4.270 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3ccc(OC(C)C)cc3[nH]2)c1C 587239880 ZTCBHRKXPANVRP-UHFFFAOYSA-N 337.423 4.148 0 1 EIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 587258556 NJXJFRMZAPTWAO-KRWDZBQOSA-N 344.418 4.135 0 1 EIAF CC1(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357533 UWYRITCLSZKOPG-PXNSSMCTSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cccc(Cl)c3C1)O2 587379996 NNOPLYSIONRJGB-IBGZPJMESA-N 327.811 4.124 0 1 EIAF CCCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580456 XYSXHGRTGPQFJJ-RXVVDRJESA-N 349.386 4.307 0 1 EIAF CCC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587813876 QFFZLRLIMRLHCE-RFAUZJTJSA-N 342.252 4.169 0 1 EIAF CC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587971101 SQDCCFOLKWXBDW-UHFFFAOYSA-N 332.403 4.195 0 1 EIAF Cc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)cc2C)C(=O)N3)nc1 653749342 HTQKLFBLKOJARU-YVLHZVERSA-N 329.403 4.495 0 1 EIAF CCC(C)=CC=C[C@@H]1C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2O1 2356435113 RMVHXWSDNTZFLY-XYBVVWFXSA-N 325.246 4.278 0 1 EIAF CCCCC[C@H](O)C=CC=C[C@H](CCCCCCC(=O)O)CNC 2356775630 OHARIIBWMLIIBY-OALUTQOASA-N 339.520 4.301 0 1 EIAF CC1(C)CC2=C([C](NCc3ccccc3)c3ccccc3N2)[C@H](O)C1 2356867241 RVDXBRKMEXHPJS-LJQANCHMSA-N 333.455 4.217 0 1 EIAF CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 222518 MLVBPASJEIAGND-SJORKVTESA-N 339.830 4.035 0 1 EIAF COC(=O)c1c(CCc2ccccc2)cc(O)c(CC=C(C)C)c1O 13340594 LYKKPZPBEBHSMF-UHFFFAOYSA-N 340.419 4.178 0 1 EIAF CNC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 13612053 ULODUALKWCAZLZ-UHFFFAOYSA-N 343.386 4.382 0 1 EIAF NS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CCC2)cc1 13744272 SEOHAKCJVHNLFU-UHFFFAOYSA-N 333.840 4.082 0 1 EIAF Cc1ccc(-n2ncc(Cl)c(Oc3ccc(F)cc3C)c2=O)cc1 66129661 KJHQVBSAZUFFEK-UHFFFAOYSA-N 344.773 4.434 0 1 EIAF O=C1NC(=O)/C(=C/c2cccc(OC3CCCCC3)c2Cl)S1 144063388 NEBNCADCRHAFSD-LCYFTJDESA-N 337.828 4.375 0 1 EIAF Clc1ccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)sc2c1 149955359 BAOBADUPYUALTB-OAHLLOKOSA-N 345.855 4.354 0 1 EIAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3ccccc23)cc1 169311761 PQNLWPBYQDOSKB-UHFFFAOYSA-N 330.387 4.128 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCC[C@H](c2ccccc2)C1 169704886 WKQXTHBIRKOSOW-HOTGVXAUSA-N 334.423 4.411 0 1 EIAF O[C@H]1C[C@H](c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc21 586904313 TUEBTJQJXCYYAJ-FZMZJTMJSA-N 347.187 4.034 0 1 EIAF Cc1nc(COc2cccc(-c3nc4ccc(O)cc4[nH]3)c2)cs1 587020562 VKNKPWUCNYDLPB-UHFFFAOYSA-N 337.404 4.279 0 1 EIAF Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Cl 587043886 OQKWTTDWCCSSQG-UHFFFAOYSA-N 329.812 4.236 0 1 EIAF CNc1c(F)cccc1-c1nc2ccc(Br)c(F)c2[nH]1 587135455 BMOXTCHUYYHKSX-UHFFFAOYSA-N 338.155 4.312 0 1 EIAF COc1ccc2[nH]c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)c2c1 587397962 ZHEGENKZHFXXSA-GOSISDBHSA-N 336.391 4.082 0 1 EIAF O=C1C[C@H](c2c(Cl)ccnc2F)Oc2c1ccc1c2CCCC1 587504295 GYMFVROAQVSITR-OAHLLOKOSA-N 331.774 4.459 0 1 EIAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522719 HKAZNRSHHJOWGD-IBGZPJMESA-N 336.387 4.059 0 1 EIAF O=C1C[C@H](c2cccc3nccnc23)Oc2c1ccc1c2CCCC1 587528350 XSBOXUNAOFMRAW-LJQANCHMSA-N 330.387 4.215 0 1 EIAF O=C1CC2(CCC3(CCCO3)CC2)Oc2c1ccc1c2CCCC1 587535558 KUNPJZXWMIPSIW-UHFFFAOYSA-N 326.436 4.393 0 1 EIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587772950 PTYRRUPHPAVKOV-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cncc(C)n1 587865802 JQBQIUYEULSVQX-UHFFFAOYSA-N 348.328 4.055 0 1 EIAF C=Cc1c(O)c(OC)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 685935770 OTPSUPTYLZWNMH-YPMLDQLKSA-N 326.348 4.010 0 1 EIAF biogenic,in-vitro COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)s1)N(C)[C@H](C)C2 962638665 XEZSABXRPFPQIH-QGHHPUGFSA-N 337.872 4.385 0 1 EIAF COc1cc(-c2ccnc3c2c(C)nn3-c2ccc(F)cc2)ccc1O 1857619557 ZVMZODPPNBTPCW-UHFFFAOYSA-N 349.365 4.249 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@](C)(CO)C=C3CC[C@@H]2C1(C)C 1857656787 RWLKTUWQTAYASA-QEUPLWARSA-N 334.500 4.489 0 1 EIAF Cc1cc(-c2ccc(F)nc2F)cn(Cc2ccc(Cl)cc2)c1=O 1911583946 OGJRLQIYBFYMPO-UHFFFAOYSA-N 346.764 4.199 0 1 EIAF C[C@]12CC=C(CC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2356859511 SVLVKYHISIXPST-GVNFVFRUSA-N 332.484 4.401 0 1 EIAF Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccccc2)c1 13813606 YEDUYRFINNIIKK-FGZHOGPDSA-N 342.442 4.364 0 3 EIAF aggregator N[C@@H](c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1 61927398 HNRBFJPEICXLLK-OAHLLOKOSA-N 330.457 4.367 0 3 EIAF O=C1CCC[C@H]2Cc3nc4cccc(Cl)c4cc3C[C@]23CCCN13 205706162 RPXCPQJHUDKUAJ-VBKZILBWSA-N 340.854 4.148 0 3 EIAF CN(C)CCCCOC(=O)[C@](C)(c1ccccc1)C1CCCCC1 13453132 WQILUXNQRKEYJI-OAQYLSRUSA-N 331.500 4.410 0 1 EIAF Cc1ccccc1NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12 28351425 LHDKKEPTCDNYSZ-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF CO/C(=C\c1ccc(OC)cc1)C(=O)Nc1ccc(C(C)C)cc1 73198591 VHKZSRNDVZGUSJ-UYRXBGFRSA-N 325.408 4.445 0 1 EIAF CCCCNc1ncc(C(=O)N[C@@H](C)CC)c(-c2cccc(C)c2)n1 82145983 YPLXATQAVCOJIW-HNNXBMFYSA-N 340.471 4.192 0 1 EIAF CCCCNC(=O)c1cnc(NCCCC)nc1-c1cccc(C)c1 82216714 NDWBODXJISISPF-UHFFFAOYSA-N 340.471 4.194 0 1 EIAF Clc1ccc2c(NCCCNCc3ccccc3)ccnc2c1 96928864 IQPPNWUZVXPERQ-UHFFFAOYSA-N 325.843 4.480 0 1 EIAF O=C(c1ccccc1)c1ccc(NC(=S)c2ccc(O)cc2O)cc1 103294914 SUMMIBQQYYTMID-UHFFFAOYSA-N 349.411 4.116 0 1 EIAF CCc1c(O)n(C2CCCCC2)c(SCc2ccccc2)nc1=O 103567797 PIAQHGDLRFNCEB-UHFFFAOYSA-N 344.480 4.309 0 1 EIAF CCCSc1nc([C@@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 169352535 KCDBCMCJBNMCPN-NSHDSACASA-N 338.423 4.401 0 1 EIAF Cc1ccc(Cl)cc1Nc1nccc([C@@H]2C=NN3C=CC=C[C@@H]23)n1 169720366 VKFGTQLGVBXMLC-YOEHRIQHSA-N 337.814 4.019 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC2CCCC2)N3C)cc1 202978626 PSQGGMTYCHMOPL-LMCOJAPRSA-N 327.468 4.047 0 1 EIAF COc1cc(OC)c2cc(-c3cn4nc([C@@H](C)F)sc4n3)oc2c1 205918207 GCVHDBIQRZNRCE-MRVPVSSYSA-N 347.371 4.252 0 1 EIAF Oc1ccc(-c2ccccc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586898382 JRZLTDHKBWCCBR-UHFFFAOYSA-N 342.358 4.184 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587087597 DWXVEOIYUHPPAG-LURJTMIESA-N 333.169 4.014 0 1 EIAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 587149648 OOUQOOQDGFNLCV-RQOWECAXSA-N 325.240 4.425 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1C)[C@@H](C2)C3=O 587452506 DLPNDPMCXKKJAX-YCRPNKLZSA-N 334.371 4.413 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@H]3CCOC3)C1)CC2=O 587493206 TYOMXABJALUVNV-WIEQDCTASA-N 344.451 4.275 0 1 EIAF CCCCOC(=O)CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521712 JGJZAVBVAGCXAP-OAQYLSRUSA-N 344.451 4.413 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2Cl)N1 587697160 MRLVJJYXDJMOND-UOWDBTKRSA-N 343.627 4.193 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccncc2)N1 587776130 BEGKPMODAZZSBZ-DIFFPNOSSA-N 349.247 4.191 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC[C@@H](C)O)N1 587826343 AIFBHLYGWOLUEO-MISXGVKJSA-N 344.268 4.105 0 1 EIAF CCc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 587951497 WSGJHRQWZNWWAC-AJHHTPGJSA-N 338.451 4.279 0 1 EIAF C/C(=C\c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C1CCCCC1 587967388 JGQZSGQETOTULY-JQIJEIRASA-N 338.499 4.298 0 1 EIAF COc1ccc(Cl)c(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 1857754593 KPDCODRGWBTFHX-KRWDZBQOSA-N 331.799 4.133 0 1 EIAF Cc1ccc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 15974655 KIFTWJGYULQCLV-UHFFFAOYSA-N 334.396 4.039 0 3 EIAF COc1cccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 61896511 SURPRXUHDKJVCL-MRXNPFEDSA-N 348.324 4.186 0 3 EIAF CCCCC/C=C\C[C@@H]1O[C@@H]1[C@H](O)/C=C\C/C=C\CCCC(=O)O 12496411 DWNBPRRXEVJMPO-PNMSFAEXSA-N 336.472 4.399 0 1 EIAF endogenous,in-man CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)O[C@@]4(C)CC[C@@H]32)C1 13111115 KCXUMZXWLRGXME-HGDYXINXSA-N 348.483 4.256 0 1 EIAF Cc1cccnc1/C=C/[C@@H]1[C@@H]2[C@@H](C)OC(=O)[C@@H]2C[C@@H]2CCCC[C@H]21 13673114 QCODSANLZWWTPZ-CNVBKGRDSA-N 325.452 4.407 0 1 EIAF CC(C)c1c2c(nn1C)C[C@@H](C)c1cnc(Nc3ccccc3)nc1-2 169702332 BSQCXNNGAGDKBQ-CYBMUJFWSA-N 333.439 4.404 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)Oc2ccccc2C)N3C)cc1 194850208 SUEIJSZDTKIXCI-VMBXEPDQSA-N 349.474 4.475 0 1 EIAF CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@H]1c1ccccc1 196481709 HQNABVZJQKSLJX-DLZWTQKGSA-N 331.463 4.064 0 1 EIAF Oc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc2c1CCCC2 586898655 RNLHDBDVGVYPHM-UHFFFAOYSA-N 348.381 4.139 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 586915746 HKKLHGYEOJXBDQ-DJJJIMSYSA-N 342.345 4.058 0 1 EIAF Cc1cc(Br)ccc1OCc1nc2cccc(F)c2[nH]1 586981561 QMNINEUZKUVOKD-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF Fc1cc2[nH]c(Cc3csc4nccn34)nc2cc1C(F)(F)F 587040435 LQYUIAQOIUWHQT-UHFFFAOYSA-N 340.305 4.021 0 1 EIAF COc1ccc(-c2nc3ccnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095653 PALRREPXHJYIAH-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1CCC(C)C)[C@@H](C2)C3=O 587431116 MWQFSEPWFSMYTA-MGPUTAFESA-N 325.408 4.032 0 1 EIAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC 587444509 ZTMGJYPKHHDDRU-IIBYNOLFSA-N 338.403 4.145 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(CSc1ccc(C)cc1)[C@@H](C2)C3=O 587450910 VYJWMPBDNBTNDM-JXFKEZNVSA-N 340.444 4.302 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cc1N)CC2=O 587461071 JQUUZJIXZNUBFX-LJQANCHMSA-N 345.826 4.461 0 1 EIAF O=C1C[C@@H]([C@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 587535907 PCYARWSMPQCKQK-JTHBVZDNSA-N 348.442 4.258 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)co1 587550388 ADYVCPUTRJJPRK-CRAIPNDOSA-N 342.734 4.342 0 1 EIAF Brc1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2n1 587959482 FGTOWGNELORYDL-RYUDHWBXSA-N 328.213 4.067 0 1 EIAF Cc1cc2c(cc1C)[C@@]1(CCCO2)NCCc2cc(C)c(F)cc21 962144451 LAJLFLUJZOUSNX-NRFANRHFSA-N 325.427 4.313 0 1 EIAF Cc1cc(C)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962719269 VQEDNGLKSCTHGX-FOIQADDNSA-N 342.483 4.291 0 1 EIAF COc1ccccc1NCc1cccc(CNc2ccccc2OC)n1 1772644044 XTPQTGRQSAYRQA-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF O=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCOCC1 1857546871 JJHSPFJYDJOPFA-UHFFFAOYSA-N 341.407 4.180 0 1 EIAF O[C@H]1Oc2ccccc2[C@@H](O)/C1=C/c1ccc(-c2ccccc2)cc1 1911571639 LANYTQSWWGHIRV-IVFQUJNMSA-N 330.383 4.181 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@@]12CCC[C@@H]1CC[C@H]4C2 2356374218 QJXRSIRLKXZTIH-IVZRFRNUSA-N 344.495 4.067 0 1 EIAF CC(C)c1c(O)ccc2c1[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356495128 GMSLFNUEEZTQCO-ITKAJJHTSA-N 332.440 4.101 0 1 EIAF O=[P@@]1(Oc2ccccc2)CC=C[C@H](COCc2ccccc2)O1 13661056 OQNLMWTUDJNHDX-WZONZLPQSA-N 330.320 4.430 0 3 EIAF FC(F)(F)c1cccc(N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 4980808 FIAOAIAXJRLEKI-PMPSAXMXSA-N 336.401 4.040 0 1 EIAF C/C=C/C(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12 13474365 LTFBHJRCRFWNSK-XVNBXDOJSA-N 335.403 4.343 0 1 EIAF CC(=O)Nc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2 13744829 UCPOVVIALHLMED-UHFFFAOYSA-N 333.359 4.203 0 1 EIAF CC(C)CNC(=O)/C=C/CCCC/C=C/c1ccc2c(c1)OCO2 14685590 PAXQNYHJDFKFEU-FIFLTTCUSA-N 329.440 4.317 0 1 EIAF endogenous,in-man Clc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28456237 NJZMJEBXGAEZRS-UHFFFAOYSA-N 333.782 4.045 0 1 EIAF CCc1ccccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 28460320 HBRLMBOTICTIEA-UHFFFAOYSA-N 336.443 4.404 0 1 EIAF CC[C@@H](c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)n1ccnc1 40977093 FVLLKKOZZXOOHZ-QFIPXVFZSA-N 347.462 4.386 0 1 EIAF CCCCN(CCCC)CCNC(=O)c1coc(-c2cccs2)n1 82086331 CZONXTVAUQGKQV-UHFFFAOYSA-N 349.500 4.035 0 1 EIAF NCCSC(c1ccccc1)(c1ccccc1)c1ccc(CN)cc1 84619786 DBSSHTOXOMYCNJ-UHFFFAOYSA-N 348.515 4.129 0 1 EIAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)C1 135962996 MHXKZCNHVYKVPQ-AKQDLLBKSA-N 331.500 4.199 0 1 EIAF CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC(C)C)cc12 141332457 TVZWPUIQVROGKP-UHFFFAOYSA-N 327.355 4.386 0 1 EIAF CC1(C)C=Cc2cc3c(=O)c(-c4ccc(O)cc4O)coc3cc2O1 238769776 JNISTLORAWJYTN-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF Clc1ccc(CN=c2nc3c(c[nH]2)CSc2ccccc2-3)cc1 473145101 IZTIVBLRUNDGFN-UHFFFAOYSA-N 339.851 4.437 0 1 EIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccnc(O)c2[nH]1 587015168 ZHYDZMBSWNURSR-UHFFFAOYSA-N 342.811 4.416 0 1 EIAF Fc1cnc(Cl)c2[nH]c([C@@H]3SCCc4sccc43)nc12 587036429 BDIWZNYJKFCMJH-LLVKDONJSA-N 325.821 4.191 0 1 EIAF CC[C@H](Oc1ccccc1F)c1nc2cccc(C(=O)OC)c2[nH]1 587154208 AEIILAMELULEEQ-AWEZNQCLSA-N 328.343 4.019 0 1 EIAF Fc1cc(Br)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587161316 PIKVAKLMIFERMU-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(Cl)cc1C)[C@@H](C2)C3=O 587417589 CKUQCSNEKDDFCA-LIRRHRJNSA-N 328.795 4.454 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O 587438688 PWUJVSDIYHJARS-KSFYIVLOSA-N 345.398 4.074 0 1 EIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C=O)c1O 587529798 DPNOROCKQUWDBV-IBGZPJMESA-N 336.387 4.098 0 1 EIAF Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629660 WCTBUGYIVRUEEB-UHFFFAOYSA-N 341.720 4.171 0 1 EIAF CCOCCOCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587778799 QDLAFPXJALEUJP-UHFFFAOYSA-N 328.437 4.267 0 1 EIAF COc1ccc(-c2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)cc1OC 587929480 VDLGJLXNKCYMRI-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCCCCC(=O)O)N1 962950449 NFUAVQJWIUTXQE-JLTOFOAXSA-N 328.456 4.343 0 1 EIAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)CC2)cc1O 1857593518 GHCHNEIIGUWODQ-UHFFFAOYSA-N 342.391 4.131 0 1 EIAF CCc1c(OC)cc(/C=C/c2cc(OC)cc(OC)c2)cc1OC 1857616719 WDQXEKWVZOUZLO-BQYQJAHWSA-N 328.408 4.454 0 1 EIAF CC[C@H]1C[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@H]4CCN(C2)[C@@H]13 2356787475 UYDUJNIYABBEKZ-OYZLTILVSA-N 340.467 4.014 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)c3cocc3C(=O)C[C@@H]21 2356790079 FBTVMHKPTOSTHZ-ZRSLWSEBSA-N 330.424 4.431 0 1 EIAF CC(C)C[C@@H](N)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61907418 GNTRUGPQWZSTCZ-SNVBAGLBSA-N 330.379 4.346 0 3 EIAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)[C@H](C)C2 14726808 HGBHJZOMIICOBK-BHVCSQLQSA-N 342.435 4.378 0 1 EIAF biogenic Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)[C@@H]3CCCCN3)c2c1 27523963 HATYYHRAZIDOHD-YOEHRIQHSA-N 338.373 4.046 0 1 EIAF CCN(c1nc2ccccc2[nH]1)C1CCN(CCc2ccccc2)CC1 29567675 UQYJDWQGPULEOJ-UHFFFAOYSA-N 348.494 4.096 0 1 EIAF CCCC[C@]12C[C@@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 34821558 GLRSTYUPPYHLCG-RTBURBONSA-N 331.843 4.479 0 1 EIAF Cn1c(-c2ccc(O)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40952632 WTQKKLLPYZOULB-UHFFFAOYSA-N 339.826 4.311 0 1 EIAF CCCCc1c(O)c2cccnc2n(-c2ccccc2SC)c1=O 102187343 VLTZQJJFLISSRB-UHFFFAOYSA-N 340.448 4.156 0 1 EIAF NC1CCC(NC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 103231487 WPFQVESEQAUSEG-UHFFFAOYSA-N 333.435 4.288 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1CCN1 118933932 KDUCRLNKTPIPLA-OLQSOZGJSA-N 329.528 4.288 0 1 EIAF CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@H]21 144440617 OWIWVULUMNNUKT-WOJBJXKFSA-N 345.446 4.055 0 1 EIAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)cc12 205351869 JCVIFVYRMKVCDU-UHFFFAOYSA-N 325.339 4.044 0 1 EIAF CCCN(CCC)CCCOc1cc(C)nc(-c2ccccc2)n1 299819767 CVACPWRGSFXFHS-UHFFFAOYSA-N 327.472 4.343 0 1 EIAF Cc1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 586904994 FQRMULMKWPSDQW-MRVPVSSYSA-N 338.194 4.203 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(Cl)c2[nH]1 586964338 YGTZKMIPWAUKNQ-LLVKDONJSA-N 334.832 4.264 0 1 EIAF N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587024653 DFUQNRIYMACJAV-JTQLQIEISA-N 331.750 4.345 0 1 EIAF COc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587050287 HOWUYKBRKCIMIF-UHFFFAOYSA-N 343.814 4.486 0 1 EIAF Cc1c(F)ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077309 VKFRSNZYDIOQRI-OAHLLOKOSA-N 329.762 4.281 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O 587418891 BMPGXBXKAWDUEY-FTKCAZAESA-N 340.341 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)co1)[C@@H](C2)C3=O 587456204 STXWJVNTVRSKLN-HRAATJIYSA-N 332.355 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@@H](C)O3)CC2=O 587494113 XBHKUNJLTKQLOD-ODXCJYRJSA-N 338.403 4.375 0 1 EIAF CCO[C@@H](C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516841 FJRZRUPTWDSDAK-DJJJIMSYSA-N 340.423 4.023 0 1 EIAF CC(C)C[C@]1([C@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523290 HVNZSMHKKIAULP-HTAPYJJXSA-N 341.495 4.315 0 1 EIAF COC(=O)[C@@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525653 QZFJRFSDYSMLSG-UWJYYQICSA-N 342.435 4.023 0 1 EIAF C[C@]1(c2ccc3c(c2)CCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587536926 YQQSDRJUPYFJBV-JOCHJYFZSA-N 334.415 4.381 0 1 EIAF Cc1ccoc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587829001 POWHZBPHZLSGFX-QLJPJBMISA-N 338.220 4.287 0 1 EIAF COc1cccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 587929465 BFOZEOAIIUNUHR-UHFFFAOYSA-N 335.176 4.064 0 1 EIAF O=S1(=O)c2ccccc2CN1c1cccc(Oc2ccccc2)c1 1772613075 VIQXQPOYEWUQGH-UHFFFAOYSA-N 337.400 4.188 0 1 EIAF O=C1Nc2cc(Cl)ccc2/C1=C/c1[nH]nc2c1Cc1ccccc1-2 1857654784 LZJWSPDGFNHTMY-ZROIWOOFSA-N 333.778 4.127 0 1 EIAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]32)C1 2356382077 MAJGNSQEHSUITF-DOCRHMGXSA-N 348.527 4.222 0 1 EIAF CC(C)c1c(O)ccc2c1C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356527091 WDDXJPVDQFRGNC-YSSFQJQWSA-N 330.424 4.251 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)C[C@H]1OC(=O)C(C)C 2356658138 HVFJSBZJDKFFKY-UWWQBHOKSA-N 334.456 4.056 0 1 EIAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@]1[C@H](C)c1ccccc1 2356760646 BLLGOPLLCDRJQD-IUTJQLAGSA-N 329.484 4.436 0 1 EIAF Cc1ccc2c(c1)[C@@H](N1CCNC(C)(C)C1)C[C@@H]2c1ccc(F)cc1 22938055 YGBDHZJMOPGGDK-CTNGQTDRSA-N 338.470 4.395 0 1 EIAF CN(C)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]2OC(=O)c2ccccc2)[C@@H]1c1ccccc1 27526380 RNZUABSIOANGLF-LILSUDLASA-N 349.474 4.356 0 1 EIAF CCCc1c(OCCCCCCCC(=O)O)ccc(C(C)=O)c1O 27756328 FGHCFIGUBUNXBE-UHFFFAOYSA-N 336.428 4.351 0 1 EIAF CCOc1ccc(-n2c(SC)nc3sc(C)c(C)c3c2=O)cc1 28949304 RZLLUJDNTQVWHM-UHFFFAOYSA-N 346.477 4.185 0 1 EIAF CCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(C)c(Cl)c1 50704591 IWDWAXSDYCHGEU-UHFFFAOYSA-N 327.815 4.127 0 1 EIAF CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)cn2)cc1 66258524 NGIUAGMCGCGBQN-OAHLLOKOSA-N 342.439 4.118 0 1 EIAF Fc1ccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)cc1 82067541 CSYSDWYMIQGZPW-UHFFFAOYSA-N 331.297 4.298 0 1 EIAF CC[C@@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103183778 YTHFHWXMMDQLSX-OAHLLOKOSA-N 339.483 4.087 0 1 EIAF C[C@@H](Nc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1 169344363 CNLFZJZWNUVEJW-MRVPVSSYSA-N 348.237 4.274 0 1 EIAF COc1cc2c(cc1O)[C@@H]1Cc3sc(CC4CC4)cc3CN1CC2 210432443 BXKNYHFWOFQBGA-KRWDZBQOSA-N 341.476 4.070 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(CO)[C@@H]3CC[C@@]12C 253635607 SHRUZOYPFWLBFR-HUJIQXBTSA-N 332.484 4.243 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586880718 BFLMMNBOEPTTBE-WAYWQWQTSA-N 334.162 4.030 0 1 EIAF Oc1ccc(C2(c3nc4cc(Br)cc(F)c4[nH]3)CC2)cc1 586895875 CJHXLPQRYBTLIN-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1Cl 587058405 FTRKTPLTAUEVCH-MRXNPFEDSA-N 325.843 4.338 0 1 EIAF CC(C)(C)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2n1 587068826 FLBBXLNCDIWLEY-CYBMUJFWSA-N 342.874 4.194 0 1 EIAF CCc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076745 OPHHFBHWBMXJFZ-KRWDZBQOSA-N 325.799 4.396 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587249457 ASICJCIIHPCBLI-UHFFFAOYSA-N 347.349 4.316 0 1 EIAF CC(C)(C)Sc1ccc(F)cc1-c1ccc2c(O)nc(O)nc2n1 587368778 WUNYLDUXCPIOPD-UHFFFAOYSA-N 345.399 4.133 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1F)[C@@H](C2)C3=O 587425601 FTEGWHLLIIRVLB-LHSJRXKWSA-N 349.361 4.114 0 1 EIAF CC[C@]1(c2cc(F)cc(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427148 GZXPECOHYKWCNQ-DNVCBOLYSA-N 330.330 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O)cc1O)CC2=O 587460474 MVXDCIRSXRVUMJ-KRWDZBQOSA-N 348.782 4.116 0 1 EIAF O=C1C[C@H](c2cccn2-c2ccncc2)Oc2c1ccc1c2CCCC1 587513429 SGOXUDCVFFNUJE-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587536920 YOSYCSIWFOFXAW-IBGZPJMESA-N 336.387 4.043 0 1 EIAF Cc1cc(O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607312 HUWLTRCLFABZAV-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF O=C(c1ccccc1OC(F)F)n1nc2cc1Oc1ccc(F)cc1-2 587873975 NQVRGEMYCSDUGJ-UHFFFAOYSA-N 346.264 4.085 0 1 EIAF CC=C1CN2CC[C@H]1C[C@H]2[C@@H](F)c1ccnc2ccc(OC)cc12 1857549292 HAKUILZBSSTRRO-GKCIPKSASA-N 326.415 4.295 0 1 EIAF CCN(C(=O)[C@@H](C1CC1)[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 203466894 MFLJYGRHIMDBTN-OALUTQOASA-N 343.854 4.453 0 3 EIAF Cn1c(-c2ccccc2)c(CCNC(=O)C2CCC2)c2ccccc21 1645267 UFWPPEAPUSUWND-UHFFFAOYSA-N 332.447 4.304 0 1 EIAF Cc1cccc(Cc2nc(SC3CCCCC3)n(C)c(=O)c2C)c1 6523082 XATFFVUFGLZHQT-UHFFFAOYSA-N 342.508 4.413 0 1 EIAF O[C@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCCN21 13491120 ADCPRYKGPAHETD-OAQYLSRUSA-N 348.833 4.153 0 1 EIAF c1cc2c(cc1Oc1coc(Oc3ccc4c(c3)OCO4)c1)OCO2 14679095 MMLOIDVVVFYPSW-UHFFFAOYSA-N 340.287 4.322 0 1 EIAF biogenic CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2C)n1 27439174 QQMCKDZJCQAODG-UHFFFAOYSA-N 325.460 4.167 0 1 EIAF CCc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)O[C@@H](O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 34802824 FJCVOAYGPXWBHA-XIDBJWDZSA-N 341.495 4.453 0 1 EIAF O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)ccc12 73224159 KNATUFMEBGYQGU-UHFFFAOYSA-N 348.446 4.011 0 1 EIAF CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82175952 YYJPCCLQTFVNQS-LLVKDONJSA-N 326.375 4.457 0 1 EIAF O=c1cc(-c2ccccc2)c2ccccc2n1C[C@H]1CN2CCC1CC2 95586597 GIVLVDCIMORORF-LJQANCHMSA-N 344.458 4.010 0 1 EIAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2)N3C)cc1 100728341 HIQHQNWJRSNELD-ZIBCJSCZSA-N 335.447 4.167 0 1 EIAF COC(=O)/C1=C\CC/C(C)=C\[C@@H]2OCC(C)=C2CC[C@@]2(C)O[C@@H]2CC1 169293013 NVBLQPUZABQFTK-OTZHEMHSSA-N 346.467 4.259 0 1 EIAF FC(F)(F)c1cccc(N2CCN(C[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)c1 169294124 FIAOAIAXJRLEKI-OAGGEKHMSA-N 336.401 4.040 0 1 EIAF COc1ccc(Nc2c(-c3cccc(O)c3)nc3ccccn23)cc1 473135242 MTLNRGHKFIESRL-UHFFFAOYSA-N 331.375 4.459 0 1 EIAF O[C@@H]1C[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 586903965 RKASKHRWCXQOCU-WCQYABFASA-N 334.297 4.031 0 1 EIAF FC(F)(F)c1cc2nc(C3=COCC3)[nH]c2cc1Br 586913158 NOJXXBNVFFBCLW-UHFFFAOYSA-N 333.107 4.105 0 1 EIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)cnc3[nH]2)cs1 587021911 REFOIHZIJKMZNG-UHFFFAOYSA-N 349.341 4.404 0 1 EIAF Cc1cc(C)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 587041598 ZVLYVZULMKXTNP-ZDUSSCGKSA-N 333.457 4.162 0 1 EIAF N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl 587058612 XYFOTZYCVOQBBH-SNVBAGLBSA-N 341.629 4.161 0 1 EIAF C[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C 587192511 UXKLLWUCWUKVHS-LBPRGKRZSA-N 336.464 4.332 0 1 EIAF CC(C)(C)OC(=O)NC[C@H]1CCCc2c1nc1cccc3c1c2CC3 587213283 PZHDCSOSPWZMCP-CQSZACIVSA-N 338.451 4.278 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(C)c(C)c1)O2 587397564 XGAWBQQXPIUVJQ-IBGZPJMESA-N 347.418 4.291 0 1 EIAF CC/C=C\CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525259 UDKWORAYPBKCIJ-NYPGBQQYSA-N 342.435 4.189 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587785749 OLLFVQFMCCHDHC-RYUDHWBXSA-N 344.773 4.299 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc[nH]c32)N1 587801085 DIMSKKAJLZQCBF-DYZYQPBXSA-N 349.247 4.030 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NC1CCCCC1 587872587 OUJIKJMNEBJRTQ-UHFFFAOYSA-N 347.459 4.143 0 1 EIAF CCN=c1cc(-c2nc(-c3ccc(SC)cc3)cs2)cc[nH]1 587926412 YEZJYTQKZYTKTO-UHFFFAOYSA-N 327.478 4.448 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C)c(C)c4[nH]1)(C3)C2 587951387 UAWKZVRURQINAK-XBLGPDGASA-N 338.451 4.333 0 1 EIAF Brc1ccc(Br)c2[nH]c(CC3CC3)nc12 587958949 ILDBCVHRVZGJHY-UHFFFAOYSA-N 330.023 4.040 0 1 EIAF Cc1cc(C)n(C(=O)c2ccc(-c3ccc(Br)cc3)o2)n1 1857654727 QEPWRYSIRSRCAR-UHFFFAOYSA-N 345.196 4.211 0 1 EIAF Fc1ccc([C@H](Cn2cncn2)OCc2ccccc2Cl)c(F)c1 1857771506 NFNVSGLYUPCGLE-KRWDZBQOSA-N 349.768 4.168 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C=C[C@]2(C)O)Oc2ccc(O)cc2C[C@]13C 2356799505 UNJQRWVMOXUQOP-IIRJJKLZSA-N 328.452 4.075 0 1 EIAF Cc1cnc(CNc2ncnc3ccc(-c4ccccc4C)cc23)cn1 4264621 UMTYOTUYKXEPIW-UHFFFAOYSA-N 341.418 4.316 0 1 EIAF CCn1c2ccccc2c2nnc(NCc3ccccc3Cl)nc21 6781647 HPCACPVDQXUONB-UHFFFAOYSA-N 337.814 4.265 0 1 EIAF COc1cc2c(cc1C(C)C)C(=O)O[C@@]1(O)C(C)(C)CCC[C@@]21C 13412444 MCRAIDDVIKPKMP-PMACEKPBSA-N 332.440 4.145 0 1 EIAF biogenic CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3cccc(Cl)c3N2O1 13437107 IRIGJBAWLKWASO-MAUKXSAKSA-N 328.843 4.057 0 1 EIAF CN(C)CCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454287 RNSJXWMAYUTWOI-UHFFFAOYSA-N 337.419 4.181 0 1 EIAF CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccccc2)cc1 13529831 GKBWGMHGJMOLAZ-UHFFFAOYSA-N 341.418 4.007 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@@H](CO)C3 14443152 YSYQTDVOZWSRET-CXICGXRGSA-N 334.500 4.181 0 1 EIAF O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1 28889293 ANNXZFGXMGNRDN-DHZHZOJOSA-N 339.391 4.224 0 1 EIAF in-vivo O=C(CC1CCNCC1)Nc1ccccc1-c1cccc(Cl)c1 49049696 GDOREWDWKGBUPI-UHFFFAOYSA-N 328.843 4.335 0 1 EIAF N=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 49089433 GZEHRKGJMKCWPS-PHUAOCSASA-N 330.796 4.101 0 1 EIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 96329053 HPSZQGQRLMRJLO-NDUYDNQLSA-N 334.500 4.322 0 1 EIAF C[C@H]1CCCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103182146 KWXJMCZGRVCNIM-AWEZNQCLSA-N 339.483 4.087 0 1 EIAF Cc1ccncc1N1CCN(c2cc3c(Cl)nccc3s2)C1=O 148632584 SSCWVAMSDPREDJ-UHFFFAOYSA-N 344.827 4.100 0 1 EIAF CCCC[C@@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169325730 FGOHBHQHFAYLCZ-LIKLGYRJSA-N 336.472 4.089 0 1 EIAF CCC(=O)N[C@@H]1CCCc2c(-c3ccc(F)c(Cl)c3)cncc21 205706998 OKWHVLQKGYSJER-QGZVFWFLSA-N 332.806 4.445 0 1 EIAF CC(C)(C)c1cc(-c2cn3c(n2)[S@@](=O)C=C3)cc(C(C)(C)C)c1O 253636466 LWDXRRNLIWVQMG-DEOSSOPVSA-N 344.480 4.400 0 1 EIAF C/C(=C/C(=O)O[C@@H](C)c1ccccc1)O[P@]1(=O)O[C@@H](C)[C@@H](C)O1 299807059 PAQDNXSEENNJQV-QWHIMLIOSA-N 340.312 4.143 0 1 EIAF Oc1ccc(C2(c3nc4cc(F)cc(Br)c4[nH]3)CC2)cc1 586898327 GQVQWKSFJLNFAE-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF COc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Cl 586905109 GVIDJTZAXJCNCE-GFCCVEGCSA-N 332.787 4.163 0 1 EIAF Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)oc2c1[C@@H](O)CCC2 586905582 URZIYWLQLKDAMB-LURJTMIESA-N 340.276 4.057 0 1 EIAF Cc1ccc(-c2nc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cs2)o1 587017762 YWUMQZUDWOKBGT-UHFFFAOYSA-N 343.339 4.092 0 1 EIAF Fc1c(F)c(F)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1F 587081755 ZWUDGKOCHDDQTG-QMMMGPOBSA-N 342.679 4.449 0 1 EIAF CCOc1cc(/C=C/c2nc3ccc(O)cc3[nH]2)ccc1OC(F)F 587130922 QTUWSBJNXCTAPK-XBXARRHUSA-N 346.333 4.439 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(C)C)cc1)O2 587398410 COFHIASNLGATER-OAQYLSRUSA-N 339.435 4.493 0 1 EIAF COc1cccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)c1 587637033 AFSCDOZYFWLZCQ-UHFFFAOYSA-N 345.301 4.043 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587931237 RJKDFVGJAQIICA-YVEFUNNKSA-N 347.340 4.431 0 1 EIAF C/C(=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCCC1 587966217 BKXUDZSTFUEEDG-SSZFMOIBSA-N 339.483 4.379 0 1 EIAF CCOc1ccc(C(=O)[C@H](C)c2ccc(OC)c(OC)c2)c(OC)c1 1857759677 PHXKXYLWRMXNSW-CYBMUJFWSA-N 344.407 4.098 0 1 EIAF COc1ccc2c(c1C=CC(C)(C)O)O[C@@H](c1ccccc1)CC2=O 2356386328 DSOKHRJRTZPRBU-LJQANCHMSA-N 338.403 4.186 0 1 EIAF Cc1cccc(Nn2c(S)nc(C)c2-c2cccc(C(=O)O)c2)c1 3641477 XAYRPKXWCSQXRQ-UHFFFAOYSA-N 339.420 4.029 0 1 EIAF CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 6748753 HDYINDVSNZUGSE-UHFFFAOYSA-N 335.432 4.356 0 1 EIAF Cc1ccccc1CN(C[C@@H](O)C(F)(F)F)c1cccc(F)c1 13490880 KSXYSMZIGGNOHL-MRXNPFEDSA-N 327.321 4.064 0 1 EIAF C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccccc1O 19327164 HCHDIFBEKSGQSP-SRZZPIQSSA-N 338.436 4.112 0 1 EIAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(Cl)cc2)C(=O)CO)cc1 27525373 LBVCUGNERBKWRS-FQEVSTJZSA-N 346.854 4.405 0 1 EIAF CC(C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28478182 BOSMQQXXGJUYGO-UHFFFAOYSA-N 345.798 4.222 0 1 EIAF COCCSc1ncnc2sc3c(c12)-c1ccccc1CC3 35875965 ZDEHQXSEBHVZAR-UHFFFAOYSA-N 328.462 4.195 0 1 EIAF O=C(CCc1ccccc1)[C@@H]1Cc2c(ccc3ccccc23)OC1=O 72171008 STOIDMBXFUNARG-IBGZPJMESA-N 330.383 4.119 0 1 EIAF c1ccc(CNc2cncc(Oc3cccc4cccnc34)n2)cc1 82068815 ZKUAFKJOSYWXFD-UHFFFAOYSA-N 328.375 4.429 0 1 EIAF c1cc(Oc2ccncc2)c2nc(-c3nnc4ccccn34)ccc2c1 96175041 LHYMZRAAHMXXAW-UHFFFAOYSA-N 339.358 4.132 0 1 EIAF COc1ccc([C@H](O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 100834345 AFWLTZMAQCSANY-NPDDRXJXSA-N 337.463 4.426 0 1 EIAF O=C(O)c1ccc2c(c1)nc(NCc1ccncc1)c1ccsc12 167744808 DAEUVWUIFAPUHT-UHFFFAOYSA-N 335.388 4.155 0 1 EIAF C[C@@H](c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21 169348916 LRPBZJNZJSRNQB-JTQLQIEISA-N 338.354 4.300 0 1 EIAF COc1c(-c2ccc(Br)cc2)oc2ccccc2c1=O 299828944 OVHDPZMPNBUQBJ-UHFFFAOYSA-N 331.165 4.231 0 1 EIAF C[C@H](CC(=O)O)n1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2n1 584630848 VBTUKZLWVNVVNS-GSVOUGTGSA-N 342.997 4.081 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 586889955 OGCGRWZMPYIUKV-ZBEGNZNMSA-N 345.240 4.471 0 1 EIAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 586909133 WAHIJYYRCFLKMY-VIFPVBQESA-N 334.297 4.163 0 1 EIAF CCc1ccc(-c2nc(-c3nc4cc(OC)ncc4[nH]3)cs2)cc1 587016089 PDJUNWLPFRYRCA-UHFFFAOYSA-N 336.420 4.319 0 1 EIAF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3ccsc3)nc1-2 587025054 FGXZNGRHBPGILV-UPHRSURJSA-N 330.722 4.209 0 1 EIAF CC(C)Oc1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069345 JEXMEXANGJZURZ-CQSZACIVSA-N 343.858 4.289 0 1 EIAF FC(F)(F)Sc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085745 FHLIOWDOTWNELS-UHFFFAOYSA-N 330.722 4.285 0 1 EIAF FC(F)(F)c1cnc2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587109117 SLGIKSPHTYTUEB-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF COc1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587133652 XYZKVSAAPKJXMV-UHFFFAOYSA-N 339.153 4.248 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3ccccc13)O2 587382460 PXYCEZJPJMHTSC-HNNXBMFYSA-N 326.783 4.418 0 1 EIAF CCn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578024 PNXYQHVJFVFFTC-WIYYLYMNSA-N 349.386 4.091 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]2C1CCC1 587603999 QMAHLNMFMLURIP-YWMUFLPLSA-N 336.387 4.303 0 1 EIAF Cc1cncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587772663 FPRGXJWFKXPZCC-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587831680 XWAWVPFMOFLJGA-FVMDXXJSSA-N 338.220 4.287 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cnn3ccccc23)N1 962962653 YGWNJIWDRORAFX-QKKBWIMNSA-N 330.435 4.003 0 1 EIAF Cc1sc2c(c1C)CCN[C@@]2(c1ccncc1)c1ccc(F)cc1 963026963 PRWCLINRJWQCAC-HXUWFJFHSA-N 338.451 4.337 0 1 EIAF Cc1sc2c(c1C)CCN[C@@]21[C@H]2CC[C@H]1N(Cc1ccccc1)C2 963031492 UPUOZUAFNBVAAG-FBBABVLZSA-N 338.520 4.000 0 1 EIAF CCCN1[C@H](c2cccnc2C(=O)OCC)c2ccccc2C[C@H]1C 963226317 HRBRELVWZCWKBH-QRWLVFNGSA-N 338.451 4.004 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc(C(C)(C)C)s1 963606542 IEGIAVSFVTVBLN-GTNSWQLSSA-N 346.496 4.081 0 1 EIAF COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccoc3)oc2C)c1 12029860 OKXJTZDKUALSNI-CYBMUJFWSA-N 326.396 4.445 0 3 EIAF Cc1noc(C)c1-c1ccc(C(=O)NCc2ccncc2)c2occc12 61895873 PISMKKBTPKSDPC-UHFFFAOYSA-N 347.374 4.030 0 3 EIAF COc1ccc(-c2csc(Nc3cc(C)ccn3)n2)c(OC)c1 13141370 DLYBPINMHHWXEG-UHFFFAOYSA-N 327.409 4.274 0 1 EIAF F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl 29550598 SAICWSYGROSMQG-FZMZJTMJSA-N 334.660 4.373 0 1 EIAF Cc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=S)cc1 64540214 QYDFGAUIIKRONV-UHFFFAOYSA-N 348.221 4.384 0 1 EIAF O=C(O)CSc1ncnc2cc(-c3ccc(Cl)s3)sc12 72126223 UOAGMKONDXWVFY-UHFFFAOYSA-N 342.854 4.250 0 1 EIAF COc1cc([C@@H](C)c2ccc3[nH]cc(C=O)c3c2)cc(OC)c1OC 95580984 NMPKKRVYLQSWBB-LBPRGKRZSA-N 339.391 4.158 0 1 EIAF Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)cc1 103229440 DPLPUMMUGNDLHG-UHFFFAOYSA-N 330.634 4.286 0 1 EIAF CCC(=O)N1[C@H](c2ccco2)CC(=O)[C@H](C(C)C)[C@@H]1c1ccco1 103280401 TWQXBWZOUPOFDV-AGRHKRQWSA-N 329.396 4.139 0 1 EIAF CC(=O)c1ccccc1-c1ccc(CC(=O)NCc2ccco2)cc1 169351974 KCGHXSLGXOSSIE-UHFFFAOYSA-N 333.387 4.008 0 1 EIAF Brc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2n1 586887506 UOHCBWSVJNAGHA-SJCJKPOMSA-N 340.224 4.092 0 1 EIAF O=c1ccc2cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)ccc2o1 586916627 OLHWVIOSZSNDSY-UHFFFAOYSA-N 332.146 4.038 0 1 EIAF Cc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1C 587006297 DFXRANBTGVQLPC-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1C 587041061 VBDBXOACDZLUQY-AWEZNQCLSA-N 333.457 4.162 0 1 EIAF Cc1c(Cl)ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 587255106 YDAXEEXZVJPTRT-UHFFFAOYSA-N 335.798 4.061 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426527 DCCXIXPAVBRYLC-WWMYMODYSA-N 338.378 4.288 0 1 EIAF CC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521664 DBWGBGJHVICJKQ-HRAATJIYSA-N 326.436 4.439 0 1 EIAF CC1(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(C)(C)N1 587527739 WJXUCRXNBYLBJI-UHFFFAOYSA-N 327.468 4.210 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)co1 587550395 ADYVCPUTRJJPRK-MAUKXSAKSA-N 342.734 4.342 0 1 EIAF Cc1ccncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774679 NTGKYDFIWJZFQO-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C)nn1 587860570 XEUGKYWGQYTYHD-UHFFFAOYSA-N 349.221 4.343 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(F)c1 587862324 JZWUYXUTENIGBJ-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF Clc1ccc2c(c1)CCN[C@@]2(c1ccco1)c1cccnc1Cl 963389607 CJMKRTSWYCBFBB-GOSISDBHSA-N 345.229 4.419 0 1 EIAF FC(F)(F)c1ccc(-c2ccc(-c3cn4ccc[n+]4[nH]3)cc2)cc1 1772641473 JHHCMWGLSWFWEU-UHFFFAOYSA-N 328.317 4.206 0 1 EIAF CCCCCC=CC[C@@H](O)C=CC=CCC[C@@H](O)CCCC(=O)O 2356315954 ZMZNVSWCIRFLBV-RTBURBONSA-N 338.488 4.382 0 1 EIAF C[C@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc(F)cc2)=NO1 13478336 KIKXTTZQVNIEHU-GOSISDBHSA-N 341.317 4.055 0 3 EIAF COc1ccc([C@](C)(O)c2nc(-c3ccccc3OC)cs2)cc1 61895539 PYXMGBPDRLEBMH-IBGZPJMESA-N 341.432 4.083 0 3 EIAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3cccc(Cl)c3N2O1 13437111 IRIGJBAWLKWASO-CRAIPNDOSA-N 328.843 4.057 0 1 EIAF CCC[C@H](CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1 13835069 PLFJLRCHPAGOKH-MRXNPFEDSA-N 325.518 4.196 0 1 EIAF COc1ccc(CCC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1 14557845 XRPKPDHAYAOPTH-UHFFFAOYSA-N 338.403 4.401 0 1 EIAF biogenic C[C@@]12Cc3c[nH]nc3C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 17302147 OIIHTRLQCQVVQC-DUWFINSESA-N 326.484 4.343 0 1 EIAF CCN1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(OC)cc1 28634792 CJAJZEJEOWWSDG-RXVVDRJESA-N 336.435 4.047 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CCC4=C(O)c5nocc5C[C@@]43C)[C@H]1CC[C@@H]2O 31829845 YOGRZKPYNPSDSH-DTQDHJKZSA-N 329.440 4.103 0 1 EIAF CC1=CC(=O)C[C@@H]2[C@]1(C)CC(=O)[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 53229969 WCWSAYZIPUPYKD-ROGALXCASA-N 334.456 4.034 0 1 EIAF biogenic CO[C@@H]1O[C@]2(CCN(CCCCc3ccccc3)C2)c2ccccc21 84730057 FYTIWXPCVXQIHB-YADHBBJMSA-N 337.463 4.286 0 1 EIAF OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1ccc(F)cc1 101023304 UTSVFENYHGEOSM-RTBURBONSA-N 345.845 4.494 0 1 EIAF S=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 164220804 UENKYQJNULJIEO-UHFFFAOYSA-N 344.568 4.100 0 1 EIAF CC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@H]1C2 169372101 WCMXBAGNWHQRAC-WIMAKRHOSA-N 342.479 4.410 0 1 EIAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(F)cc3C)c2n1 473169315 NHCGSXNAYIKGAH-UHFFFAOYSA-N 347.397 4.159 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ccc(F)cn3)nc3ccc(O)c1c23 586988935 SSZRBJIAIQPNGP-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587066024 FAFAKFOZPQNQHT-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF Fc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F 587135262 WHEKAMJFHBNPFZ-UHFFFAOYSA-N 334.244 4.353 0 1 EIAF COc1nccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587242725 YDXNRVPWZAKHRV-UHFFFAOYSA-N 338.411 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc(-c3ccccc3)c1)O2 587395842 UUZGXPSJHWPUBC-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Cl)cc1F)[C@@H](C2)C3=O 587423964 MEKNRZPXQFCOIP-DYZYQPBXSA-N 336.721 4.116 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)o1 587552292 PTLIFFGTQUFGLZ-YJBOKZPZSA-N 342.734 4.342 0 1 EIAF Cc1c(O)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612421 VFNMZRMBEDECBE-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(C)(C)C 587868274 YKZQTOQVXNACMT-UHFFFAOYSA-N 341.333 4.049 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cnc2ccccc2c1 963611149 PZKXJCUDHLJMST-FPTDNZKUSA-N 348.446 4.050 0 1 EIAF Cn1ccc(Cn2cc(-c3ccc(Cl)c(C(F)(F)F)c3)cn2)n1 1772570007 FDYFJXNCCIBNPD-UHFFFAOYSA-N 340.736 4.004 0 1 EIAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2ccc(F)cc2)N1c1ccc2nc[nH]c2c1 1772580014 GFCRVUPHSAFWTR-HLIPFELVSA-N 345.377 4.148 0 1 EIAF CCc1ccc(C2=C(c3ccc(Br)cc3)C(=O)OC2)cc1 1857656144 ZDPAEPSDZQVAGN-UHFFFAOYSA-N 343.220 4.479 0 1 EIAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC(=O)O1)C2 6040401 OLJRAFPOAGIZKX-XGBBNYNSSA-N 334.456 4.170 0 1 EIAF biogenic O=S(=O)(Nc1cccc2cc(Cl)[nH]c12)c1ccc(Cl)cc1 28233847 BZEQMUFZZLPAIO-UHFFFAOYSA-N 341.219 4.276 0 1 EIAF O=c1[nH]nc(Cc2ccccc2Cl)c2cc(Cl)c(Cl)cc12 34821313 FLOWDAQGLCSFJV-UHFFFAOYSA-N 339.609 4.474 0 1 EIAF c1ccc(CN2CC[C@]3(C2)Oc2ccccc2[C@H]3n2cccc2)cc1 40723597 OKRJBGPCTCAZPM-FGZHOGPDSA-N 330.431 4.115 0 1 EIAF COCCCNc1nccc(-c2c(C)[nH]c3ccc(Cl)cc23)n1 72108819 NTXPFFQYJAPSSK-UHFFFAOYSA-N 330.819 4.035 0 1 EIAF COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1 72186287 GYIVISSWHZSHID-UHFFFAOYSA-N 338.451 4.409 0 1 EIAF N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)S1 73159974 UYMZWWSMDCEXAT-GHXNOFRVSA-N 338.310 4.104 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2O)s1 73166045 VFBPLSZZYSKPBA-UHFFFAOYSA-N 339.416 4.099 0 1 EIAF Cc1cccc(-c2nc(N3CCCCC3)ncc2-c2ncc(C)o2)c1 82173309 PNHNCILNTAWNCU-UHFFFAOYSA-N 334.423 4.406 0 1 EIAF CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 101771718 YWGJDMHPINTLKT-UHFFFAOYSA-N 345.490 4.166 0 1 EIAF N[P@](=O)(OCCCc1ccccc1)Oc1ccc(Cl)cc1 102464542 BQWSSVDFXIXEPN-NRFANRHFSA-N 325.732 4.435 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccc(OC)cc1 169299074 PDYNYWNQALHFBR-JBPLPALLSA-N 334.415 4.395 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1nccn1 253696958 DQFSOCQBGGWYNF-FJEWGBTGSA-N 339.483 4.053 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586887483 IPZAOQMUZATTBO-KKSFZXQISA-N 332.403 4.111 0 1 EIAF Oc1nc2cc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3cc2[nH]1 587074269 UWMLVNMUAHZIDK-UHFFFAOYSA-N 338.798 4.268 0 1 EIAF Fc1ccc2c(c1)C[C@H](c1nc3cccc(Br)c3[nH]1)O2 587173606 GGEBITLYISNGAK-CYBMUJFWSA-N 333.160 4.141 0 1 EIAF CC[C@]1(CSC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369889 QZKKGCVAJKVGDI-IEBWSBKVSA-N 346.423 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(C)C)[C@@H](C2)C3=O 587442430 WROYQKIEJYRYJY-KKSFZXQISA-N 338.403 4.145 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4SC[C@@H]1C)[C@@H](C2)C3=O 587453537 QYUVRNRQWMQTHF-ORBZYBPHSA-N 338.428 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nc(F)ccc13)CC2=O 587472425 QGNXSSPPRNJQSR-INIZCTEOSA-N 340.354 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)CC1CCOCC1)CC2=O 587482300 DRQAARVKAFTEEB-YJYMSZOUSA-N 332.440 4.131 0 1 EIAF CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cccn1 587622601 DIXXWAMJVYTGJI-UHFFFAOYSA-N 344.216 4.116 0 1 EIAF Cc1cnccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587775959 VGMHYDOGOASJHQ-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C)nc4[nH]3)c2)c1 587931716 CYNLQRJIEVOAMA-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF O=C1C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962662609 FCFGEOUOSGTPTB-QHCPKHFHSA-N 325.411 4.329 0 1 EIAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1O 2356409640 OGDIPDDKOOVFTL-SVFBPWRDSA-N 348.483 4.241 0 1 EIAF COc1ccc(/C=C(\Cl)c2ccc(OC)c(OC)c2)cc1OC 1634765 KLMLYOQAMSHIKT-ZROIWOOFSA-N 334.799 4.458 0 1 EIAF CCOc1cccc(-c2cc(Cl)cc3c2N2CCNCC[C@@H]2C3)c1 13535474 JMEVPTRTECFJNZ-QGZVFWFLSA-N 342.870 4.130 0 1 EIAF C/N=c1\nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)s1 27733960 HHJLGRGZWLODHP-OBGWFSINSA-N 336.247 4.438 0 1 EIAF COc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12 28365864 GWRGVEOEXIBMJH-UHFFFAOYSA-N 335.153 4.282 0 1 EIAF CN1CCN=C1CCCCCCCCCCCCC1=NCCN1C 28865468 USEDBNMCXSJSAT-UHFFFAOYSA-N 334.552 4.355 0 1 EIAF Cc1c2c(c(C)n1-c1cccc(Cl)c1)[C@@](C)(C(N)=O)CC2(C)C 39215386 BWRBOQNAJLJNCO-IBGZPJMESA-N 330.859 4.172 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O 85841817 WUUOACSBQPHDQM-LONLNUGOSA-N 332.440 4.113 0 1 EIAF biogenic,in-vitro COc1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1OC 95583400 WHOAWQFWGLWGGT-OAHLLOKOSA-N 331.799 4.093 0 1 EIAF COc1cccc(S(=O)(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 103248159 SIMWQCTVSZJUMO-MDZDMXLPSA-N 342.338 4.159 0 1 EIAF CCCNC[C@@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 169325757 BIUFPJPSIBNCTK-JOCHJYFZSA-N 332.447 4.449 0 1 EIAF O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 169327481 ZQDZGVIJLNXCDS-UHFFFAOYSA-N 328.437 4.202 0 1 EIAF COc1cc([C@@H]2CCC[C@H](CCc3ccc(O)cc3)O2)ccc1O 205499135 RSZMYPMRMWJYPR-MJGOQNOKSA-N 328.408 4.349 0 1 EIAF COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@H]1CC[C@H]2C(C)C)OC4 263636834 IUFGEQBIXNEGRY-BZFRNLKRSA-N 332.484 4.363 0 1 EIAF COc1ccc(S(=O)(=O)Nc2c(C)cc(CC3CC3)cc2C)cc1 299839227 QWYZLYRHRKHYNC-UHFFFAOYSA-N 345.464 4.065 0 1 EIAF Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1C 587005564 KSDIUUZFMIUYHG-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF COC(=O)C[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587108321 ZOMLKEAUWWIVPZ-LBPRGKRZSA-N 343.382 4.039 0 1 EIAF Fc1ccc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(F)c1 587148649 JJOVJOBSIQEGSR-DUXPYHPUSA-N 336.244 4.333 0 1 EIAF Oc1nccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149208 HXJKCDZATWKNOE-MRXNPFEDSA-N 334.354 4.004 0 1 EIAF COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)nn1-c1ccccc1F 587155767 GVSGOSAXGGGSCN-UHFFFAOYSA-N 336.370 4.180 0 1 EIAF Cc1cc(Cl)cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587157800 UBQJZVUMJZYOQH-GOSISDBHSA-N 343.789 4.455 0 1 EIAF Cc1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c(C)n1 587205003 NAHYPLYYCDDHOS-AWEZNQCLSA-N 346.475 4.057 0 1 EIAF COc1cc2c3c(c1)O[C@@H](C1(c4ccccc4)CCCC1)[C@@H](C2)C3=O 587445529 KRAKFNCINJTNHS-LAUBAEHRSA-N 334.415 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCF)c1)CC2=O 587467254 RUYSHUNBJBLCEE-LJQANCHMSA-N 344.382 4.400 0 1 EIAF CC(=O)Nc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511418 KHXZWKJZBFHZFG-QFIPXVFZSA-N 349.430 4.404 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sccc1F 587568128 LCIWZHSJDWXKER-RHSMWYFYSA-N 342.347 4.296 0 1 EIAF CCc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587774741 XGDLJQPJKJZSPQ-BMLIUANNSA-N 349.247 4.169 0 1 EIAF CSC1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587841550 BPCWTKMQOHSBRU-YMTOWFKASA-N 344.293 4.449 0 1 EIAF Brc1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2n1 587951480 MFDKNNKWLNBNJH-UHFFFAOYSA-N 344.212 4.319 0 1 EIAF CC[C@]1(Cc2nc3cc4cn[nH]c4cc3[nH]2)CC(=O)c2ccccc2C1 587961260 QXDMQFKAHUOIIW-OAQYLSRUSA-N 344.418 4.207 0 1 EIAF Cc1ccc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)c1 962732046 WGQOIQSCVJPREL-IEBWSBKVSA-N 347.380 4.213 0 1 EIAF Cc1cc(-c2cnc(N)c(C(=O)Nc3ccccc3C)c2)ccc1F 1857587010 LIONNPNGRQPXJJ-UHFFFAOYSA-N 335.382 4.339 0 1 EIAF CC(C)=C1CC[C@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@@H]1CCCO 2356694278 YFXSGYVMBQHZCY-XBQLCILLSA-N 332.440 4.409 0 1 EIAF CC1(C)C=C(n2ccccc2=O)c2cc(Cl)c(Cl)cc2C1=O 15981 MWCMNTLTSBKWJD-UHFFFAOYSA-N 334.202 4.267 0 1 EIAF Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCCC3)n2)c1 324443 DAPUEJFIPORGIT-QGZVFWFLSA-N 339.439 4.289 0 1 EIAF CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O 14953741 WRRVHFIKXDBTBT-ZUZCIYMTSA-N 344.402 4.400 0 1 EIAF O=C(c1ccccc1)N(C1CCC1)C1CCN(Cc2ccccc2)CC1 26573338 KTIJCZACSJLVCJ-UHFFFAOYSA-N 348.490 4.346 0 1 EIAF CN1CCc2c(c3cc(Br)ccc3n2-c2ccccc2)C1 27718677 TYQBEKSBUWTHQY-UHFFFAOYSA-N 341.252 4.381 0 1 EIAF COc1ccc(CO[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1 29206094 BIPGSFPDFZLUIK-RBUKOAKNSA-N 331.843 4.011 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)C[C@H](O)[C@@]12C 36398912 PDCJRPDIEWEPHE-WTLMAMESSA-N 346.467 4.135 0 1 EIAF biogenic,in-vitro C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CCC(=O)O1 38421340 CXXAIOQMCGJVHT-RVNRYEFKSA-N 328.452 4.204 0 1 EIAF CN1C(=O)[C@](O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21 73160766 IYFQBUQUBZBACZ-NRFANRHFSA-N 347.439 4.267 0 1 EIAF CCc1cc(C2=N[C@H](c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1 103173695 BQJWYYOVDIDGPF-IBGZPJMESA-N 347.418 4.293 0 1 EIAF CC(C)c1cc(SCC(=O)C(C)(C)C)nc(-c2ccccn2)n1 103374573 NDNLNOKGXHPCLU-UHFFFAOYSA-N 329.469 4.369 0 1 EIAF C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 120628574 NQIFHFSJVHGNMO-SFFQSFBMSA-N 332.528 4.245 0 1 EIAF CCCOC(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143480238 XMADOBIZRBYTDQ-KRWDZBQOSA-N 336.309 4.032 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169318490 JTVHQWNUCRXUJU-AWKFRVKISA-N 336.472 4.414 0 1 EIAF Cc1csc(SCc2ccc(-c3nc4ncncc4[nH]3)cc2)n1 587021084 HUQUWSVMLAMYLI-UHFFFAOYSA-N 339.449 4.077 0 1 EIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1 587050377 JKMDNYCCZAYIBR-UHFFFAOYSA-N 332.766 4.012 0 1 EIAF Cc1ccc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F 587146536 PHURAOFJQHKONS-RMKNXTFCSA-N 339.414 4.121 0 1 EIAF O=C(CCc1nc2cc(Cl)cc(F)c2[nH]1)Nc1cccc(F)c1 587164057 YGRDXBKUOBXWCK-UHFFFAOYSA-N 335.741 4.066 0 1 EIAF O=C1c2ccccc2-c2cc(CC3CCOCC3)nc3cccc1c23 587209632 RAHWYXZDVJPCRJ-UHFFFAOYSA-N 329.399 4.415 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2cc(C)c(F)cc2[nH]1 587229161 QFVLTWPNVIURDL-UHFFFAOYSA-N 327.403 4.372 0 1 EIAF Cc1cccc([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)c1 587393161 COIFILLSRUXULS-JOCHJYFZSA-N 344.414 4.190 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(C)c(C)cc3n1)O2 587393957 CFNRMEIWTLXHAG-FQEVSTJZSA-N 332.403 4.449 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(Cl)c14)[C@@H](C2)C3=O 587424043 WTNVFLILDQMSAV-JEOXALJRSA-N 339.778 4.319 0 1 EIAF CCn1ccc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc21 587432652 YGFMHDZMGMBMGX-IIBYNOLFSA-N 333.387 4.159 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OC(C)C)C1(C)C 587481188 QAQAMOLPVBPNPR-PXNSSMCTSA-N 332.440 4.272 0 1 EIAF O=C1C[C@H](c2c(O)cc(F)cc2F)Oc2c1ccc1c2CCCC1 587506475 NVTCQNAOKXVBJM-QGZVFWFLSA-N 330.330 4.256 0 1 EIAF C=C1C=C(C)n2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2N1 587513707 FBTIRBXELBZZBD-LJQANCHMSA-N 347.418 4.268 0 1 EIAF Cc1ccc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 587515269 MWFREUZHKYHMGC-IBGZPJMESA-N 332.403 4.228 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]ccc1Cl 587546181 IXHUQTRGFXUKKG-RDTXWAMCSA-N 341.750 4.077 0 1 EIAF Cc1[nH]c2cc(F)ccc2c1C(=O)NC1C2CC3CC(C2)CC1C3 587635129 HGMXZLRNEWCTIF-UHFFFAOYSA-N 326.415 4.170 0 1 EIAF CC(C)OCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792128 LFXOVPUMQXUTFJ-MEDUHNTESA-N 344.268 4.153 0 1 EIAF Nc1nc2ccccc2cc1C(=O)NCc1ccc(Cl)cc1Cl 95570853 LLCFXDKVMACDOG-UHFFFAOYSA-N 346.217 4.054 0 3 EIAF O=C1[C@@H]2CCCN2[C@H](c2ccc(F)c(F)c2)N1c1cccc(Cl)c1 104041269 DASPTHKYVBHSGO-IRXDYDNUSA-N 348.780 4.128 0 3 EIAF C[C@@H](/C=C(\Cl)C(=O)Nc1ccccc1C(=O)O)c1ccccc1 13488971 AKSSTIAESQSRMK-CMHHUMAZSA-N 329.783 4.250 0 1 EIAF Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1Cl 13607812 YNUIXEALQDPTQN-UHFFFAOYSA-N 342.826 4.245 0 1 EIAF C[C@H](Cc1ccccc1)NC(=O)c1cccc2c(N(C)C)cccc12 26726368 PUDZQIDGQBWXRW-MRXNPFEDSA-N 332.447 4.267 0 1 EIAF COc1ccc(CC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 26963056 KALJCBLRPOLMJV-UHFFFAOYSA-N 346.382 4.025 0 1 EIAF Nc1cc(N)c2nc(-c3ccccc3)c(Nc3ccc(F)cc3)nc2c1 40876924 NIUYHJHZOHMWPP-UHFFFAOYSA-N 345.381 4.344 0 1 EIAF CC[C@@]12CCCn3c(COC)cc(c31)-c1ccccc1NC(=O)CC2 42965290 FGHROJSHRIKSBW-NRFANRHFSA-N 338.451 4.475 0 1 EIAF biogenic O=C(Nc1cccc(NC(=O)C2CCC2)c1)c1cccc(Cl)c1 49035435 USMQWRRKHLRXFJ-UHFFFAOYSA-N 328.799 4.331 0 1 EIAF CCCCC[C@]1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F 64549485 YYAOOUIPSUQQTI-LJQANCHMSA-N 331.362 4.489 0 1 EIAF COc1ccc(Nc2ncnc3c2sc2cccnc23)cc1OC 95575497 PDKXYUUKFJRUJB-UHFFFAOYSA-N 338.392 4.000 0 1 EIAF NCCN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 103301413 FVUOROQTTXBLKL-ZRZAMGCNSA-N 336.523 4.434 0 1 EIAF COc1ccc(-c2ccccc2OC(F)(F)F)cc1[C@@H]1CCNC1 118511308 UZVDGOVSKMTGSP-CYBMUJFWSA-N 337.341 4.338 0 1 EIAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3CC(C)C)sc1C(=O)O 145055551 ZBPQGNUYUUSKBZ-UHFFFAOYSA-N 339.420 4.299 0 1 EIAF Brc1nccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882711 AGIOOGNAAAVWFJ-ZSYFIWHWSA-N 332.245 4.188 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)cc(C)c2[nH]1 586916635 NAEJIJYZSPRFOA-HRAATJIYSA-N 334.419 4.396 0 1 EIAF CCOC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993597 YIWCNRJVYPWKES-LBPRGKRZSA-N 345.398 4.218 0 1 EIAF Nc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N 587050006 NYHLGXMDLVFEIQ-JGVFFNPUSA-N 333.222 4.305 0 1 EIAF COc1ccc(NC(C)(C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587201195 JNXQBYVXZSAXJT-UHFFFAOYSA-N 335.329 4.336 0 1 EIAF CCc1ccccc1NC(=O)c1nc2c(F)c(F)c(Cl)cc2[nH]1 587241619 ZKPRVUBLNIDIJR-UHFFFAOYSA-N 335.741 4.309 0 1 EIAF COc1ccc(-n2ncc(C(=O)c3coc4ccccc34)c2C)cc1 587280752 XFNITYRZLPBQHP-UHFFFAOYSA-N 332.359 4.167 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1nccs1)O2 587412123 HFCCNNBVHXBWAH-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Cl)cc4C1)[C@@H](C2)C3=O 587420212 HMNHLQQRWJNOIC-OXJNMPFZSA-N 340.806 4.024 0 1 EIAF CCN(CC)CCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501401 CMVDNOMRFZUSFI-OAQYLSRUSA-N 329.484 4.411 0 1 EIAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588184 JYLRGMWSCJOSTK-LAUBAEHRSA-N 349.386 4.214 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 587638389 KKVAYMLACMWXBC-UHFFFAOYSA-N 342.782 4.389 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587824005 SVPVXXCGLDKCGZ-WQFLNUHSSA-N 336.248 4.376 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cnc2[nH]1 587927788 USEJFNCJQHJNEU-LBPRGKRZSA-N 331.803 4.170 0 1 EIAF COc1ccc(C2(c3nc4cc(OC)ncc4[nH]3)CC3(CCC3)C2)cc1 587936669 YBGOKOIHSRSAJR-UHFFFAOYSA-N 349.434 4.225 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)c(C)c4[nH]1)(C3)C2 587951494 WLJUPNYELOVXJN-LWYUSKRHSA-N 342.414 4.164 0 1 EIAF Cc1cc(C)c([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)[nH]1 962704591 LHGNKMCZDZXNEL-QRWLVFNGSA-N 344.499 4.398 0 1 EIAF CCC[C@@H]1CN(C)CC[C@]12c1ccsc1CCN2Cc1ccco1 962705202 KLGQCYMPEUGBAT-OXQOHEQNSA-N 344.524 4.347 0 1 EIAF Clc1cccc(N=c2[nH]nc(N3CCCCC3)c3ccccc23)c1 1857602230 NAOGWRITYAAJAG-UHFFFAOYSA-N 338.842 4.439 0 1 EIAF COc1ccc(C(=O)N(C)c2cccc(Oc3ccc(O)cc3)c2)cc1 1857749737 HMFGHIYUXICQSQ-UHFFFAOYSA-N 349.386 4.470 0 1 EIAF CCCCCC=CC[C@H](O)C=CC=CCC[C@@H](O)CCCC(=O)O 2356315953 ZMZNVSWCIRFLBV-RBUKOAKNSA-N 338.488 4.382 0 1 EIAF CCCN1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1 5093401 VBVLBIKUZMLIGA-UHFFFAOYSA-N 346.478 4.137 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN[C@@H](C)[C@H]2CC[C@@H]34)C1 6067072 SHCHXCXYUPHKHW-QLPKIABKSA-N 328.544 4.125 0 1 EIAF biogenic Cc1ccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCCC4)c(C)c1 8587467 UGKPOLOTMAKPRZ-UHFFFAOYSA-N 346.430 4.276 0 1 EIAF C[C@@H]1CN(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)C[C@@H]1C 16892914 CZDWKRSKCXMEKV-IZZBFERCSA-N 341.495 4.258 0 1 EIAF Fc1ccc2[nH]c3c(c2c1)CCN(CCc1ccc2ccccc2n1)C3 34602041 HCVJCBSIUZWNIM-UHFFFAOYSA-N 345.421 4.456 0 1 EIAF Oc1ccc(CNCc2cccc(C(F)(F)F)c2)c2cccnc12 49052488 WVRRTSCAJVKGGW-UHFFFAOYSA-N 332.325 4.249 0 1 EIAF C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@@H]1C2(C)C 169323879 BVLMUEUIQIASQJ-QYTUQVAYSA-N 326.362 4.296 0 1 EIAF CCCSc1nc([C@@H](C)c2c(F)cccc2Cl)cc(=O)[nH]1 169352181 YVAJHGRFTNLYKN-SECBINFHSA-N 326.824 4.216 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586886702 GOXPOSMEFSOUJJ-OTYXRUKQSA-N 336.222 4.410 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2c(Br)ccnc2[nH]1 587066488 CGJMYWSQAHCSEX-UHFFFAOYSA-N 337.608 4.083 0 1 EIAF CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(C)cc1 587216505 CONVEBGMMFJBGD-HXUWFJFHSA-N 347.462 4.170 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccccc3)o1)O2 587413610 SPWSEOIGLBDWDZ-HXUWFJFHSA-N 349.386 4.456 0 1 EIAF COc1cc2c3c(c1)O[C@H](C[C@H]1CCCc4ccccc41)[C@@H](C2)C3=O 587443705 BJDJWLXMORJEIH-NIKGAXFTSA-N 334.415 4.321 0 1 EIAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587514199 VXSNVAIMNFMQAO-FQEVSTJZSA-N 337.419 4.044 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccncc3)c2c1 587644259 RTWVJUPLYMPVJY-GFCCVEGCSA-N 336.391 4.094 0 1 EIAF CCSCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587841949 CRNNBGUPJNSCCQ-LKFCYVNXSA-N 332.282 4.307 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccnc1 587863171 SVICQDJYXYLAJE-UHFFFAOYSA-N 333.313 4.021 0 1 EIAF CC1(C)Cc2n[nH]cc2[C@@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963101548 CKXJJLANEFESSE-KRWDZBQOSA-N 336.266 4.078 0 1 EIAF CCCn1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(C2CC2)n1 963112369 SIZLYIFSAJDBLF-LAUBAEHRSA-N 339.458 4.420 0 1 EIAF CC(C)N1C(=N)/C(=C\c2nc(O)c3ccccc3n2)c2ccccc21 1857744555 HWNHJNVXXGVXIY-SHZKVYHLSA-N 330.391 4.082 0 1 EIAF O=C(CCCCCCC(=O)c1ncco1)Nc1ccc(Cl)cc1 13587164 BMYHSZBWJSASIM-UHFFFAOYSA-N 334.803 4.490 0 1 EIAF O=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12 13607217 QKHWOVCJIMCXNT-UHFFFAOYSA-N 333.431 4.248 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC2CCCC2)N3C)cc1 13740252 PSQGGMTYCHMOPL-NBYUQASBSA-N 327.468 4.047 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1ccnn1 26398963 OKJRJJXKSVCWCZ-ZBGUWCLVSA-N 339.483 4.053 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27418842 ZDXVLUHOOVYRHN-HVOGWPSISA-N 342.479 4.410 0 1 EIAF CC(C)c1ccc(C(C)C)c([C@@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1 27525331 WXEDORIXRNKDFZ-OAHLLOKOSA-N 347.480 4.102 0 1 EIAF Cc1ccnc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)c1 40394554 RPVZWLQAIDOJKO-BTCBHJBXSA-N 342.508 4.402 0 1 EIAF CC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64704938 OSWHZHVVVZAPRN-UHFFFAOYSA-N 335.407 4.484 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccc(O)cc2)s1 73166039 QUDJNGINHHGJON-UHFFFAOYSA-N 339.416 4.099 0 1 EIAF O=C1Cc2cnc(Nc3ccccc3)nc2-c2ccc(Cl)cc2N1 82150434 XSRLXZQQNLRBRR-UHFFFAOYSA-N 336.782 4.035 0 1 EIAF O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CCCC1 143975302 OWSGLNWYEPTHNN-UHFFFAOYSA-N 342.830 4.234 0 1 EIAF OCc1ccc(-c2nn(Cc3ccc(F)cc3F)c3ccccc23)o1 169322386 AUUKIMXJYJBMIS-UHFFFAOYSA-N 340.329 4.115 0 1 EIAF CC(=O)N1N=C(c2ccccc2)O[C@H]1c1ccc(Cl)c(Cl)c1 169500279 OFBLFHTYFUKZFX-INIZCTEOSA-N 335.190 4.233 0 1 EIAF O=C(Nc1cc2ccc(-c3cc(F)cc4[nH]ncc34)cc2cn1)C1CC1 169700126 QETXJUHOKNLFQW-UHFFFAOYSA-N 346.365 4.266 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 253994964 WYLVHBJTPIXZSO-HUJIQXBTSA-N 332.484 4.243 0 1 EIAF CN(C(=O)n1nnc2ccccc21)C(c1ccccc1)c1ccccc1 299830053 LWHMKDVCVRDPFH-UHFFFAOYSA-N 342.402 4.121 0 1 EIAF C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1 584904840 RUOHSEWJRWMCPQ-GFCCVEGCSA-N 346.434 4.260 0 1 EIAF in-vitro CCc1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1Br 586977698 QIEXXBKHLWNQOJ-UHFFFAOYSA-N 341.212 4.431 0 1 EIAF Fc1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1Cl 587041213 LODKCGLNQZWFDU-HOTGVXAUSA-N 347.846 4.302 0 1 EIAF Fc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587075152 DDLJXQIVUFPIGW-OAHLLOKOSA-N 333.725 4.112 0 1 EIAF FC(F)(F)c1cccnc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587109212 VPMLRUQUXZRDTN-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF COc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1F 587258490 DQSXERXKKDIMFA-INIZCTEOSA-N 335.382 4.106 0 1 EIAF COC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362195 GKVQMMNFEVFFAK-UHFFFAOYSA-N 347.370 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(C)(C)C)cc1)O2 587399765 JYHIGFQRRBDCHN-SFHVURJKSA-N 325.408 4.461 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(Cl)cc1C)[C@@H](C2)C3=O 587420792 IZDXGCCXLQUFAA-IFXJQAMLSA-N 328.795 4.454 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(F)cc1)[C@@H](C2)C3=O 587427137 GYWJUZNOXIIJKK-KKSFZXQISA-N 349.361 4.114 0 1 EIAF CCCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587444848 VZFGHAFZGHVGLJ-IERDGZPVSA-N 338.403 4.145 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-n3ccnc3)c1)CC2=O 587468609 AALNZJYLYQTGJJ-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF Cc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611815 UHEHDVUABDWZPY-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771446 LRMANUDOJUGTTR-APPDUMDISA-N 349.247 4.224 0 1 EIAF CS[C@H](C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587842645 VHMVMGPGBHSFIB-LNLATYFQSA-N 332.282 4.305 0 1 EIAF COc1cccc([C@H](C)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587929596 CAARSJSKYNSGPQ-MRVPVSSYSA-N 338.304 4.474 0 1 EIAF Fc1cccc2c1OCC[C@@]21NCCc2c(Cl)cc(Cl)cc21 963102700 DXWOTHRDXZRCFB-QGZVFWFLSA-N 338.209 4.304 0 1 EIAF CC1=CN2[CH]C=CC(C)=C2N1CC(=O)c1ccc(Br)cc1 2356868835 SLBSHIAPZYHJBQ-UHFFFAOYSA-N 344.232 4.074 0 1 EIAF Cc1ccc(C2=NO[C@@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 12726739 HQUKCCWBRVESLZ-HXUWFJFHSA-N 333.391 4.009 0 3 EIAF COc1cc(F)ccc1-c1csc([C@H](O)c2ccc(F)cc2)n1 61898314 BMRJJXOFIRYOKM-MRXNPFEDSA-N 333.359 4.179 0 3 EIAF O[C@]12CC[C@@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 5847207 GTAUFWQVNOOSHQ-ISBRNDMJSA-N 348.442 4.301 0 1 EIAF O=C1c2c(O)cccc2Cc2ccc(CCCc3ccccc3)c(O)c21 13490524 TZZLCXYDBCWVGJ-UHFFFAOYSA-N 344.410 4.408 0 1 EIAF CCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 22940701 PODKHCGQHFOERO-UHFFFAOYSA-N 329.315 4.344 0 1 EIAF CCOC(=O)N1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1 27845306 JZKXHUGBKHTPCL-UHFFFAOYSA-N 342.345 4.381 0 1 EIAF CCOC(=O)[C@@H](Cc1ccccc1)Cc1nc2ccccc2s1 28001345 GABGXCLHCSTBGU-HNNXBMFYSA-N 325.433 4.261 0 1 EIAF CCOC(=O)[C@@H](Cc1ccc(F)cc1)Nc1nc2ccccc2s1 28009790 SAANJTZEPOWUMZ-OAHLLOKOSA-N 344.411 4.022 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1cccc(Cl)c1 28768054 ANMFWRHVEAKOSG-QGZVFWFLSA-N 331.202 4.068 0 1 EIAF Nc1cc(F)ccc1Nc1ccc2c(c1)CCc1ccccc1C2=O 40899960 KEABTVVGWBJHDV-UHFFFAOYSA-N 332.378 4.481 0 1 EIAF Cc1cc(O)cc2oc(=O)cc(CSc3nc4ccccc4o3)c12 96910554 IXCBOGDAPSJUAB-UHFFFAOYSA-N 339.372 4.241 0 1 EIAF CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1cc(C)ccc1C 103901451 DXBQKAZPMWHYQK-INIZCTEOSA-N 340.452 4.036 0 1 EIAF C[C@@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1 117722764 FRQMBTAFOBCSRS-CJNGLKHVSA-N 328.843 4.159 0 1 EIAF O=C(Nc1nc(-c2ccncc2)cs1)N[C@H]1CCc2ccccc21 166905600 XGVCACISIMVTBC-HNNXBMFYSA-N 336.420 4.014 0 1 EIAF COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12 226074748 MYGCBFRVFDUTBD-UHFFFAOYSA-N 339.414 4.187 0 1 EIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c[nH]c(=N)cc4[nH]3)c21 587030718 KERUQZPXVIQIGU-NSHDSACASA-N 349.463 4.329 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S)ccc3F)nc2c1 587141355 QAXXSLYHVXFBSV-UHFFFAOYSA-N 336.775 4.098 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]cc1-c1ccccc1)[C@@H](C2)C3=O 587438134 MQRLKWDOVCWFIC-HTAPYJJXSA-N 345.398 4.353 0 1 EIAF CCCc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587496172 RZSUEFDWUPWLKV-OAHLLOKOSA-N 331.437 4.460 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530871 WHLKGZBMPRSOQE-HVETUWLQSA-N 338.447 4.295 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(C)=O)cc2[nH]1 587935158 QCTVLNZPOAACJZ-UHFFFAOYSA-N 332.403 4.346 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 587952986 YSFMUVOQDMORLK-IFIJOSMWSA-N 330.428 4.396 0 1 EIAF CN1CCc2c(Br)cccc2[C@]12CCC[C@H]2CCF 963280091 MDVRLOHDCZDNKH-BLLLJJGKSA-N 326.253 4.292 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccn1-c1ccccc1 963633530 IQCRQJBBBFCYON-IVZQSRNASA-N 348.446 4.118 0 1 EIAF COc1c(C(=O)Cc2cccc(F)c2)ccc2c1C=CC(C)(C)O2 1857760969 RJZBQWUGKKHVDY-UHFFFAOYSA-N 326.367 4.444 0 1 EIAF c1ccc(-c2ccc(-c3n[nH]cc3CNC[C@@H]3CCCCO3)cc2)cc1 15961894 VVLGHBRRYIRMOR-NRFANRHFSA-N 347.462 4.402 0 3 EIAF CCCN1C(=O)COCc2cc(-c3cc(Cl)ccc3OC)ccc21 74374754 UBTAPHQJZFZIJK-UHFFFAOYSA-N 345.826 4.289 0 3 EIAF Cc1ccc(C(C)C)c(O)c1[C@]1(O)OC(=O)c2cccc3cccc1c23 6522372 ZTRRJLIOZOJWKS-JOCHJYFZSA-N 348.398 4.341 0 1 EIAF C[C@@H]1Cc2c(O)c3c(c(O)c2O1)[C@]1(C)CCCC(C)(C)[C@@H]1CC3=O 14765521 DWVBZTIYCORWPB-LITPITGPSA-N 330.424 4.092 0 1 EIAF biogenic CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82176208 DQOSFCFZXIMQLE-UHFFFAOYSA-N 342.443 4.479 0 1 EIAF c1ccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 100101752 XJOWQXHWVGWHRE-BKFWDETESA-N 340.470 4.293 0 1 EIAF C[C@H]1C[C@@H](C)c2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103182149 JLDWDDXDELGCMI-KGLIPLIRSA-N 339.483 4.258 0 1 EIAF Nc1cccc(NC(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c1 164830383 XEQQPVSABZNGOH-UHFFFAOYSA-N 346.365 4.204 0 1 EIAF CC[C@@H](C)Sc1nc(Cc2c(F)cccc2Cl)cc(=O)[nH]1 169352165 FBAPZXNURCCVID-SECBINFHSA-N 326.824 4.044 0 1 EIAF Cc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21 251191091 ZSYFZEKGOURNFG-ROUUACIJSA-N 326.827 4.158 0 1 EIAF CC(C)(C)c1cc(-c2cn3c(n2)[S@](=O)C=C3)cc(C(C)(C)C)c1O 253636469 LWDXRRNLIWVQMG-XMMPIXPASA-N 344.480 4.400 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2C 253994988 XDCKKLJZZNMBOS-NCXUSEDFSA-N 341.476 4.154 0 1 EIAF CCn1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987897 UNZCJDSFSPQSJR-UHFFFAOYSA-N 341.370 4.035 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097219 GXLQIWZQOQYEJU-CYBMUJFWSA-N 338.264 4.112 0 1 EIAF CC(C)[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C 587198711 KVQCXIMPCWMJEE-LBPRGKRZSA-N 330.657 4.238 0 1 EIAF c1ccc(CN2C[C@H]3Cc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 587211300 CNIBDNTXMMHBKV-XLIONFOSSA-N 326.443 4.105 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 587250998 VZEUVRFYJWVUOL-IBGZPJMESA-N 343.390 4.203 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)o1)[C@@H](C2)C3=O 587455653 PBDYODQWHXFRNP-YCRPNKLZSA-N 332.355 4.444 0 1 EIAF O=C1C[C@@H](c2ccc(-c3cc[nH]n3)o2)Oc2c1ccc1c2CCCC1 587528151 XOZHJIUYYZHEHG-IBGZPJMESA-N 334.375 4.255 0 1 EIAF COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600270 NNEBGEGTHOIINL-RXVVDRJESA-N 348.354 4.104 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2)N1 587818185 GNUFONSNTXPCGD-BTDLBPIBSA-N 348.215 4.024 0 1 EIAF COc1ccccc1CC(=O)c1nc2cc(C(F)(F)F)ccc2[nH]1 587930865 QBSDNWISMLIVBF-UHFFFAOYSA-N 334.297 4.016 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]21c2cccc(F)c2CC[C@H]1C 963259998 VOSDHTNUKVIBCL-ODXCJYRJSA-N 345.845 4.459 0 1 EIAF CCc1nc(N)cc(C)c1-c1ccc(F)c2c(C)c(CCOC)[nH]c12 1772589555 WLBMPGLAQLXHAS-UHFFFAOYSA-N 341.430 4.319 0 1 EIAF Cc1cccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)c1 1857578123 AJKZJGFDHDTOSH-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF COc1ccc(-c2nc(N)c3nc(-c4ccccc4)sc3n2)cc1 1857590257 PVUAHOZQHJZVSR-UHFFFAOYSA-N 334.404 4.011 0 1 EIAF CC[C@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 254048184 XFKKWOBQJWQESO-MBUXAMNOSA-N 346.511 4.308 0 3 EIAF Fc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1 14956 QXYCLOCXKREGEY-UHFFFAOYSA-N 327.443 4.297 0 1 EIAF CC(C)Oc1cccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)c1 13532789 RNMLDMHQKBIMRF-UHFFFAOYSA-N 347.418 4.163 0 1 EIAF Cc1ccc(-c2ncccc2[C@@H]2SCC(=O)N2CC(C)C)cc1 28819694 BXZISPJLLUPEGU-IBGZPJMESA-N 326.465 4.287 0 1 EIAF CSc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958737 UZUBZLWMXKGJJE-UHFFFAOYSA-N 347.447 4.125 0 1 EIAF CC(=O)N1Cc2ccc(Br)cc2CCc2ccccc21 36311170 OHJLZWHWBWQAFQ-UHFFFAOYSA-N 330.225 4.101 0 1 EIAF O=c1c2c3c(sc2ncn1-c1ccc2ccccc2c1)CCCC3 39207978 UXQZUTLWEDCVLP-UHFFFAOYSA-N 332.428 4.479 0 1 EIAF CC(C)(C)c1ccc(O[P@](=O)(O)[C@@H](N)CCc2ccccc2)cc1 49116047 CJMCRRZLZPAWLQ-GOSISDBHSA-N 347.395 4.466 0 1 EIAF CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 95539817 HBLWDHBKUANPEG-UHFFFAOYSA-N 327.468 4.289 0 1 EIAF O=C(Nc1cccc(O)c1C(=O)O)c1ccc(-c2ccccc2)cc1 103252006 XRAHXESSIMTFKW-UHFFFAOYSA-N 333.343 4.010 0 1 EIAF CCCC1=Nc2ncnn2[C@@H](c2ccccc2Cl)/C1=C(/O)OCC 103539232 NNKJBUZNMNSOIC-RIBQPWQFSA-N 346.818 4.213 0 1 EIAF Clc1cccc(Cl)c1CO[C@H]1CCCC[C@H]1N1CCOCC1 142329567 XENQVRODCYBGEK-SJORKVTESA-N 344.282 4.153 0 1 EIAF Cc1cc(C)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1 169722667 ZMXBQLBJIJILLV-UHFFFAOYSA-N 327.405 4.142 0 1 EIAF COc1ccc([C@H]2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1 299828171 SKNFCMQDFDGGIB-GOSISDBHSA-N 334.371 4.433 0 1 EIAF Brc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2n1 586887508 UOHCBWSVJNAGHA-YVEFUNNKSA-N 340.224 4.092 0 1 EIAF CC(=O)[C@@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995422 GVFOUQIGMOQEFS-LJQANCHMSA-N 330.343 4.151 0 1 EIAF Cc1ncsc1CCc1nc2ccc(Br)c(F)c2[nH]1 587027746 IXWNCOPKHCDLIN-UHFFFAOYSA-N 340.221 4.015 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587163712 NOOZFRRJODSNST-MRXNPFEDSA-N 326.419 4.046 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(Cl)cc1O)O2 587375796 PFBYGKGSSAFYIG-OAHLLOKOSA-N 338.190 4.296 0 1 EIAF O=C1C[C@@H](c2ccc(N3CCCC3)o2)Oc2c1ccc1c2CCCC1 587513159 IDDDVSVBKSSUNW-IBGZPJMESA-N 337.419 4.465 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2C1CC1 587604340 TXKJMGKYEGLFKF-FYINFDKHSA-N 336.387 4.303 0 1 EIAF CSc1ccc([C@H]2c3cccc(Br)c3CCN2C)o1 963279019 DWSYXJYABLFPAP-OAHLLOKOSA-N 338.270 4.341 0 1 EIAF COc1cccc2[nH]ccc(=Nc3ccnc(-c4ccccc4)c3)c12 1772609361 HPIULRCRERSBQS-UHFFFAOYSA-N 327.387 4.471 0 1 EIAF Fc1ccc2[nH]c(-c3cccc(N4CCc5ccccc5C4)n3)nc2c1 1857587213 ICDDELGQEKIFIM-UHFFFAOYSA-N 344.393 4.327 0 1 EIAF O=C(O)C[C@H](C=CCCCCCCCC[C@H]1C=C(CO)CC1)CO 2356366489 KFPSXIUIQQIXCJ-MSOLQXFVSA-N 338.488 4.075 0 1 EIAF CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 2914674 ILRSUVQZPNOPRG-DLBZAZTESA-N 339.830 4.035 0 1 EIAF COc1ccc2oc(C(=O)Nc3ccccc3)c(OC(C)C)c2c1 13603778 JQNIIPFBRGERHF-UHFFFAOYSA-N 325.364 4.481 0 1 EIAF CCO/C=C\[C@@]12CCC[C@@H]1NC(c1ccccc1)(c1ccccc1)O2 17176692 OBIWHZGRBCATLQ-KIVMTZFUSA-N 335.447 4.349 0 1 EIAF CCCCCNC(=O)NOCCC/C=C\CCCCCCC(=O)O 43078834 QHNVLXQJNGLGOO-VURMDHGXSA-N 342.480 4.169 0 1 EIAF in-vivo CCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)C)cc2)nc1 43175662 GDSIFSHJOGQYAM-MRXNPFEDSA-N 340.467 4.414 0 1 EIAF FC(F)(F)c1cccc(-c2ccc3ncc(-c4cccnc4)n3n2)c1 74385942 IJTIAULRJGNUGT-UHFFFAOYSA-N 340.308 4.477 0 1 EIAF CCOC(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 586912387 RHHDQSVBUKVMPI-UHFFFAOYSA-N 336.391 4.077 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586963174 LKWBSFKXLAAACQ-BZNIZROVSA-N 326.425 4.281 0 1 EIAF CSCC(C)(C)c1nc2cc(Br)c(F)c(F)c2[nH]1 586969048 MVTDPCHNVJSDCC-UHFFFAOYSA-N 335.217 4.244 0 1 EIAF Cc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 587017713 PEJLNRULQJWMGY-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 587144333 LYKFYWIXXVDRSG-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF Cc1cc(Br)c2[nH]c(COc3ccc(F)cc3)nc2c1 587169500 YADQUWOPFIKSEG-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF COC(=O)c1ccc2c(c1)CCCc1c-2nc2cccc3c2c1CC3 587214903 WXEPNVQBIOLXDF-UHFFFAOYSA-N 329.399 4.276 0 1 EIAF Clc1nccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230615 VGYAYFLUUNFMJZ-UHFFFAOYSA-N 335.798 4.285 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccsc4)nc1)[C@@H](C2)C3=O 587450532 FUVCIRDRRGNBNL-MGPUTAFESA-N 349.411 4.307 0 1 EIAF C=C1C=C(C)n2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc2N1 587513702 FBTIRBXELBZZBD-IBGZPJMESA-N 347.418 4.268 0 1 EIAF COc1ccc2c(c1)CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587527567 WWOHQEVELQLYQE-QHCPKHFHSA-N 348.442 4.467 0 1 EIAF Cc1ccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587565370 DPMCCDMDAZFJNC-UHFFFAOYSA-N 344.418 4.282 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)c2ccccc2C1=O 587631965 NXINIUNGPCZBIH-UHFFFAOYSA-N 328.730 4.069 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccncc3)c2c1 587644260 RTWVJUPLYMPVJY-LBPRGKRZSA-N 336.391 4.094 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587785752 ONFZKWJVXRPLBM-MSOLQXFVSA-N 346.430 4.385 0 1 EIAF CCCC/C=C\c1nc2ccc(I)cc2[nH]1 587964974 FRRQFMAOJVJGBF-WAYWQWQTSA-N 326.181 4.371 0 1 EIAF Cc1cnc(C)n2nc(CCc3ccc4cc(C(C)C)ccc4n3)nc12 1772606296 WZMWOURTNFNVJV-UHFFFAOYSA-N 345.450 4.198 0 1 EIAF CCC=CC[C@H](O)[C@@H](O)CC=CCC=CCC=CCCCC(=O)O 2356345823 BLWCDFIELVFRJY-OALUTQOASA-N 336.472 4.158 0 1 EIAF CN[C@@H]1C=C[C@H]([C@@]23CC[C@H](C)[C@@]4(CCC(C)=C4C2)C3(C)C)[N@@]2C[C@H]12 2356369324 QMXHHGQOIZSXQQ-XMVBZVKKSA-N 326.528 4.140 0 1 EIAF CC(C)=CCO[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(F)c(F)c21 5854245 PPGRXNRTCAGUJG-CYBMUJFWSA-N 337.244 4.225 0 1 EIAF O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 13493258 KPCZQZCMHFPJAP-UHFFFAOYSA-N 337.810 4.084 0 1 EIAF COc1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1-c1cnco1 13818669 QDJAJXUIQLIIKU-UHFFFAOYSA-N 333.347 4.084 0 1 EIAF CC(=O)OCC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C 14765025 DLHLVWPKWDVFSP-GGPKGHCWSA-N 336.472 4.282 0 1 EIAF biogenic O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N[C@H](c1ccccc1)CO3 28953740 MIWUYMZUVKTOQH-AWEZNQCLSA-N 346.308 4.093 0 1 EIAF C[C@@](O)(c1cccc(Cl)c1)[C@@H](c1ccc(O)cc1)c1ccccn1 33605040 AFGHHQYPGGUUDY-VQTJNVASSA-N 339.822 4.480 0 1 EIAF Cc1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 35087219 FILLRRQNVUEIMK-UHFFFAOYSA-N 327.767 4.191 0 1 EIAF CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(N)cc3)cc12 49109499 PPVJQQRPTBCRFG-UHFFFAOYSA-N 328.803 4.204 0 1 EIAF Clc1ccc(CNc2ncncc2-c2ccc3c(c2)OCO3)cc1 72134113 PHNXNPZJZWLACS-UHFFFAOYSA-N 339.782 4.138 0 1 EIAF O=C(O)COc1ccc(-c2cc(-c3ccccc3Cl)no2)cc1 169342541 JZBDHVNOZZQLLW-UHFFFAOYSA-N 329.739 4.125 0 1 EIAF CC[C@@H](C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1 169728229 RRXQHNBIUGLMGG-OAHLLOKOSA-N 336.391 4.021 0 1 EIAF CC(=O)Oc1ccc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 238761486 ZOEUHNIOVXZVKT-AZUQNVQGSA-N 342.435 4.383 0 1 EIAF Cc1oc2c(c1-c1nc3c(Cl)cnc(Cl)c3[nH]1)C(=O)CCC2 586904031 PRPNORLTUBKYNB-UHFFFAOYSA-N 336.178 4.352 0 1 EIAF Fc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F 587007855 TVJFXEXJSCPJEM-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF Fc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2c(F)c1F 587037102 RWXHAVYMIXYBBC-CYBMUJFWSA-N 326.368 4.420 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1 587160911 IEHXJMKNYQPVID-NWDGAFQWSA-N 332.176 4.131 0 1 EIAF CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 587212726 CIAZWIYJRLFAJE-UHFFFAOYSA-N 333.387 4.026 0 1 EIAF COc1ccccc1Nc1ccccc1-c1nc2cncc(OC)c2[nH]1 587241254 YJQRMIGOSCGFIW-UHFFFAOYSA-N 346.390 4.386 0 1 EIAF Cc1cc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)ccc1F 587368527 SEZCEAHPUWDXFZ-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cnc3ccccc3c1)O2 587396186 XKVFFQPCWRVOKE-INIZCTEOSA-N 332.403 4.092 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1SC)[C@@H](C2)C3=O 587452293 OBJVSEOTLGWMHN-MGPUTAFESA-N 340.444 4.166 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N=O)CC2=O 587469889 PRSIIRCBZUDEJB-ZUOKHONESA-N 339.391 4.360 0 1 EIAF Cc1ccnc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587623560 JJBBBVQTRUBXEE-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1 587656301 JFLSTYCNXUCELJ-UHFFFAOYSA-N 334.325 4.331 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587936388 KYDCSAXUVBDNIX-PXAZEXFGSA-N 339.439 4.101 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(CO)cc3[nH]2)cc1 587937558 PHRVRJXDRJQLIS-OAQYLSRUSA-N 344.414 4.244 0 1 EIAF CC(C)CC[C@@]1(c2ccccc2)NCCc2c1c(C(C)C)nn2C 962922458 XEOMNWPXFZJSTA-NRFANRHFSA-N 325.500 4.369 0 1 EIAF CC1([C@@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)CC1 962963704 YBCQNFRNOYBWHD-KRWDZBQOSA-N 339.401 4.372 0 1 EIAF CCCCn1cc(-c2cc[nH]c(=N)n2)c2ccc(Br)cc21 1857538055 KJRSGQAYEDRPJA-UHFFFAOYSA-N 345.244 4.073 0 1 EIAF CCCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 212206 PZLJPFQBEPZDCB-IBGZPJMESA-N 342.826 4.010 0 1 EIAF Cc1nc2cccnc2n1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 6900697 BOFAVAZLOMIJLY-KDOFPFPSSA-N 348.450 4.037 0 1 EIAF COc1ccc(CNc2c3c(nc4ccccc24)CCC[C@@H]3O)cc1 14946503 GKQCJUSPLSEUKC-IBGZPJMESA-N 334.419 4.225 0 1 EIAF CN(C)CC[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1 28653901 BBHIOAOQYULUDC-IBGZPJMESA-N 344.886 4.082 0 1 EIAF Cc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1 49111560 IPSJTNLRDXDRHR-UHFFFAOYSA-N 341.465 4.408 0 1 EIAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)C1CCCC1 64549142 YYAXCYSKIPJRTF-IBGZPJMESA-N 329.346 4.099 0 1 EIAF O=C(Nc1cccc(Cl)c1)c1cc(Oc2cccnc2)ccn1 167357566 BLIMSXQCXUBYGP-UHFFFAOYSA-N 325.755 4.175 0 1 EIAF CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 195268247 DXPXPTSTQIBWMJ-RUSOHIBLSA-N 336.472 4.270 0 1 EIAF CCOC(=O)c1c(O)nc(C)c(CC)c1O[C@@H]1[C@@H](C)CCC[C@H]1C 253671334 JIOAMVWNTKYBKR-ATCWAGBWSA-N 335.444 4.038 0 1 EIAF CN(Cc1ccccc1)C[C@H](O)[C@H](c1ccccc1)c1ccc(F)cc1 299846570 FKZDTLIZCQLJNS-XZOQPEGZSA-N 349.449 4.451 0 1 EIAF CSCC(C)(C)c1nc2c(Br)cnc(Cl)c2[nH]1 586969069 MZIZRPNSYCULOJ-UHFFFAOYSA-N 334.670 4.014 0 1 EIAF O=C1CSc2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2N1 587043912 OWCLFWRKQPFGLR-UHFFFAOYSA-N 349.337 4.293 0 1 EIAF FC(F)(F)c1ccc2ncc(-c3nc4nc(Cl)c[nH]c-4n3)cc2c1 587111313 DMZGFOCHHKGOHI-UHFFFAOYSA-N 349.703 4.192 0 1 EIAF CC(C)[C@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197603 JZRBVPJQCBSBBA-CQSZACIVSA-N 339.386 4.405 0 1 EIAF CC1(C)c2nc3cccc4c3c(c2CC[C@@H]1O)-c1ccccc1C4=O 587207620 TXKTVWDMCXMKJG-KRWDZBQOSA-N 329.399 4.031 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N)cc1)O2 587388539 DLFVNHIXGRSDGH-QFIPXVFZSA-N 344.414 4.068 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccnc3O)c1)O2 587393700 KGIMZCXJMLWHKG-LJQANCHMSA-N 346.386 4.051 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587417892 FOZLDNIWRJIQPE-WBUIGNHESA-N 328.795 4.268 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1F)(C(C)C)[C@@H](C2)C3=O 587425585 FJVKSJAGGYQFFZ-YWZLYKJASA-N 344.357 4.272 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4CCC1(C)C)[C@@H](C2)C3=O 587447222 NZNBYMHTQJDNJW-JTSKRJEESA-N 334.415 4.311 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)c(C)nn1CC)CC2=O 587463167 VMMCYGZKCRHYKP-HNNXBMFYSA-N 348.830 4.229 0 1 EIAF CCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498778 GRCRIDDLOPKLIW-MRXNPFEDSA-N 344.842 4.450 0 1 EIAF COc1ncc(C)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587519311 YUDLYMOJVNBOCW-NRFANRHFSA-N 337.419 4.158 0 1 EIAF CC(=O)C[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521674 DBWGBGJHVICJKQ-IERDGZPVSA-N 326.436 4.439 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587607952 JGCAPSOUCLKEKV-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF CCOC1=C[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587799666 BSKDKAMTUPUQQC-MGPLVRAMSA-N 340.236 4.032 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2)N1 587819338 LTYQGTJDZCKRRP-XHDPSFHLSA-N 334.232 4.406 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCC(C)(C)O2)N1 587831616 IGMDANRAMZAMKY-BCQZVRRWSA-N 342.252 4.121 0 1 EIAF Oc1cccc([C@@H]2NN=C3c4ccccc4O[C@H](c4ccccc4)[C@H]32)c1 653869233 IAICKVWVHDWAKX-JAXLGGSGSA-N 342.398 4.191 0 1 EIAF Fc1cc(F)c(F)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)c1F 963113549 UQKXEPFJGPEDLI-MGNBDDOMSA-N 339.307 4.492 0 1 EIAF COc1ccc(CCN2CCC(Cc3ccccc3)CC2)cc1OC 3633978 HMIHJBNZIMQOOL-UHFFFAOYSA-N 339.479 4.201 0 1 EIAF Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(Cl)cc2)n1 14945885 LQPLEEYQXIQYSE-UHFFFAOYSA-N 335.798 4.497 0 1 EIAF CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCCCC1 22448836 UPBDZILZTPVMPX-UHFFFAOYSA-N 329.315 4.344 0 1 EIAF CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 27095656 AVKGWXGSJRJBHL-UHFFFAOYSA-N 337.423 4.240 0 1 EIAF O=C(c1cccc2ccccc12)N1CCC(NCc2ccccc2)CC1 28707249 OMPYUZXQTLZJML-UHFFFAOYSA-N 344.458 4.234 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801274 YUEVEZWXYBGVTF-DZUCJZCMSA-N 345.527 4.301 0 1 EIAF C[C@@]12CC[C@H]3[C@@](CC[C@@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 40878482 FUMGUTQYADOMBS-JSTLVUAASA-N 334.456 4.027 0 1 EIAF O=C(N[C@H](CCCc1ccccc1)C(=O)O)c1cccc2ccccc12 59947633 HTSYYQSYMPQXMU-HXUWFJFHSA-N 347.414 4.046 0 1 EIAF COc1ccccc1-c1ccc2ncc(-c3cccc(C(C)=O)c3)n2n1 74386164 WLCAQWIUSXUJLF-UHFFFAOYSA-N 343.386 4.275 0 1 EIAF COc1cc(-c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC 84733482 DJXWFRQEUMPCMA-UHFFFAOYSA-N 329.327 4.174 0 1 EIAF C[C@@H](COC1C[C@@H]2CC[C@@H](C1)N2C)Sc1ccc(Cl)cc1 101240268 IOIRIZAMLJCKNZ-QEJZJMRPSA-N 325.905 4.462 0 1 EIAF CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@H]2CCCC[C@H]21 144440219 OWIWVULUMNNUKT-UXHICEINSA-N 345.446 4.055 0 1 EIAF CN(C)[C@@H]1[C@H]2CC[C@@H](C[C@@H]2OC(=O)c2ccccc2)[C@@H]1c1ccccc1 169373206 RNZUABSIOANGLF-KNOXWWKRSA-N 349.474 4.356 0 1 EIAF C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727175 STCDNRHBHKPGBU-HOTGVXAUSA-N 339.313 4.162 0 1 EIAF C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@@H]1C[C@H]2CC[C@H]1C2 261119753 JJDFSKYVEMOTAE-FLFBIERCSA-N 329.532 4.137 0 1 EIAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023054 CTPZONQLAXQVLZ-ZDUSSCGKSA-N 341.421 4.139 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587066632 FPUHMEQLPRDROM-UHFFFAOYSA-N 337.713 4.247 0 1 EIAF COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587243416 KXMGXCQBTZCCHM-UHFFFAOYSA-N 335.285 4.427 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cc(Cl)cc1Cl)O2 587375773 OURITIHATNYIQZ-CQSZACIVSA-N 338.190 4.296 0 1 EIAF CC[C@]1(c2c(F)cc(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587381022 FGVSUVABPQWTGY-GOSISDBHSA-N 335.325 4.265 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(OC)c31)CC2=O 587476893 GRXLOPISYLNJBE-NRFANRHFSA-N 338.403 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnn([C@@H](C)CC)c1)CC2=O 587479540 ZSOVUFOTGVARJG-SGTLLEGYSA-N 328.412 4.219 0 1 EIAF COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587498762 GLYZLJNIIYVNNT-KRWDZBQOSA-N 343.810 4.329 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C=O)N1 587818997 KHRFGSSVLRZONZ-QGHHPUGFSA-N 348.215 4.024 0 1 EIAF COc1ccc(CCCc2nc3ccc(Cl)cc3[nH]2)cc1OC 587927308 SHRLKQDMGLSYPH-UHFFFAOYSA-N 330.815 4.409 0 1 EIAF Fc1cnc(Br)c2[nH]c(CC3CCCCCC3)nc12 587960294 HOYXFYMRKVONGX-UHFFFAOYSA-N 326.213 4.372 0 1 EIAF CC(C)(C)N1C(=O)C2=C(c3ccccc3)Nc3ccccc3CN2C1=O 72134148 LMHCOYGKVJSZCH-UHFFFAOYSA-N 347.418 4.044 0 3 EIAF Cc1cccc(CNc2cc(-c3ccccc3CN(C)C)ncn2)c1 4268019 GUFKBXRLTCSOIF-UHFFFAOYSA-N 332.451 4.126 0 1 EIAF c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1 13559984 YXMJFMIXRKCUHW-UHFFFAOYSA-N 342.358 4.117 0 1 EIAF c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)coc2c1 34801048 MXXLYFCCXHQAGU-UHFFFAOYSA-N 326.484 4.488 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@H]4C(=O)O 40392379 YDAVVXOXSSFVPF-WNJXIGSNSA-N 348.483 4.273 0 1 EIAF COc1cc(OC(C)=O)cc2c1C(=O)O[C@H](C)CCCCCCC2 40617114 GXBQIDXPHKYBSC-CYBMUJFWSA-N 334.412 4.063 0 1 EIAF COc1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72185332 NEOXVVWHXSTNLW-LJQANCHMSA-N 325.795 4.028 0 1 EIAF COc1cc(CNc2cc(-c3cccc(C)c3C)ncn2)cc(OC)c1 82162295 LTTBUGIYVSVPED-UHFFFAOYSA-N 349.434 4.390 0 1 EIAF CCCC1=Nc2ncnn2[C@H](c2ccccc2Cl)/C1=C(/O)OCC 103539226 NNKJBUZNMNSOIC-VZHUHSAUSA-N 346.818 4.213 0 1 EIAF O=C(O)c1ccc2cc(I)c3ccccc3c2c1 114112516 HOYQQANZLZKQHU-UHFFFAOYSA-N 348.139 4.296 0 1 EIAF Cc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1 137085327 QMVSXNGQKIFBMG-UHFFFAOYSA-N 335.794 4.318 0 1 EIAF CCOC(=O)[C@@H]1C(=O)C[C@H](C(C)(C)C)N(C(C)(C)C)[C@@H]1C(C)(C)C 169307051 KPYFKVPHCLOTGI-OAGGEKHMSA-N 339.520 4.068 0 1 EIAF CCn1cncc1CNC1(c2ncc(-c3ccc(C)cc3)[nH]2)CCCC1 473092254 RYOPJUGGAJMRGA-UHFFFAOYSA-N 349.482 4.161 0 1 EIAF O[C@H]1C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 586903966 RKASKHRWCXQOCU-YPMHNXCESA-N 334.297 4.031 0 1 EIAF Nc1ccsc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993854 KBVNUXWRCQVRDT-UHFFFAOYSA-N 344.395 4.463 0 1 EIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 587070680 TWVOQUAFLFWZHS-SNVBAGLBSA-N 342.782 4.322 0 1 EIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Cl)ncc2[nH]1 587116061 LYJKSSBOPBTARI-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF N=c1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c[nH]1 587163794 LAROVDBLJKKAIR-MDWZMJQESA-N 336.395 4.160 0 1 EIAF CN(C)c1ncccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587196486 XHEZRPPEJOLXHU-UHFFFAOYSA-N 340.736 4.363 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(F)cc1)O2 587386426 YDVYWLULWUCDFB-LJQANCHMSA-N 336.366 4.214 0 1 EIAF CCC[C@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 587415006 XNODZRJBZFIITR-JLTOFOAXSA-N 331.456 4.287 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(F)c1Cl)[C@@H](C2)C3=O 587424986 ZOPCSCMDGKKCJN-GTNSWQLSSA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4ccccc4cc1C=O)[C@@H](C2)C3=O 587445267 JDZXBFIHTSTYAJ-PGRDOPGGSA-N 344.366 4.150 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3c[nH]cc31)CC2=O 587481765 IAHSSSJRDPPJQJ-HXUWFJFHSA-N 325.408 4.260 0 1 EIAF CN(C)/C=C/[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587513229 RDHCVVFECWRWHN-IWGBCORSSA-N 327.468 4.391 0 1 EIAF O=C1C[C@@H](c2scc3c2OCCO3)Oc2c1ccc1c2CCCC1 587531823 MMLURCBYYBMNCE-HNNXBMFYSA-N 342.416 4.105 0 1 EIAF Cc1ccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1C 587654228 QEEGSQNGCPBMMH-UHFFFAOYSA-N 341.823 4.266 0 1 EIAF CNc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743372 OKHNNRGSWNJSNA-BTDLBPIBSA-N 349.247 4.254 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccccc1OC 587871905 PKRWVFKYJNZVMU-UHFFFAOYSA-N 326.371 4.145 0 1 EIAF O=C(c1cc(-c2ccccc2)on1)n1nc2cc1Oc1ccc(F)cc1-2 587874711 ITSXKMQSBFDAPP-UHFFFAOYSA-N 347.305 4.138 0 1 EIAF O=C(O)CCCCCCCCCCCCc1nc2ncc[nH]c-2n1 587957577 OAKIBZZEMLIUIV-UHFFFAOYSA-N 332.448 4.223 0 1 EIAF O=C1OCc2cc(-c3ccc(-c4ccc5c(c4)COC5=O)s3)ccc21 653717425 CHNRCYWYURJXHQ-UHFFFAOYSA-N 348.379 4.423 0 1 EIAF COc1nc2ccccc2cc1/C=C/c1noc(-c2ccccc2)n1 653805745 BFXKHFPKEMSWBM-VAWYXSNFSA-N 329.359 4.464 0 1 EIAF CCCn1nc(C)cc1[C@H]1c2ccsc2CCN1Cc1ccco1 962711017 SKIJSJONUVQVJJ-LJQANCHMSA-N 341.480 4.404 0 1 EIAF CC[C@@H]1C[C@@H]([C@H]2c3cccc(Br)c3CCN2C)CCO1 963290789 YOGLTIZMVCTCBC-AHIWAGSCSA-N 338.289 4.183 0 1 EIAF COc1cc2cnnc(Nc3ccc(Cl)cc3F)c2cc1OC 1772584351 HPCCJDNXFIYPPQ-UHFFFAOYSA-N 333.750 4.183 0 1 EIAF O=c1oc2ccccc2c2c1N[C@H](c1ccccc1)[C@H]1CCCO[C@@H]21 1772585760 ROMMYAHTQUEANY-XFQXTVEOSA-N 333.387 4.428 0 1 EIAF CCc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 1857575358 XGMLDLIQPBNBKI-UHFFFAOYSA-N 338.407 4.332 0 1 EIAF CO[C@H]1CCCc2[nH]c(=Nc3ccccc3C(F)(F)F)sc21 1857774856 FYTZKBANVSGSKP-LBPRGKRZSA-N 328.359 4.351 0 1 EIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3C=C[C@@H]4C[C@@]3(CC[C@H]12)C[C@@]4(C)O 2356650968 YAEBBOYLVMTKML-VTINZAFFSA-N 346.511 4.489 0 1 EIAF COC[C@H](CC=Cc1ccc(O)cc1)[C@@H](OC)c1ccc(O)cc1 2356681320 PYPQUQKGAGXEHZ-PXNSSMCTSA-N 328.408 4.151 0 1 EIAF O=c1c(Sc2ccccc2)c(C(F)(F)F)[nH]n1-c1ccccc1 13153279 FGFFWXXJHSPOGX-UHFFFAOYSA-N 336.338 4.336 0 3 EIAF COc1ccc(-c2c(O)[nH]c3cc(Cl)cc(Cl)c3c2=O)cc1 13727261 IEZITYYNMLSDRX-UHFFFAOYSA-N 336.174 4.216 0 1 EIAF C[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 14943895 YLCLGDNMRKSMDS-CJGUPOHFSA-N 347.283 4.046 0 1 EIAF COc1ccccc1CSc1nnc(Nc2ccc(C)cc2)[nH]1 14964109 NBAWRRSKESPCRE-UHFFFAOYSA-N 326.425 4.158 0 1 EIAF CSC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12 36087969 FDHUZZLLTRFCDB-FPPGBKCQSA-N 332.509 4.431 0 1 EIAF Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(F)c1 71318207 PCXUGEQJFVSXDR-UHFFFAOYSA-N 347.802 4.492 0 1 EIAF CC(C)C(=O)Nc1ccc2nn(-c3ccc(Cl)c(Cl)c3)nc2c1 72176463 VLFQFOKIAIQBAF-UHFFFAOYSA-N 349.221 4.322 0 1 EIAF CC(C)c1nccn1Cc1coc(-c2ccccc2Br)n1 72185789 FHRCLCVQZZSZNY-UHFFFAOYSA-N 346.228 4.472 0 1 EIAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1c(F)cccc1n2CC[18F] 102897167 SXUZXNFBYGVZCD-IKHODTEVSA-N 333.413 4.038 0 1 EIAF COc1ccc([C@H]2CC(c3ccccc3)=Cc3n[nH]c(O)c32)cc1OC 103169574 PYHNFNNRLIMZOF-MRXNPFEDSA-N 348.402 4.209 0 1 EIAF CCOc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103237063 DAUOFACYVCSTFD-UHFFFAOYSA-N 349.434 4.095 0 1 EIAF CCS(=O)(=O)c1ccccc1-c1nc2cc3ccccc3cc2[nH]1 586921573 DNNKYDXQXUSEIR-UHFFFAOYSA-N 336.416 4.177 0 1 EIAF CC(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586982822 QKITZIUFHNPMDD-UHFFFAOYSA-N 343.180 4.008 0 1 EIAF COc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1OC 587152323 LWMDAEMDBAOANC-GHMZBOCLSA-N 330.334 4.129 0 1 EIAF Cc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168363 IRWDYINLCTZSST-UHFFFAOYSA-N 333.370 4.136 0 1 EIAF Cc1nc2cccc3c2c(c1CC(C)(C)C(=O)O)-c1ccccc1C3=O 587206185 BFPHIBAACFGXKO-UHFFFAOYSA-N 345.398 4.408 0 1 EIAF COc1cc(Cl)cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587420150 ORCOOVDWFUXJFF-DNVCBOLYSA-N 344.794 4.020 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc4c(F)cccc14)[C@@H](C2)C3=O 587429942 XVCHTZRMFDBDPU-HRAATJIYSA-N 334.346 4.476 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C)c1O)CC2=O 587478490 AZSMHQFGEIQWAY-SFHVURJKSA-N 326.392 4.374 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587789004 BHPJOONQFONAKV-PWJLMRLQSA-N 337.236 4.157 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccsc2)N1 587853004 KFNUMDMIRFBXAK-BJOHPYRUSA-N 340.261 4.447 0 1 EIAF Cc1nc(N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c2nn3ccccc3c2n1 653744946 HJRPRSIRPWNTJX-IAMHBRQHSA-N 335.455 4.213 0 1 EIAF CC(=O)c1cc(N)cc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c1 963102709 FCJQZESYGVTDHZ-SFHVURJKSA-N 349.261 4.187 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC1OCCO1)C(C)(C)C 963242947 QTGLBLYRUIPHMI-KKSFZXQISA-N 331.500 4.348 0 1 EIAF CO[C@@]1(C)C[C@H](c2ccc(C)cc2)c2c(c3ccccc3oc2=O)O1 1857750130 RPOKSBKRVVZBBP-IIBYNOLFSA-N 336.387 4.378 0 1 EIAF CC[C@@H](C)C=C(C)C1=Cc2cc3cc(OC)c(=O)oc3c(O)c2CO1 2356478841 VIUBUJAFNAMIAH-LLVKDONJSA-N 342.391 4.371 0 1 EIAF CN1CCCN(CCn2ccc3ccc(-c4ccsc4)cc32)CC1 22939939 JNDHOBPZAWAQFJ-UHFFFAOYSA-N 339.508 4.007 0 1 EIAF CCCCn1nc2c3ccccc3n(CCc3ccccc3)cc-2c1=O 26580239 LMYMCBGRIIZIGT-UHFFFAOYSA-N 345.446 4.346 0 1 EIAF C[C@H]1CN(C[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)C[C@@H](C)O1 29412162 YIAPNVVBPJXYHD-KURKYZTESA-N 337.463 4.130 0 1 EIAF CCCC[C@@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 36177361 VGUKOKATWNDEOI-XKRYSZRTSA-N 343.511 4.307 0 1 EIAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)cn2c1 64513994 JLZIKKQEHIXVSW-UHFFFAOYSA-N 348.427 4.072 0 1 EIAF Cc1ccc(-c2c(CC(=O)O)c(C)nc(CC(C)(C)C)c2CN)cc1 66065873 LTALXTXLWHQVPZ-UHFFFAOYSA-N 340.467 4.040 0 1 EIAF CC1(C)C[C@@](NC(=S)Nc2ccccc2)(c2ccccc2)CCO1 72110440 VMBPWLFEXKYGQX-HXUWFJFHSA-N 340.492 4.458 0 1 EIAF COc1ccc(OC)c(-c2nnc(-c3cc4ccccc4nc3C)o2)c1 103272078 YROYHXYFFGYLHL-UHFFFAOYSA-N 347.374 4.277 0 1 EIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 103639381 YLLZJWOMUFAOPI-LYHOESIGSA-N 349.390 4.156 0 1 EIAF COC(=O)[C@@]1(O)C=CC[C@H]2[C@](C)(CCc3ccoc3)[C@H](C)CC[C@]21C 238780441 QHHZVAQZZDJWAE-AQDHKIAYSA-N 346.467 4.135 0 1 EIAF O=C1CCC[C@H](c2nc3cc(F)cc(Br)c3[nH]2)CC1 586883487 DIAPLZLTOWCADN-QMMMGPOBSA-N 325.181 4.081 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1 587147947 DIVZZBKNTGLFIH-HWKANZROSA-N 348.736 4.452 0 1 EIAF CCCc1nc(-c2nc3cc(C)ccc3[nH]2)nn1-c1ccccc1F 587157183 XPZVBJKXZNARHN-UHFFFAOYSA-N 335.386 4.211 0 1 EIAF CC(C)(C)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587171291 LBBYWLPFUBHIFF-UHFFFAOYSA-N 340.398 4.457 0 1 EIAF Cc1cc(Br)c2[nH]c(CCc3ccc(C)c(N)c3)nc2c1 587250207 JYWWJOLVRFDJRP-UHFFFAOYSA-N 344.256 4.310 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(C(F)(F)F)c1)O2 587381718 KHKXCRVDBSQMSS-HNNXBMFYSA-N 337.297 4.008 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCC[C@@H](C(F)(F)F)C1)O2 587383534 SPPDLSCKPNASNF-FIXISWKDSA-N 327.346 4.280 0 1 EIAF CCSc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587450429 GJGAGAFNMRDBIL-DNVCBOLYSA-N 326.417 4.296 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC(C)C)CC2=O 587476914 BNJAQHRBJDMAKA-HXUWFJFHSA-N 348.439 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(C)cn13)CC2=O 587487423 FPMUGTWKBJDLIR-SFHVURJKSA-N 336.391 4.007 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587936398 KYDCSAXUVBDNIX-YVEFUNNKSA-N 339.439 4.101 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587962469 JMIQZICEYQURGQ-YUMQZZPRSA-N 341.636 4.137 0 1 EIAF CC(=O)c1cc(N)cc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c1 963102707 FCJQZESYGVTDHZ-GOSISDBHSA-N 349.261 4.187 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cnn(-c2ccncc2)c1 963242481 QDIIKSDZKXIUSU-KKSFZXQISA-N 332.451 4.013 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@]4(C)O 2356599078 MQXZRJIHBYXBLW-LGCDCWIJSA-N 334.500 4.466 0 1 EIAF CC(C)=C[C@H]1CC(=CCOc2cc(=O)oc3cccc(C)c23)CO1 2356637388 QYSKIBOKWALCSP-INIZCTEOSA-N 326.392 4.162 0 1 EIAF C[C@@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356864000 UTZOQTBZXWPTNC-ZCDYRWODSA-N 330.560 4.287 0 1 EIAF CCOc1c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2nn1CC 8801877 SSYWEBYCGMNJIZ-CQSZACIVSA-N 343.471 4.154 0 3 EIAF CN(c1ccc2nc(O)c(Cc3ccccc3)nc2n1)C1CCCCC1 6138916 NFJZQCIUJVGMHC-UHFFFAOYSA-N 348.450 4.090 0 1 EIAF CC1(C)CC(=O)c2c(SCCO)sc(-c3ccccn3)c2C1 13472687 MZGKIGRVCYKVPS-UHFFFAOYSA-N 333.478 4.050 0 1 EIAF Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C(=O)O 13531804 JVGXDQXRBGMJEM-UHFFFAOYSA-N 338.285 4.356 0 1 EIAF COc1c([C@H]2COc3cc(O)ccc3C2)ccc(O)c1CC=C(C)C 14819413 ZEJRFMCOSHZBRD-OAHLLOKOSA-N 340.419 4.334 0 1 EIAF endogenous,in-man CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1N2C 26733253 XLFWHXZCZSUEDV-MPTQWLOMSA-N 342.266 4.123 0 1 EIAF CN1CC=C(c2cn(C(=O)Nc3ccccc3)c3ccccc23)CC1 28123884 NZOAIJWMJXUSDU-UHFFFAOYSA-N 331.419 4.440 0 1 EIAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3c(C)noc3C)ccc21 28563296 CBEWCJJVGVJDMZ-LPHOPBHVSA-N 343.423 4.054 0 1 EIAF C[C@@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccncc1 29557244 RJLWFRLLAXAHSU-WOIUINJBSA-N 338.495 4.361 0 1 EIAF CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1)c1ccccc1 34261004 WSFJEDKBRTZTPH-SFHVURJKSA-N 347.351 4.381 0 1 EIAF CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 35273580 UJXAGMVNACHDOG-MOPGFXCFSA-N 325.477 4.114 0 1 EIAF COc1ccc(OC)c(-c2cc(NC3CCC(C)CC3)ncn2)c1 82161438 PQVBOBWAVGKQEA-UHFFFAOYSA-N 327.428 4.151 0 1 EIAF CCC(CC)OC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 100728751 SSMWNQCHCRSYNE-AFYVEPGGSA-N 329.484 4.293 0 1 EIAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cccc3oc4ccccc4c13)C2 101273565 MBRGBUNUYUWPGA-KBPBESRZSA-N 335.403 4.368 0 1 EIAF CC1(C)CCC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12 146107901 PCPIKCFUSRCHFD-GOSISDBHSA-N 348.450 4.091 0 1 EIAF CCC/C=C/COC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253710269 VYMTVUHJJJHELN-ZTVBLCBUSA-N 336.472 4.354 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2cccc(Br)c2[nH]1 586882100 JZZXBDOLXFUERQ-HJWRWDBZSA-N 343.180 4.090 0 1 EIAF Cc1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)co1 586988869 YNSSDRDQDHAVEO-UHFFFAOYSA-N 328.327 4.115 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C)nc2[nH]1 587044506 GQOVIBXSXBAERE-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587088410 MSBBKKVEJSIKHP-QMMMGPOBSA-N 349.278 4.471 0 1 EIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(F)c(F)c2[nH]1 587109359 NBLPXERQHWNYKI-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4ccc(Cl)nc4[nH]3)cc2[nH]1 587120834 WVFNVRBGCZQVML-UHFFFAOYSA-N 337.692 4.173 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc12 587161096 JVBBYUFNMMDSSS-VXGBXAGGSA-N 346.203 4.439 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(C)c1F)[C@@H](C2)C3=O 587426843 QLSKIWIPUQQBSA-BBATYDOGSA-N 332.758 4.285 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccccc2)N1 587815197 KORQGWSUHXRWFB-QLJPJBMISA-N 348.215 4.046 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C 587827292 JJDVVFFNMRPCRS-FVMDXXJSSA-N 338.220 4.422 0 1 EIAF CCC[C@@]1(C2CCNCC2)NCCc2cccc(-c3ccccc3)c21 962665695 JGISNYIPSHGKBQ-QHCPKHFHSA-N 334.507 4.494 0 1 EIAF CC(=O)C[C@]1(c2ccccc2F)c2c(F)cccc2C[C@H]2CCCN21 963092251 AMIWPYGMOZOOJB-IERDGZPVSA-N 341.401 4.208 0 1 EIAF CC[C@@H](C)c1ccc(-n2cccc2[C@H]2c3c(cnn3C)CCN2C)cc1 963955139 NXUGXQWZYKHKOF-ZHRRBRCNSA-N 348.494 4.302 0 1 EIAF CC(=O)Nc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1 1857577723 GJGLKZHILYWLRI-UHFFFAOYSA-N 334.404 4.083 0 1 EIAF O=C(O)C[C@H](C=CCCCCCCCC[C@@H]1C=C(CO)CC1)CO 2356366491 KFPSXIUIQQIXCJ-ROUUACIJSA-N 338.488 4.075 0 1 EIAF COC(=O)C1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 2356722698 NVMUULOVKGJDTI-IIMDRIAPSA-N 346.467 4.135 0 1 EIAF COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12 7453 ADQZGIYHFQQPRB-UHFFFAOYSA-N 334.354 4.022 0 3 EIAF in-vivo O=C1SC(SCc2ccccc2)=N[C@@]12C[C@@H]2c1ccccc1 1658329 LIJGKDZNDFHBDY-CRAIPNDOSA-N 325.458 4.476 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)O[C@@]4(C)CC[C@@H]32)C1 13111117 KCXUMZXWLRGXME-GVNFVFRUSA-N 348.483 4.256 0 1 EIAF O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 13475338 YFONOXVYUGNQML-UHFFFAOYSA-N 348.427 4.043 0 1 EIAF FC(F)(F)Oc1ccc(C2=N[C@@H](c3cccc(Cl)c3)CN2)cc1 28948576 YIGHPSGDRBAGJZ-CQSZACIVSA-N 340.732 4.330 0 1 EIAF CCC(=O)[C@@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@@H]2CC[C@H]1N2C 29325108 NBXHPPSAAQZXHP-RJJVWVDVSA-N 337.463 4.394 0 1 EIAF CN1CCC[C@H]1Cc1c[nH]c2ccc(NC(=N)c3cccs3)cc12 34806125 NXMUTZARWRLWNI-HNNXBMFYSA-N 338.480 4.304 0 1 EIAF CCN(CC)C(=S)Nc1sc(-c2ccccc2)cc1C(=O)O 42921457 NNGNTYQMSCXTMG-UHFFFAOYSA-N 334.466 4.152 0 1 EIAF C[C@@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]21CCC(=O)O1 44830890 UJVLDDZCTMKXJK-JHNTZSPXSA-N 340.463 4.370 0 1 EIAF O[C@H](Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl 95576772 QQLQMLIMLXODOV-MRXNPFEDSA-N 340.254 4.366 0 1 EIAF CCc1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 96168050 VSMQJALIZNYSTC-UHFFFAOYSA-N 330.391 4.333 0 1 EIAF CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2Cc1ccoc1 100648110 HEYXXBUDMDVUNQ-TYPHKJRUSA-N 325.452 4.490 0 1 EIAF in-vivo COc1ccc([C@H](O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 100834340 AFWLTZMAQCSANY-XMGTWHOFSA-N 337.463 4.426 0 1 EIAF C[C@@H](Nc1ncnc2c1cnn2CCc1ccccc1)c1ccccc1 103253408 JYWCCUAHWOZSAU-MRXNPFEDSA-N 343.434 4.242 0 1 EIAF Sc1nnc(SCc2nc3cc4ccccc4cc3[nH]2)s1 587025204 JGLYYAKURAYPPZ-UHFFFAOYSA-N 330.463 4.149 0 1 EIAF CCCc1c2c(nc3cc4c(cc13)OCCO4)-c1c(N)cccc1C2 587211459 QPJKRUFHBYBAIH-UHFFFAOYSA-N 332.403 4.112 0 1 EIAF CSc1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1 587245426 RLEILAOSNBDPQC-UHFFFAOYSA-N 340.452 4.331 0 1 EIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(C)(C)C)cc3[nH]1)C2 587247637 VLFHCPJNEPCVBL-QFIPXVFZSA-N 349.478 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCNc3cc(Cl)ccc31)O2 587380057 OWVOSFTXFMWDLN-LJQANCHMSA-N 342.826 4.297 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1)[C@@H](C2)C3=O 587418476 BJPJHDZDDYEQKC-KXBFYZLASA-N 328.795 4.097 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(F)cc1)[C@@H](C2)C3=O 587427136 GYWJUZNOXIIJKK-HRAATJIYSA-N 349.361 4.114 0 1 EIAF CC/C=C/CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525250 UDKWORAYPBKCIJ-FNEOHHHZSA-N 342.435 4.189 0 1 EIAF C[C@H](O)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529802 DSMWYSBDZRZOSP-LHSJRXKWSA-N 336.431 4.195 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(F)(F)F)N1 587708594 BRRRMZMJWDNLRV-KBUNVGBDSA-N 326.131 4.116 0 1 EIAF COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1C 587925630 FNKDGORCGBUSTH-CYBMUJFWSA-N 340.423 4.243 0 1 EIAF COc1ccc(/C=C/Cc2nc3cc(F)c(F)c(F)c3[nH]2)c(OC)c1 587931240 ZWHLQCQUTIKLAZ-ONEGZZNKSA-N 348.324 4.253 0 1 EIAF CC[C@@]1(Cc2nc3cc(Cl)cnc3[nH]2)CC(=O)c2ccccc2C1 587959096 CKMUDHNBCXFRHL-IBGZPJMESA-N 339.826 4.379 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC[C@@H](c3nccn3C)C2)N1 962958610 UTRIJBPJZZSODT-XCGNWRKASA-N 348.494 4.379 0 1 EIAF Cc1ccc(-c2csc(N3C(=O)c4ccc(F)cc4C3=O)n2)cc1 1772601197 CEBMSLROGDSECF-UHFFFAOYSA-N 338.363 4.058 0 1 EIAF CC[C@@H](O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1-c1cn[nH]c1 1772611342 SAUMCUQQDUAVFI-VBKZILBWSA-N 349.434 4.011 0 1 EIAF CC(C)(C)Cc1nsc2cc(N=c3[nH][nH]c4cccnc34)ccc12 1857556160 JLGJJZWNRPZYGH-UHFFFAOYSA-N 337.452 4.322 0 1 EIAF Cc1oc2ncnc(Nc3cccc(Cl)c3)c2c1C(=O)NC(C)C 1857648427 QNMKFEXQOKUEEO-UHFFFAOYSA-N 344.802 4.066 0 1 EIAF O=C(NC1CCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 203475155 LPXCOVVJYWLTJI-UHFFFAOYSA-N 346.862 4.048 0 3 EIAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4054144 COOIPXQHCJBQEW-PZJWPPBQSA-N 344.414 4.020 0 1 EIAF COc1cc(-n2cncc2-c2ccc3[nH]ccc3c2)cc(OC)c1OC 13473116 DYLSGSBLJXKJLY-UHFFFAOYSA-N 349.390 4.046 0 1 EIAF c1cncc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 19328096 UNYHVNRWJOVJSI-NNWRFLSQSA-N 344.462 4.029 0 1 EIAF Clc1ccc(CCN2CCCC[C@H](N3CCCC3)C2)cc1Cl 22935728 OQGQWYZQJYEGSJ-INIZCTEOSA-N 341.326 4.486 0 1 EIAF Cc1cccnc1N1C(=O)CS[C@H]1C12CC3CC(CC(C3)C1)C2 28713270 GLYOBTMIDBTEEP-ZSWVUIPGSA-N 328.481 4.012 0 1 EIAF O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1 29392022 JWVVPTYSQPJIFV-QZTJIDSGSA-N 343.492 4.394 0 1 EIAF O=C(c1ccc(O)cc1)c1oc2cc(O)ccc2c1-c1ccc(O)cc1 29414964 NVEZSXQZYSZGBM-UHFFFAOYSA-N 346.338 4.448 0 1 EIAF COc1cc(C(=O)c2sc3ccccc3c2C)cc(OC)c1OC 53230855 REDNGQCJUOFBER-UHFFFAOYSA-N 342.416 4.467 0 1 EIAF O=C(O)c1cc(-c2ccccc2)c(=O)n2c1sc1ccc(F)cc12 82152915 ITDJUBDHNPWRLM-UHFFFAOYSA-N 339.347 4.019 0 1 EIAF O=C1[C@H]2[C@@H]3CCC[C@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 101012582 KZFJZNKZNIRSKS-FKGLVLAHSA-N 337.341 4.021 0 1 EIAF C[C@@H]1CCCN1c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144789371 QGWYSTBAKRATDB-XIKOKIGWSA-N 333.353 4.454 0 1 EIAF COc1ccc(N2C(=O)C3(CCCC3)[C@@H]2c2ccccc2OC)cc1 169324271 UALZPMHIFYQHGN-IBGZPJMESA-N 337.419 4.352 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1COC(=O)C1 238745425 ADMUMPSVQUEYSC-KIJMYCCXSA-N 334.456 4.193 0 1 EIAF Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1C 587004428 VALTUTIBABHUHE-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Oc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)c1 587053626 HBLMGIMRRUTLJM-UHFFFAOYSA-N 328.677 4.488 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3cc(Cl)ncc3[nH]2)ccn1 587091583 MACKCGKPMUJIRI-UHFFFAOYSA-N 344.749 4.328 0 1 EIAF O=C1CCc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cc2N1 587111432 CRHYHKUXFMFZKO-UHFFFAOYSA-N 331.297 4.133 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2ccc(Br)cc2[nH]1 587132982 NBTMMJTUJWEYEN-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF Cc1ccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1N 587250552 LSIVKNHEXZTDCX-UHFFFAOYSA-N 335.329 4.137 0 1 EIAF Nc1ncccc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587254349 RTMMZTNFGJFFAC-UHFFFAOYSA-N 332.432 4.282 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccsc1Br)O2 587412128 XLCSNQKHQQPMHA-GFCCVEGCSA-N 338.226 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(-c3ccccc3)n1)CC2=O 587479027 XRFCESYXLUPJOC-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2C1CC1 587604341 TXKJMGKYEGLFKF-UQASEVPWSA-N 336.387 4.303 0 1 EIAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2ccc([C@H](C)CC)cc12 587641547 HDSLHKVTDDYJPT-GFCCVEGCSA-N 325.412 4.259 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccncc1 587865865 MKFWHWHBZXJICX-UHFFFAOYSA-N 333.313 4.352 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3nc(C(F)(F)F)cs3)n1)O2 587873443 BQZPWMQBRRKCJK-UHFFFAOYSA-N 327.262 4.259 0 1 EIAF Oc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945356 MRTMJVFFFDBERD-UHFFFAOYSA-N 325.339 4.309 0 1 EIAF c1ccc(COc2cccc3s[nH]c(=Nc4cccnc4)c23)cc1 1857760854 GUJHRELZMJHCNV-UHFFFAOYSA-N 333.416 4.436 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@H]2[C@@]1(C)C=Cc1ccoc1 2356486065 CZISMHZGGMHTGB-UCBGIHAFSA-N 330.424 4.127 0 1 EIAF CC[C@H](O)[C@H](O)CC=CCC=CCC=CCC=CCCCC(=O)O 2356546054 XYDVGNAQQFWZEF-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF COC[C@]1(C)C(=O)CC[C@]2(C)c3cc(O)c(C(C)C)c(O)c3CC[C@@H]21 2356638680 NNFYPMHXMLVZMN-DQLDELGASA-N 346.467 4.057 0 1 EIAF CCCCC(=O)N(C)c1c(CC)nc2c(OCC=C(C)C)cccn12 61898745 NRFHKEPLFZPWAY-UHFFFAOYSA-N 343.471 4.395 0 3 EIAF CC(C)(C)[C@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@H]2OCCCO 254095624 FAXGGTWJRHCGMH-TUNNFDKTSA-N 345.527 4.201 0 3 EIAF COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCCC(C)(C)[C@H]1CC2 1866549 DEZJLRNOZZMFMJ-DYESRHJHSA-N 344.451 4.290 0 1 EIAF COC(=O)C(=O)Nc1cc(C)c(Oc2cccc(C(C)C)c2)c(C)c1 13602426 ABNYOHVDUONPRS-UHFFFAOYSA-N 341.407 4.331 0 1 EIAF CCOC(=O)/C(C)=C\c1ccc(Cc2cccnc2)n1-c1ccccc1 27993139 KZWCOWFZMDCYRZ-VKAVYKQESA-N 346.430 4.430 0 1 EIAF COc1cc2c(cc1OC)CN(Cc1ccc3cc(O)ccc3c1)CC2 29063508 JFAYTFXDARWVEK-UHFFFAOYSA-N 349.430 4.121 0 1 EIAF Oc1ccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)cc1 72101738 GCGBAYJRMWGQKK-UHFFFAOYSA-N 348.324 4.356 0 1 EIAF c1ccc2c(-c3nc(CNCCCN4CCCC4)co3)cccc2c1 72181586 ANUGAXCKIAFHFB-UHFFFAOYSA-N 335.451 4.070 0 1 EIAF COc1cccc(/N=c2\[nH]ccc3[nH]c(-c4ccc(C)cc4)nc23)c1 74386706 VKRZPWDVDYWENT-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 116240998 SPAUOSZMLGYUAB-UHFFFAOYSA-N 328.778 4.130 0 1 EIAF Cc1ncsc1CCc1nc2cc(Br)cc(C)c2[nH]1 587026360 CMONBQMGRHWLET-UHFFFAOYSA-N 336.258 4.184 0 1 EIAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cncnc3[nH]2)c1 587094564 BRWBNAGQRUJSJJ-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF Cc1c(Br)cc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1C 587194864 CJEYZKFIRDUGDQ-UHFFFAOYSA-N 345.244 4.070 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](Oc3ccccc3)C1(C)C)O2 587404611 YHCPSSNQRSUWGG-WIYYLYMNSA-N 337.419 4.159 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4cccc(F)c4CC[C@@H]1C)[C@@H](C2)C3=O 587429622 VVXQCSLTKLPAJP-SBOBAANCSA-N 338.378 4.060 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(O)ccc31)CC2=O 587477203 DVPLUUZDRLQFAZ-OAQYLSRUSA-N 338.403 4.247 0 1 EIAF O=C1C[C@](c2ccccc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587525794 OASJCDHTOHZFHU-QFIPXVFZSA-N 344.414 4.198 0 1 EIAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(C2CCCCC2)cc1 587562123 YQSPJESKDRHCSB-UHFFFAOYSA-N 335.407 4.459 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)Cl)N1 587708527 YQKCNBHTZNISOC-UPONEAKYSA-N 342.586 4.169 0 1 EIAF COc1ccccc1CN=c1[nH]nc(-c2ccccc2)c2ccccc12 1857618156 MNULTCRJUNUENU-UHFFFAOYSA-N 341.414 4.339 0 1 EIAF O=C(Nc1cc(Nc2cccc(Cl)c2)ncn1)c1ccc(F)cc1 1857772001 DZHQGAKFFNXEAS-UHFFFAOYSA-N 342.761 4.265 0 1 EIAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@]1(O)C2 2356550786 ZCINKZJXUAGQKT-DSYPUSFNSA-N 334.456 4.332 0 1 EIAF CC=C1[C@H]2C[C@@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@@H]1OC)CCN3C 2356756218 JBSGCOASAIDQQP-MFXKZOTRSA-N 338.451 4.028 0 1 EIAF O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 4238170 VAIZKLUIVOWZJQ-NRFANRHFSA-N 336.435 4.178 0 1 EIAF Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 13588896 CBTOAMWHNBWRPX-UHFFFAOYSA-N 335.190 4.277 0 1 EIAF CCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1Br 13794389 OAKOEWAXBVBQNA-UHFFFAOYSA-N 336.233 4.023 0 1 EIAF CCCCCCNC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 26499364 ZDJZFDUXRZUEIT-CUYWWIOKSA-N 337.504 4.151 0 1 EIAF CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1 28474615 CUNQKCACGATRIH-UHFFFAOYSA-N 337.398 4.352 0 1 EIAF Cc1c(NC2CC2)nc(Cc2ccccc2)nc1N1CCCCCC1 34802291 AJIDPCFITULIMR-UHFFFAOYSA-N 336.483 4.331 0 1 EIAF Oc1cccc(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 40936877 IBJYSTSPVUKKIS-UHFFFAOYSA-N 332.285 4.007 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cccc(F)c1F 72101525 SQIGGKCRRDBUFQ-SFHVURJKSA-N 331.749 4.297 0 1 EIAF COc1cc2ncnc(Nc3ccccc3C(F)(F)F)c2cc1OC 95588440 XENVBHIMDXYJEE-UHFFFAOYSA-N 349.312 4.409 0 1 EIAF Cc1cccc(Nc2sc(-c3ccc(F)cc3F)cc2C(N)=O)n1 169311911 AGPCFCFLRORQFL-UHFFFAOYSA-N 345.374 4.239 0 1 EIAF COc1ccc(C)cc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12 226088263 IXCNWTDYHJDAGL-UHFFFAOYSA-N 335.451 4.356 0 1 EIAF COc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OC(C)(C)C=C4 238733348 GYCYIUKEDMRHDH-JXFKEZNVSA-N 336.387 4.489 0 1 EIAF Cc1oc2c(c1-c1nc3ccc(Br)cc3[nH]1)C(=O)CCC2 586904358 SYJHTAQRGVVSLM-UHFFFAOYSA-N 345.196 4.413 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587068112 YZFGSLCEMWQXQY-HWPZZCPQSA-N 344.802 4.388 0 1 EIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)cc2[nH]1 587079317 IOOHTEBYFGKQMJ-CYBMUJFWSA-N 328.778 4.079 0 1 EIAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2CC4)-c2ccccc21 587214861 WENKHJNPXVWMOL-GOSISDBHSA-N 329.399 4.203 0 1 EIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(F)c3[nH]2)c1 587242673 YZSXRGIOIBPQIY-UHFFFAOYSA-N 343.358 4.422 0 1 EIAF CCOC(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587252475 WUZFARUVTVWDNE-UHFFFAOYSA-N 331.375 4.142 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)cc1Cl)O2 587373317 CPTDPGMXBPZRIW-KRWDZBQOSA-N 330.815 4.003 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccco4)cc1)[C@@H](C2)C3=O 587455736 PYKRAPZELBWCBG-KKSFZXQISA-N 332.355 4.444 0 1 EIAF COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587518344 GGMSUKRPMUKJMV-GOSISDBHSA-N 337.419 4.292 0 1 EIAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587522182 GCOHCWZIVKBSBA-HXUWFJFHSA-N 338.403 4.376 0 1 EIAF CCCC[C@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587527213 WRQVOSWETSAADL-OAQYLSRUSA-N 344.451 4.413 0 1 EIAF O=C1C[C@@H]([C@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 587535650 MTTVXMKVZWFMIL-IERDGZPVSA-N 334.415 4.151 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(F)(F)F)N1 587709291 KEKNZFKPDIVGNL-MADCSZMMSA-N 340.158 4.290 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(OC)c(F)c1 587870897 KQXLLVVXJPWLCG-UHFFFAOYSA-N 330.334 4.225 0 1 EIAF CCOc1ccc(-c2ccc([C@@H]3NCCc4c(C)ccnc43)o2)cc1 963066346 GVMURYFBOKKBPX-NRFANRHFSA-N 334.419 4.284 0 1 EIAF Clc1cc(Cl)c2c(c1)C1(NCC2)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@H]21 963110460 POBOXYMRYQSURK-YRUCZLECSA-N 332.274 4.112 0 1 EIAF Clc1ccc(OCCCCOc2cccc(-c3cnn[nH]3)c2)cc1 1857755640 ZUDLOIGVGNXZJD-UHFFFAOYSA-N 343.814 4.363 0 1 EIAF CCCC=C[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 2356788648 CFSCKWTUQVLIEG-BEFAXECRSA-N 346.423 4.189 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@](C)(O)CCC[C@]23c2c(O)ccc(O)c2C[C@@]13C 2356794192 KZOZFNNSDNJQOZ-YTLCKGPVSA-N 330.468 4.269 0 1 EIAF COc1cc2c(cc1OC)CN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 761359 SCXFGMGLNMAOAA-ROUUACIJSA-N 327.468 4.054 0 1 EIAF O=C(NCCc1c[nH]c2ccccc12)c1csc2c1CCCCC2 5070396 NSNYNNIKAIPLDZ-UHFFFAOYSA-N 338.476 4.471 0 1 EIAF Clc1c(Cl)c(Cl)c2c(nnn2[C@@H]2CCCO2)c1Cl 5600397 SJJIYQLKZGNSEF-BYPYZUCNSA-N 326.998 4.354 0 1 EIAF CC[C@@H]1CN(C)CC[C@@H]1CC[C@@H](O)c1ccnc2ccc(OC)cc12 14684824 RDFOTJWPILJKAI-VWKPWSFCSA-N 342.483 4.035 0 1 EIAF biogenic O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc21 14976992 MLIMBSAWKFKEOR-INIZCTEOSA-N 326.392 4.039 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1ccccc1C(=O)N1CCCCC1 26248391 LOBYZQIKIXRYHW-UHFFFAOYSA-N 341.838 4.392 0 1 EIAF CCN[C@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 28237415 GKDCVGNKESHKGU-GJZGRUSLSA-N 329.271 4.267 0 1 EIAF Cc1cc([C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C)CC2)sn1 28247144 IYOXSRHQUBKYKD-IBGZPJMESA-N 343.540 4.086 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccccc2)N3C)cc1 34007559 HIQHQNWJRSNELD-PBASOCQRSA-N 335.447 4.167 0 1 EIAF Cc1c[nH]c(CCNC(=O)c2cc(-c3ccc(Cl)cc3)cs2)n1 45303062 QHWPGTFFPKXHKE-UHFFFAOYSA-N 345.855 4.073 0 1 EIAF Cn1c2ccccc2c2c3c(ccc21)CN(Cc1ccccn1)CO3 49808592 OQWRHRSWIJMKEL-UHFFFAOYSA-N 329.403 4.079 0 1 EIAF Oc1ccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72113648 VPYNHRKLYQWUEA-FQEVSTJZSA-N 331.419 4.191 0 1 EIAF O=C(O)C[C@H](Cc1nc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1 72116254 XNAHGULMSKVKPJ-NSHDSACASA-N 332.762 4.156 0 1 EIAF Cc1ccn2c(C(=O)NCc3ccc(Cl)c(Cl)c3)c(C)nc2c1 73279704 WNTNMSZWLJSNPJ-UHFFFAOYSA-N 348.233 4.188 0 1 EIAF CCOc1ccc(C(=O)Nc2ccc(CC[C@H]3CCCN3)cc2)cc1 117721663 CZZGZHJLWIOGGY-GOSISDBHSA-N 338.451 4.022 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2cncc(Br)c2[nH]1 587012822 VCYCXWKCXVNLFH-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF CCc1ccc(-c2nc(-c3nc4cncc(OC)c4[nH]3)cs2)cc1 587016304 UYAGMSYKHILCBC-UHFFFAOYSA-N 336.420 4.319 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587067644 ITHPARJBOMIBDN-SECBINFHSA-N 342.786 4.247 0 1 EIAF Cc1cncc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587076145 KAZDRUSKDKEAQB-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF FC(F)COc1cccc(-c2nc3c4c(ccc3[nH]2)CCCC4)n1 587126084 VQNRRLWKTLLUPE-UHFFFAOYSA-N 329.350 4.148 0 1 EIAF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cccc3c2c1CC3 587210571 RMEZPAFJXKMQTC-UHFFFAOYSA-N 341.769 4.420 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(C(F)(F)F)ccc31)O2 587381828 ICTWIZQZDFELIS-GOSISDBHSA-N 347.336 4.403 0 1 EIAF CCCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587400865 SBRSTHVDPXZTRB-SFHVURJKSA-N 341.407 4.081 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(O)c1F)CC2=O 587465283 GLLCGOQHLZFVTB-OAHLLOKOSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S)c(OC)c1)CC2=O 587491636 MJXCKXHWHHCWEW-MRXNPFEDSA-N 344.432 4.349 0 1 EIAF O=C1C[C@@H](c2c(O)cc(F)cc2F)Oc2c1ccc1c2CCCC1 587506472 NVTCQNAOKXVBJM-KRWDZBQOSA-N 330.330 4.256 0 1 EIAF COc1cc(N)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587507219 BEAVADOXWMNTDS-OAQYLSRUSA-N 337.419 4.037 0 1 EIAF O=C(O)c1ccc(Cl)c(-n2nc3cc2Oc2ccc(F)cc2-3)c1 587872567 NVJHULJMEJLFPI-UHFFFAOYSA-N 330.702 4.136 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587938547 XDSMHHSCVVTVMO-ABKXIKBNSA-N 334.778 4.201 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)NCC2 962145924 NFUVHJQTKGQXTD-LJQANCHMSA-N 341.817 4.413 0 1 EIAF CCN(C)C(=O)Oc1cc([C@@H](C)N(CC)CC)cc2cccnc12 1857578484 RPWAQWOTIMAIOH-CQSZACIVSA-N 329.444 4.088 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@@]21C 2356582350 GBHOTPKNLQPMRP-VPZFNDQJSA-N 330.424 4.028 0 1 EIAF CC(C)=CCCC(=CCCC(C)=CCCC(=CCO)CO)C(=O)O 2356691355 GWVCYAYKRPLWGK-UHFFFAOYSA-N 336.472 4.162 0 1 EIAF Cc1c(O)cc2c3c1[C@H](C)[C@H](C)O[C@@H]3C[C@H](c1ccc(O)cc1)O2 2356718659 BXIIDDHHSRQLLO-IGMLBDDESA-N 326.392 4.493 0 1 EIAF CC(=O)Nc1cccc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)c1 2661289 VJVJCUYVDSAYFF-UHFFFAOYSA-N 346.386 4.270 0 3 EIAF O=C(Nc1ccc(F)cc1)OCCCN1C(=O)CCC12CCCCC2 96019295 QCQVLQNRVYRYKK-UHFFFAOYSA-N 348.418 4.090 0 3 EIAF CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 2478301 VIIJWBYHBRMTCV-UHFFFAOYSA-N 328.343 4.271 0 1 EIAF FC(F)(F)c1ccccc1-c1cncnc1NCc1cccnc1 4258412 ASCGYPPXVZBQFL-UHFFFAOYSA-N 330.313 4.170 0 1 EIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N(C)C 4294938 YIKNYTSAYCYFLJ-RTBURBONSA-N 346.471 4.187 0 1 EIAF N[C@@H](CC(O)(c1ccccc1)c1ccccc1)c1ccccc1S 6574835 ZLBXUJKEJGQLHH-IBGZPJMESA-N 335.472 4.301 0 1 EIAF CCCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(OC)cc12 13740886 PKHOJJFCHHLNMB-UHFFFAOYSA-N 336.435 4.302 0 1 EIAF CCO[C@H]1C[C@H](c2ccccc2)Oc2c(C)c(O)c(C=O)c(OC)c21 15217550 HCPPRMOLMNXCDR-CVEARBPZSA-N 342.391 4.123 0 1 EIAF biogenic CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937776 JBFVCXODUHNOEN-UYAOXDASSA-N 344.861 4.303 0 1 EIAF C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1 28344728 GGBGQOLEDWWRQA-FJEFMNTOSA-N 333.516 4.301 0 1 EIAF c1ccc2cc(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)ccc2c1 28653614 NWPBCZNZFCURCH-FGZHOGPDSA-N 339.479 4.042 0 1 EIAF COC1=CC[C@@H](CCN2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)C=C1 38147807 SDSADBCGGXETBG-OXJNMPFZSA-N 343.492 4.374 0 1 EIAF O=C1O[C@H](COc2cccc(C(F)(F)F)c2)CN1c1ccccc1 49116321 NJNOUJKWQIUPFL-HNNXBMFYSA-N 337.297 4.110 0 1 EIAF CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O 72105321 QHJZLAPCYMEMFC-UHFFFAOYSA-N 340.854 4.437 0 1 EIAF COc1ccc([C@@H]2OC(c3ccc4ccccc4c3)=NN2C(C)=O)cc1 82154100 DDCJBXAKXHRRIL-NRFANRHFSA-N 346.386 4.088 0 1 EIAF CCOc1ccc(-c2cc(NCCc3ccccc3F)ncn2)cc1 82160290 PHEIPEBOPHDVHP-UHFFFAOYSA-N 337.398 4.336 0 1 EIAF CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(C=O)s1 95581274 HVQRAUAUXIIQLZ-LJQANCHMSA-N 348.427 4.356 0 1 EIAF COc1ccc(-c2cc(-c3ccccc3O)nc(=S)[nH]2)cc1OC 103223102 FLZLUZWZUKHGKS-UHFFFAOYSA-N 340.404 4.196 0 1 EIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)Nc1ccc(C(F)(F)F)cc1 117716364 KNUIFKKSUHQDET-ZDUSSCGKSA-N 349.356 4.426 0 1 EIAF CCOC(=O)c1c(O)nc(C)c(CC)c1O[C@@H]1CCC[C@H](C)[C@H]1C 253761519 WSTNUSIDCUJELH-YWPYICTPSA-N 335.444 4.038 0 1 EIAF Fc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029732 SXMHXQCESIHRGO-UHFFFAOYSA-N 349.394 4.224 0 1 EIAF Cc1ccc2c3c(cc(-c4cnn(C)c4)nc13)-c1ccccc1C2=O 587097137 LQILOICIYVDSJI-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF Fc1c(Br)ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587176786 RKGHLNNWYWTWJF-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF Cc1cncc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587224799 HLCFPDOXYOMJEL-OAHLLOKOSA-N 330.432 4.022 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC(C)C)cc1)O2 587398854 FSZWUQKZEVIGIY-HXUWFJFHSA-N 325.408 4.245 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(C)cc4)on1)[C@@H](C2)C3=O 587435093 BSOVOQBCSSWFNU-YCRPNKLZSA-N 347.370 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]ncc3c1)CC2=O 587484950 OWVXYMNAVWDFKB-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF CC(C)COc1cccc(OCc2nc3ccc(Cl)nc3[nH]2)c1 587566080 SWYWANUWBAQDPL-UHFFFAOYSA-N 331.803 4.225 0 1 EIAF C=C=C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601078 QPVFARHYMKXPHX-DYESRHJHSA-N 336.387 4.480 0 1 EIAF CC[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656410 ZPIDKSFCHKHMOT-NSHDSACASA-N 342.345 4.028 0 1 EIAF CCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867493 GABAHMBZYDWTQQ-UHFFFAOYSA-N 341.333 4.193 0 1 EIAF COc1cccc(C2(c3nc4cc5cn[nH]c5cc4[nH]3)CCCC2)c1 587932395 DTSOBQWJWFVHRY-UHFFFAOYSA-N 332.407 4.308 0 1 EIAF COc1ccc2c(c1)[C@](C)(c1sc(C)nc1C)N(C(C)C)CC2 962086855 DICMMKXFJPNZNF-LJQANCHMSA-N 330.497 4.299 0 1 EIAF CCC[C@]1([C@H](CC)C(=O)OC)c2c(F)cccc2C[C@@H]2CCCN21 963087394 CMROWYXILWWGSX-YRNRMSPPSA-N 333.447 4.041 0 1 EIAF CC(C)N1[C@H]2CC[C@H]1CC1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963100794 JNBAXSPAEYCSOY-BZSNNMDCSA-N 328.475 4.077 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C1CCCC1)C(F)(F)F 963614157 WNBLKHMHKLNENX-GTNSWQLSSA-N 343.389 4.186 0 1 EIAF COc1ccc2c(=O)cc(-c3ccc(N4CCCCC4)cc3)[nH]c2c1 1772635740 RQWUHJBIYNYIFU-UHFFFAOYSA-N 334.419 4.194 0 1 EIAF COC(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 3956402 HPQWCXKMGODMNW-UHFFFAOYSA-N 336.435 4.022 0 1 EIAF COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1nccs1)CC2 4222625 RLHDIXNQLDWPNY-GXTWGEPZSA-N 344.480 4.148 0 1 EIAF biogenic COc1ccc(CNc2ncncc2-c2ccccc2C)c(OC)c1 4266614 GAASFPWDJUNQGW-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF FC(F)(F)c1ccc(-c2nc(S)n(Cc3ccccc3)n2)cc1 13536830 DUOJFQDFAUWFID-UHFFFAOYSA-N 335.354 4.301 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26386069 YUEVEZWXYBGVTF-VRCGDLOJSA-N 345.527 4.301 0 1 EIAF C[C@@H]1c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 27637876 WSLGQNFHVAUJGW-OAHLLOKOSA-N 332.407 4.040 0 1 EIAF CC(C)(C)c1ccc(NC(=O)c2nccn2CCc2ccncc2)cc1 28822073 IEXXSKYIEAIGJM-UHFFFAOYSA-N 348.450 4.071 0 1 EIAF C[C@@H](NC(=O)c1ccccc1-c1cccc(Cl)c1)C1CCNCC1 49034456 OMSWDVKFMOIECZ-CQSZACIVSA-N 342.870 4.125 0 1 EIAF NCCSC(c1ccccc1)(c1ccccc1)c1cccc(CN)c1 84597112 AQUJPYIMLLARBA-UHFFFAOYSA-N 348.515 4.129 0 1 EIAF O=C(O)c1ccccc1NC(=O)c1ccccc1NCc1ccccc1 84708978 MDWUPHWJWNTQSG-UHFFFAOYSA-N 346.386 4.249 0 1 EIAF Cc1ccc2c(Sc3ccc(C(=O)O)cc3)c(C(=O)O)[nH]c2c1 95580813 HKCWEZGKPNWCMD-UHFFFAOYSA-N 327.361 4.024 0 1 EIAF COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C=CC=C[C@@H]12 102916895 OVHUTOPKMFWCLP-VVJJBPBLSA-N 342.049 4.006 0 1 EIAF O=C1NC[C@H](c2cccc(Cl)c2Cl)N1c1ccc2[nH]cnc2c1 116195528 YVAVPYJCIDFSNA-CQSZACIVSA-N 347.205 4.141 0 1 EIAF COC(=O)C1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1 136406285 NVMUULOVKGJDTI-RYLXDESZSA-N 346.467 4.135 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169368992 QNMBJXHTULXJII-QZLKPZJXSA-N 345.527 4.399 0 1 EIAF C[C@@H]1CCCC[C@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 195407820 PKBWVJIIQVNWAZ-HYFFOGBASA-N 345.527 4.202 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H]2[C@H](C)C(=O)c3occ(C)c3[C@@H]2C=C1C 238757170 MKWWNWBOBCXLHD-USFPHYMSSA-N 328.408 4.348 0 1 EIAF COC(=O)/C1=C/C=C(\C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 238786634 BVJUMQYSTBMEPO-JITPODTASA-N 348.483 4.097 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 586881412 FLUABWJIVAFQHQ-UHFFFAOYSA-N 340.810 4.453 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@H](N(C)C)C4)-c1ccccc1C2=O 586996827 PURIGAHRZBOQEV-AWEZNQCLSA-N 342.442 4.174 0 1 EIAF Fc1cnc(Cl)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587020950 DMKVUMOKAGKQLH-UHFFFAOYSA-N 344.802 4.465 0 1 EIAF Clc1ccc(-c2nc3cnc(Br)cc3[nH]2)nc1Cl 587084181 ITYJELZKDLXNSS-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(F)cnc3[nH]2)c1 587157784 CUOLQWDUYJBKKT-UHFFFAOYSA-N 347.328 4.242 0 1 EIAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378174 MQHGIZQSMLICBC-ZUZCIYMTSA-N 347.846 4.413 0 1 EIAF CCOc1cccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c12 587396855 QHMNJNRBKIWXDV-GOSISDBHSA-N 336.391 4.164 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3sc(C=O)cc3s1)O2 587412364 ASSYAZRQZOXEFI-CYBMUJFWSA-N 343.429 4.372 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4c(C)c(C)ccc4[nH]1)[C@@H](C2)C3=O 587438758 QQKUYDSEICXSEB-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF O=C1C[C@H](c2cnn(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587517629 RHRMBIUTRAIZPH-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF C[C@]1(c2ccc(C=O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530273 DQSQONBMALWKGD-LJQANCHMSA-N 326.417 4.320 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C1CCC1)C1CC1 587604632 XPSBYKLLLUJRGX-WIYYLYMNSA-N 336.387 4.303 0 1 EIAF Cc1cccnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774777 XRARTZCFTBMQMA-APPDUMDISA-N 349.247 4.089 0 1 EIAF C(=C/c1nc2cnncc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784615 SKOPZILLRCSYPX-DHZHZOJOSA-N 328.375 4.102 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2cccc3cncn23)cc1 962657248 ADEZTHCMVMQYAP-JOCHJYFZSA-N 325.415 4.236 0 1 EIAF CC(C)(C)N1C[C@@H]2C[C@H](C1)C21NCCc2cc(-c3ccccc3)ccc21 962667327 NQGFUPCQRGBODS-SVGJNIJCSA-N 346.518 4.445 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3nn(C)c(C)c3c2)N1 962950743 SPVOGURVNHZWAU-BTYIYWSLSA-N 344.462 4.377 0 1 EIAF COc1ccc2cc1Oc1cc(ccc1OC)CC[C@@H](N)CCCC2 1857575630 WWKLBMBLVMHRCW-KRWDZBQOSA-N 341.451 4.482 0 1 EIAF CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C(C)C)cc1 1857586805 WNAINARWJYOQEK-UHFFFAOYSA-N 327.472 4.087 0 1 EIAF COc1ccc2cc3cc(C(=O)N(C)C4CCCCC4)oc3nc2c1 429122 DOXSFGAAUDHZFZ-UHFFFAOYSA-N 338.407 4.394 0 3 EIAF Oc1ccc2cc([C@H](c3ccc(Cl)cc3)n3cncn3)oc2c1 13680650 GYGANQZOGPUYJF-KRWDZBQOSA-N 325.755 4.021 0 1 EIAF COc1ccc([C@@H]2c3cc4c(cc3C[C@H](C)[C@@H]2C)OCO4)cc1OC 14726821 KLVQONDOFFKFBN-OYMPBJRDSA-N 340.419 4.393 0 1 EIAF biogenic O=c1[nH]c2ccc(Cl)cc2cc1-c1csc(-c2ccncc2)n1 14974719 NYCKILAUMKSIPT-UHFFFAOYSA-N 339.807 4.367 0 1 EIAF O=C1C[C@H](O)C[C@H](CCc2ccc(Cl)c3cc(Cl)ccc23)O1 27871028 CFDKIOXRIIIRNK-OLZOCXBDSA-N 339.218 4.146 0 1 EIAF Cc1ccc(Nc2nc(Oc3ccc(C)cc3C)cn(C)c2=O)cc1 28108180 BQZQYHBGXNHMGU-UHFFFAOYSA-N 335.407 4.241 0 1 EIAF CCCCC[C@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 101046587 RIIFUZISBGVLON-QZTJIDSGSA-N 335.831 4.063 0 1 EIAF C[C@H]1c2[nH]c3ccc4ccccc4c3c2Cc2c(O)n(C)c(=S)n21 169729601 JMHMLIAFCYOQEG-JTQLQIEISA-N 335.432 4.410 0 1 EIAF Cc1cc(Br)cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902755 MJQSAYJPHYCVCB-DZGCQCFKSA-N 343.224 4.203 0 1 EIAF COc1cnc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1Cl 587064666 LQSLGBYATKNXJR-UHFFFAOYSA-N 343.692 4.186 0 1 EIAF CC1(C)C(=O)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207972 PFHAMSNBUFRHIJ-UHFFFAOYSA-N 327.383 4.239 0 1 EIAF CCOC(=O)CNc1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 587226392 ALWFMQTYSSJEQD-UHFFFAOYSA-N 343.814 4.167 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2c(F)cnc(Cl)c2[nH]1 587228642 FLRRBHZKTDRTIL-UHFFFAOYSA-N 348.809 4.112 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O 587445166 ZQBWETPHMBIRFT-PGRDOPGGSA-N 346.382 4.346 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C(C)C)n1)CC2=O 587476985 SLVFOSLDFPNCST-GOSISDBHSA-N 328.412 4.137 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(CCC)nc1C)CC2=O 587477948 WRIRTWSLFNJAOF-FQEVSTJZSA-N 342.439 4.140 0 1 EIAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)c1ccc2c(O)nc(O)nc2n1 587561588 RVAUDBKADFRAQO-IEZBTEQYSA-N 325.412 4.222 0 1 EIAF CCCc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)sc1C 587654546 UEVCKPFKPWSSGV-UHFFFAOYSA-N 346.839 4.061 0 1 EIAF COC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587812399 QORUCOIFYADCIB-BONVTDFDSA-N 342.252 4.123 0 1 EIAF COc1ccc(C[C@H](C)c2nc3ccc(F)c(F)c3[nH]2)cc1OC 587927335 SOXZTFXELDECSB-JTQLQIEISA-N 332.350 4.205 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4cncc(OC)c4[nH]3)ccc2c1 587935127 PMRRYURPQNUQKC-GFCCVEGCSA-N 333.391 4.280 0 1 EIAF Cc1cnc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 587951713 YNQCSUDMKGTSEK-UHFFFAOYSA-N 331.847 4.405 0 1 EIAF COc1ccc2c(c1)[C@H](c1ccc(OC)nc1Cl)N(C(C)C)CC2 962093973 UTRRDOCXEULOOO-SFHVURJKSA-N 346.858 4.108 0 1 EIAF COc1ccc2c(c1OC)[C@H](c1nccc3ccccc13)N(C)[C@@H](C)C2 962635572 LYIUQUMATDSLNQ-LHSJRXKWSA-N 348.446 4.218 0 1 EIAF Cc1c(O)ccc2c1C1(CCC3(CCCCC3)CC1)N[C@H](C(=O)O)C2 963524263 KQWQQPRYZHITQO-INIZCTEOSA-N 343.467 4.019 0 1 EIAF CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)c(Cl)c2)cc1 1772618478 HLVVEHQQCYVMBT-UHFFFAOYSA-N 345.826 4.266 0 1 EIAF COc1ccc([C@](C)(O)c2nc(-c3ccoc3)nc3ccccc23)cc1 1911571752 USLHJGWCQIJIGV-NRFANRHFSA-N 346.386 4.154 0 1 EIAF CC(C)=CCC[C@H](C)[C@@H]1C2=C(C(=O)OC2)[C@@H]2C[C@@H]2C[C@H](C)C[C@H]1O 2356375368 ARPBFHZIOKVIPZ-GYYKNPCSSA-N 332.484 4.265 0 1 EIAF CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2o1 3231574 DBWRELJFFXMODZ-UHFFFAOYSA-N 336.269 4.085 0 3 EIAF Cc1cc(F)cc(-c2cc(C(=O)NCc3cccc(Cl)c3)[nH]n2)c1 61925602 ICXIYOMBYDMNQM-UHFFFAOYSA-N 343.789 4.108 0 3 EIAF COc1ccc2c(c1)[C@@]1(C)CCN(CCc3ccccc3)[C@@H](C2)[C@@H]1C 1710876 DZXSIVYZBVEOTC-RTFZILSDSA-N 335.491 4.462 0 1 EIAF O=C(O)CC[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 5887658 JEMZPXUMGHBIRW-LJQANCHMSA-N 334.419 4.132 0 1 EIAF CO[C@@H]1Cc2ccccc2C2(CCN(C/C=C/c3ccccc3)CC2)O1 13472044 DEDXYKDBSVMVDB-FNNXTJRKSA-N 349.474 4.236 0 1 EIAF Cc1ccc(C)c(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)c1 13684683 AQJVDFLWJVOWJG-LJQANCHMSA-N 344.886 4.380 0 1 EIAF CCCCc1noc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)n1 13864687 XTIJBLJLFFUFEB-UHFFFAOYSA-N 329.444 4.245 0 1 EIAF CCN(CC)C[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc12 27549741 LAUYMVDAYJGGBO-LBPRGKRZSA-N 325.378 4.396 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1 33360147 CFSQPEBVGUSQII-UHFFFAOYSA-N 335.407 4.146 0 1 EIAF in-vivo CCCC[C@@]12CC[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821509 ADJOEVXWMGPLRU-ZWKOTPCHSA-N 335.831 4.063 0 1 EIAF Oc1ccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc1 72103462 DEKXHJHSMAXFNW-UHFFFAOYSA-N 348.324 4.356 0 1 EIAF C[C@@H]1CN(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)C[C@H]1C 105003573 CZDWKRSKCXMEKV-RMVXJAJNSA-N 341.495 4.258 0 1 EIAF C[C@@H](CCCN(C)C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 169344065 HGAPTSOENKTXDQ-KGLIPLIRSA-N 343.467 4.069 0 1 EIAF Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F 587003026 IZESYECHELLSLG-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Cc1cc(Cl)cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587041787 GETKHPJUFLMEGO-LBPRGKRZSA-N 337.876 4.145 0 1 EIAF FC(F)(F)Oc1cccc(CSCc2nc3cnccc3[nH]2)c1 587125025 ZVQHYKMCTXSNRR-UHFFFAOYSA-N 339.342 4.290 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cnc3[nH]2)c1 587160910 IEHXJMKNYQPVID-NEPJUHHUSA-N 332.176 4.131 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587243629 GWQDBRWAWQMLJN-UHFFFAOYSA-N 328.375 4.211 0 1 EIAF Nc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc2c1 587251761 MMTLCHSQWCOTOK-UHFFFAOYSA-N 343.365 4.290 0 1 EIAF Nc1c(-c2nc3ccnc(Br)c3[nH]2)ccc2ccccc12 587254914 YOMJXDDTUCAMTD-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc3ccc(Cl)cc13)O2 587380325 SRYXLNSQOHVEGG-SFHVURJKSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3[nH]c4ccc(C)cc4c3C1)O2 587395995 HZLWZNUIMSUYDL-JOCHJYFZSA-N 346.430 4.260 0 1 EIAF CCCc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452212 RGODDDFRPHNRPQ-KUHUBIRLSA-N 328.433 4.372 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(OC)c(F)c1)CC2=O 587466452 NWOVPKBBBXQGTC-QGZVFWFLSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1N(CC)CC)CC2=O 587469080 HQYNFZSFSNOPKU-PZJWPPBQSA-N 345.483 4.333 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1OC(C)C)CC2=O 587490567 YHBAJRQXTSMLAJ-SFHVURJKSA-N 341.407 4.233 0 1 EIAF O=C1C[C@H](c2[nH]c3nccc-3cc2F)Oc2c1ccc1c2CCCC1 587507274 VJXQZTGBFSKDOS-QGZVFWFLSA-N 336.366 4.239 0 1 EIAF O=C1C[C@@H](c2c[nH]c3ncc(F)cc23)Oc2c1ccc1c2CCCC1 587508464 PKRBKMNUCXQUKC-SFHVURJKSA-N 336.366 4.287 0 1 EIAF O=C1C[C@H](CCc2cncc(F)c2)Oc2c1ccc1c2CCCC1 587510762 WBDGPMYUZSIVQC-INIZCTEOSA-N 325.383 4.066 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(F)CC2)N1 587736611 BETHKYYVKKEVFC-IEBVAXJPSA-N 330.216 4.230 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2)N1 587855008 SVZSZUIPOQNUMJ-RTHLEPHNSA-N 326.234 4.273 0 1 EIAF COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)co2)cc1OC 621429864 CAMADBOOFXTLEW-UHFFFAOYSA-N 349.386 4.167 0 1 EIAF CCC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 653794456 WFNAQUOZYGCGDA-IRFCIJBXSA-N 330.468 4.289 0 1 EIAF O=C(c1ccc(-c2cccnc2)s1)c1cc(F)c(F)c(O)c1F 1857766175 HQZBZIAUNHPIAS-UHFFFAOYSA-N 335.306 4.164 0 1 EIAF CC(C)[C@]1(O)CC[C@]2(C)CC=CC[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21 2356530261 KQQUKTXLBQRNKT-JYAXBFRTSA-N 344.451 4.071 0 1 EIAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC(=O)N2 212183 ZVDYLMQNXIJBDT-OAQYLSRUSA-N 348.446 4.055 0 1 EIAF CCC(=O)N(c1ccccc1)[C@H]1CCN2CCc3ccccc3[C@@H]2C1 5497861 INISVGFBGYOYGS-FPOVZHCZSA-N 334.463 4.191 0 1 EIAF CC[C@@H](Sc1nc2ncccc2o1)C(=O)Nc1cccc(C)c1 6915542 FMRVFNOEDDGSNC-CQSZACIVSA-N 327.409 4.041 0 1 EIAF c1cc(NC2=NCCN2)ccc1Cc1ccc(OC2CCCCC2)cc1 26004336 NGBAPLWVAZILBK-UHFFFAOYSA-N 349.478 4.360 0 1 EIAF COc1ccc(-c2[nH]nc3c2C(=O)c2c-3ccc3ccccc23)cc1 27563627 RAOQPOXYGHGCEB-UHFFFAOYSA-N 326.355 4.450 0 1 EIAF CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)CCCC4)nc2c1 71316081 ITZYVLWACKUZSC-UHFFFAOYSA-N 341.432 4.167 0 1 EIAF c1ccc2c(c1)ccn2CCCCN1CCN(C2CCCCC2)CC1 72114563 QTVZKXTYXRRYBK-UHFFFAOYSA-N 339.527 4.372 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1F 73200453 FDXYBUHAAJRZLW-HXUWFJFHSA-N 334.350 4.218 0 1 EIAF c1ccc(CCNc2cc(Oc3cccc4ccccc34)ncn2)nc1 82067778 AXFCALLQFKYLKZ-UHFFFAOYSA-N 342.402 4.472 0 1 EIAF COc1cccc(CSc2nnc(-c3ccc(C)cc3O)o2)c1 84616644 BHRLIDKUADGDQC-UHFFFAOYSA-N 328.393 4.052 0 1 EIAF C[C@@H](C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 96270680 IBVAETNABFDYAY-INIZCTEOSA-N 326.484 4.009 0 1 EIAF Cc1ccc(OC(=O)[C@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(C)cc2)N3C)cc1 100728725 FGXZPRXFLNGHFB-JKLQHZFJSA-N 349.474 4.475 0 1 EIAF Nc1nc(-c2ccccc2Cl)cc(-c2cc3ccccc3oc2=O)n1 103207328 BJLAQNSCZUIVSK-UHFFFAOYSA-N 349.777 4.153 0 1 EIAF O=C(Nc1ccc(CC[C@@H]2CCCN2)cc1)c1ccc(Cl)cc1 117720387 UUSZBTNSQDCNAK-KRWDZBQOSA-N 328.843 4.277 0 1 EIAF CC(C)(C)C(=O)OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 253638546 SHHWJFWQYLCSAZ-ZGBGGJGPSA-N 345.508 4.204 0 1 EIAF CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]3[C@@]2(C)CC1 255253997 OJXGRUAWXGFZAO-JPRZGNOKSA-N 330.468 4.450 0 1 EIAF Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NC(C)C)cc1 299820395 BFARZRMRINHLBD-UHFFFAOYSA-N 347.422 4.488 0 1 EIAF Cc1oc2c(c1-c1nc3cc(Cl)c(Cl)nc3[nH]1)C(=O)CCC2 586904787 ZSOYQIUMKWPGIO-UHFFFAOYSA-N 336.178 4.352 0 1 EIAF O=C1CSc2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2N1 587044329 SGNZPPXHTRRPCL-UHFFFAOYSA-N 333.775 4.067 0 1 EIAF O=C1c2ccccc2-c2cc(C3=CC=CN4C=CN[C@@H]34)nc3cccc1c23 587107338 RCOBDLWEPZQEGA-HSZRJFAPSA-N 349.393 4.059 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587133479 XWXHBROPOXIZTI-UHFFFAOYSA-N 344.239 4.415 0 1 EIAF O=C1c2ccccc2-c2c(CC3CCOCC3)cnc3cccc1c23 587209087 IQBDZXNEOJMECN-UHFFFAOYSA-N 329.399 4.415 0 1 EIAF Cc1ccc(OCC(=O)O)c2c1[C@@H](C)c1c-2nc2cccc3c2c1CC3 587211848 LRUQWPMMOMSVMP-GFCCVEGCSA-N 345.398 4.237 0 1 EIAF O=C(/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccccc1 587245298 VIJUFPIZGCQOTL-CMDGGOBGSA-N 331.297 4.234 0 1 EIAF Cc1ccc(SC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411060 XLUPKSMXDDJQGX-LJQANCHMSA-N 327.449 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C(C)(C)C)[C@@H](C2)C3=O 587441194 FEIDOVVXQXPWEE-HTAPYJJXSA-N 336.431 4.470 0 1 EIAF O=C1C[C@@]2(CCN(c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587512532 DYIBGRWHFRKUAK-JOCHJYFZSA-N 333.431 4.180 0 1 EIAF CCc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623657 LGSASWRHTULTRO-UHFFFAOYSA-N 341.212 4.431 0 1 EIAF Cc1cncc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782235 JSNIYPFPXGEDBT-UHFFFAOYSA-N 331.375 4.218 0 1 EIAF COc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c1C 587788314 XKLQLZNGYUPHHX-UHFFFAOYSA-N 325.412 4.248 0 1 EIAF NC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955820 QGIBSQRBNOOVJM-GOSISDBHSA-N 341.414 4.036 0 1 EIAF C[C@H](O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653706360 ZZGJPNKWPLRCPK-AWEZNQCLSA-N 342.402 4.489 0 1 EIAF COc1ccc2sc(C(=O)N(C)CCc3ccccc3)cc2c1 1772571766 CPTXZMCNKJAKOU-UHFFFAOYSA-N 325.433 4.225 0 1 EIAF O=C(Nc1cc(Cl)cc(Cl)c1)c1cncnc1C(F)(F)F 13555184 HXJGBHNFBUWWFW-UHFFFAOYSA-N 336.100 4.055 0 1 EIAF Clc1ccc(Cc2n[nH]c(-c3ccc4c(c3)OCO4)n2)cc1Cl 13589636 SCRMVJPGGOUCSS-UHFFFAOYSA-N 348.189 4.098 0 1 EIAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccn1)c1ccccc1 13704393 PAWXVCKHKBXMJK-UHFFFAOYSA-N 340.386 4.187 0 1 EIAF CCCCC[C@@H](O)c1cccc(OCc2cccc(C(=O)OC)n2)c1 25987331 CUANJPSRKNDYPW-LJQANCHMSA-N 343.423 4.061 0 1 EIAF CN(C)[C@@H]1CCC[C@@H]1N(C(=O)C1CC1)c1ccc(Cl)c(Cl)c1 28234595 SQHRPYZOIIVCLJ-CVEARBPZSA-N 341.282 4.219 0 1 EIAF COc1ccc([C@@H]2CC[C@@H](OC/C=C/c3cccnc3)O2)cc1OC 29313636 CSFAXQWSXQRRAJ-MQBKADHPSA-N 341.407 4.006 0 1 EIAF O[C@]1(c2ccccc2)C2=NCC3(CCCCCC3)CN2c2ccccc21 34249467 FICJCEREFXQHKD-QHCPKHFHSA-N 346.474 4.495 0 1 EIAF CCN(CC)CCCCN1c2ccccc2O[C@H]2C=CC(Cl)=C[C@@H]21 40865338 AYSVOHVYHXXWHC-ICSRJNTNSA-N 346.902 4.437 0 1 EIAF Cc1ccc(CN(Cc2ccc(C)s2)c2cc(C(=O)O)[nH]n2)s1 43120293 VGJMNYQMRKLKFY-UHFFFAOYSA-N 347.465 4.055 0 1 EIAF CCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1 49067981 YFQXLSIRGZVJOZ-UHFFFAOYSA-N 341.451 4.123 0 1 EIAF O=C(Nc1ccccc1)N1OC[C@H]2CSc3ccc(F)cc3[C@@H]21 58583176 IAJYBRMEGBQDPD-MEDUHNTESA-N 330.384 4.068 0 1 EIAF Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1 63298547 OBZHLULOFFWAJX-UHFFFAOYSA-N 330.590 4.127 0 1 EIAF Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)c(C(C)C)cc1O 84704014 GTGSZOSUIVWADW-UHFFFAOYSA-N 346.427 4.090 0 1 EIAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2ccncc2)C1 96935107 DCFYEFKUQOMKBD-GFCCVEGCSA-N 336.222 4.410 0 1 EIAF Oc1cccc2c1OCC(c1nc3cc(OC(F)(F)F)ccc3[nH]1)=C2 586908273 MQRBKBQUEDVIJU-UHFFFAOYSA-N 348.280 4.100 0 1 EIAF O=S(=O)(/C=C/c1nc2cc3ccccc3cc2[nH]1)c1ccccc1 586924097 HCNAIFFYSCVVSB-ZHACJKMWSA-N 334.400 4.161 0 1 EIAF Oc1ccc2scc(-c3nc4c(Br)ccnc4[nH]3)c2c1 587032005 DYNNCDUQAOQEQC-UHFFFAOYSA-N 346.209 4.308 0 1 EIAF CCc1cc(OCc2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl 587052946 VDGYICQKEJIERA-UHFFFAOYSA-N 344.798 4.129 0 1 EIAF Cc1c(-c2nc3cc(Cl)ncc3[nH]2)cnn1-c1ccc(Cl)cc1 587076216 QLTALUKDPRWLQX-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF FC(F)(F)COc1cc(-c2nc3ccc4ncccc4c3[nH]2)ccn1 587091344 IXFNFVLROMUGMA-UHFFFAOYSA-N 344.296 4.114 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)ccc(C)c31)O2 587380229 RALWMYURXVARIH-IBGZPJMESA-N 343.810 4.182 0 1 EIAF CCCCC[C@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587391084 PBWVGDBZMRWFGI-HXUWFJFHSA-N 341.455 4.060 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cccc1Cl)CC2=O 587461692 SDYZAMHDBOUHFU-MRXNPFEDSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1[C@H]1CCOC1)CC2=O 587486713 MKGSUFUWTJILCT-XXHMAFKTSA-N 344.451 4.275 0 1 EIAF NC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502699 SNJKFIZBUKZLFL-FQEVSTJZSA-N 341.838 4.038 0 1 EIAF CCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576309 ILVVXJAYKMEDTL-NQIIRXRSSA-N 349.386 4.307 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587962066 HUTLVLNREYRMLA-JGVFFNPUSA-N 330.737 4.393 0 1 EIAF Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(F)cc2)s1 653834566 TZKZYZYVXLSYKL-UHFFFAOYSA-N 339.399 4.127 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(C)n(C(C)C)c1C 963065004 IAFJOFKUFVVGAW-JOCHJYFZSA-N 349.478 4.478 0 1 EIAF O=C(O)c1cc(-c2ccc(-c3ncccn3)cc2)nc2ccccc12 1250441295 BQMNHVYFFVCAHP-UHFFFAOYSA-N 327.343 4.057 0 1 EIAF NCCN(C(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 1772611870 VJTOQRSAXGNHKR-UHFFFAOYSA-N 343.641 4.252 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2=O 2356397605 GHBDGQQTWLVNLP-HOJAQTOUSA-N 330.424 4.251 0 1 EIAF CCCCC[C@H](O)C(=O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356630484 SQKPJSAFJDLBGU-AZUAARDMSA-N 346.467 4.373 0 1 EIAF CC(C)(C)[C@@H]1CCN2CCC[C@](c3ccccc3)(C1)[C@H]2OCCCO 254095623 FAXGGTWJRHCGMH-KCZVDYSFSA-N 345.527 4.201 0 3 EIAF COCCNc1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12 4239334 LHNAWLSHHUPHQG-UHFFFAOYSA-N 347.340 4.374 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26394148 YUEVEZWXYBGVTF-IKLPAXEJSA-N 345.527 4.301 0 1 EIAF Cc1cccc(C)c1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 28389109 HGKYDJUCZWLSDO-UHFFFAOYSA-N 345.381 4.147 0 1 EIAF CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1OC 28956617 GXWWBTLQYOAPKO-UHFFFAOYSA-N 347.798 4.168 0 1 EIAF O=C1[C@H]2[C@H]3CCC[C@@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 101012587 KZFJZNKZNIRSKS-LWWSYDQCSA-N 337.341 4.021 0 1 EIAF Cc1ccc(C(=O)Nc2c(C)nn(C(=O)c3ccc(C)cc3)c2C)cc1 103202416 HQQPIXHUTAXWTA-UHFFFAOYSA-N 347.418 4.058 0 1 EIAF CC1(C)C(=O)CC[C@H]2[C@]34CC[C@]5(C)C(=O)CC[C@@]5(C)[C@@H]3C=C[C@@]21OC4 255286075 YXDUTHSIFYOIQZ-FSTIMSIWSA-N 342.479 4.102 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 299820865 QNMBJXHTULXJII-SSEZJGRHSA-N 345.527 4.399 0 1 EIAF O=c1ccc2cc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)ccc2o1 586918709 RCMQBEBNDYTMJC-UHFFFAOYSA-N 332.693 4.268 0 1 EIAF COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1C 587074979 AINJUTOIVFPICA-KRWDZBQOSA-N 341.798 4.150 0 1 EIAF C[C@@H](F)[C@H](N)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587122797 GUNFIRDSRMMNAM-PSLIRLAXSA-N 326.400 4.197 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3C=CC[C@@H]32)[C@@H]1c1ccc(F)cc1 587353772 OWPIZFGWNDGDTL-ZDWFJGAWSA-N 336.362 4.225 0 1 EIAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587399808 MLNUJCRQFKSXIL-GOSISDBHSA-N 341.407 4.081 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1Cl)[C@@H](C2)C3=O 587424833 VZENWKXUIBTYFX-BBATYDOGSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@@H]3CCOC3)C1)CC2=O 587493204 TYOMXABJALUVNV-PZPWOCDFSA-N 344.451 4.275 0 1 EIAF O=C1C[C@H](c2cc(F)cnc2Cl)Oc2c1ccc1c2CCCC1 587509554 SOVRPWLPLPEWNQ-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF C[C@@H](O)Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529805 DSMWYSBDZRZOSP-SZNDQCEHSA-N 336.431 4.195 0 1 EIAF CCc1cc2c(O)nc(O)nc2nc1[C@H](CC)Sc1ccoc1C 587563333 RHGLCQKQBJOWIW-LBPRGKRZSA-N 345.424 4.143 0 1 EIAF CCCN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 1772589017 XIEJPSCORUYAMF-SXEONFLVSA-N 325.496 4.335 0 1 EIAF CCCc1ccc(-c2nnc(SCCCC(=O)O)o2)c(Cl)c1 1857534388 FYUHMAMRFJOYLY-UHFFFAOYSA-N 340.832 4.299 0 1 EIAF FC(F)(F)c1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1 1857577863 NDSFFXAONZMMHC-UHFFFAOYSA-N 340.308 4.477 0 1 EIAF COC[C@H](CC=Cc1ccc(O)cc1)[C@H](OC)c1ccc(O)cc1 2356681319 PYPQUQKGAGXEHZ-FXAWDEMLSA-N 328.408 4.151 0 1 EIAF C[C@H](NC(=O)CCc1nnc(C2CCCCC2)o1)c1ccc(F)cc1 12072561 OAQSFQZHOSVDSO-ZDUSSCGKSA-N 345.418 4.066 0 3 EIAF COc1ccccc1[C@@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61926153 FUJFSDUQTIAYBG-MRXNPFEDSA-N 348.324 4.186 0 3 EIAF O=C(NC[C@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1891374 IMTFDRVIARUEIF-FQEVSTJZSA-N 345.398 4.015 0 1 EIAF biogenic CCC/C=C/CC[C@H](O)CC[C@H](O)CCCCCCCC(=O)O 13335568 RQJUILPBCUMSNT-UKZKYTFVSA-N 328.493 4.440 0 1 EIAF biogenic,in-vitro CC[C@@H](C)Sc1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 13863478 QIUAPKYBHDKVCU-NXEZZACHSA-N 338.423 4.399 0 1 EIAF Oc1c(Cl)cc(Cn2c(C3CC3)nc3ncccc32)cc1Cl 26272061 ZKDHHVQDODRVIJ-UHFFFAOYSA-N 334.206 4.369 0 1 EIAF Cc1cc(CCCCCCCOc2ccc(C(=O)N(C)C)cc2)on1 27866657 VRSBCWOCRALHSD-UHFFFAOYSA-N 344.455 4.257 0 1 EIAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(CCc2ccccc2)C1 27875112 DNNMISCMTBYZKU-OAQYLSRUSA-N 336.479 4.137 0 1 EIAF COc1ccc2[nH]c(C[C@@H](CC(=O)O)c3ccc(Cl)cc3)nc2c1 72116805 QTMRMRURIQFHFC-LBPRGKRZSA-N 344.798 4.026 0 1 EIAF COc1ccc(N2C=C(c3ccccc3)[C@H]3C(Cl)=NC=N[C@H]32)cc1 98084643 GLTUZRFWHMGGER-HKUYNNGSSA-N 337.810 4.178 0 1 EIAF Fc1ccc(Nc2ccc3c(C4CCNCC4)c[nH]c3n2)cc1F 144965849 QRDLRCNFRXXGTE-UHFFFAOYSA-N 328.366 4.052 0 1 EIAF CCC(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205714685 NHOUYSJGRILLTC-INIZCTEOSA-N 334.341 4.281 0 1 EIAF c1ccc2c(c1)[nH]c1c(N3CCC(N4CCCCC4)CC3)nccc12 224143238 RSGIQGJUSWMZGB-UHFFFAOYSA-N 334.467 4.171 0 1 EIAF Cc1cc(N(C)Cc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 473153335 AMTSRWKTRQJCSG-UHFFFAOYSA-N 343.434 4.045 0 1 EIAF FC(F)(F)COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccn1 587091670 NAIHESCBCWCBNL-UHFFFAOYSA-N 327.693 4.219 0 1 EIAF COc1nccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587162579 GIWACAHJBZSDNV-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)cc(F)c2[nH]1 587175546 UJMYPSJJTHXGHF-CYBMUJFWSA-N 346.768 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(Cl)ccc3n1)O2 587378348 BKKRXQSJDQVOAX-GOSISDBHSA-N 338.794 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc4c(C)c(C)[nH]c14)[C@@H](C2)C3=O 587436800 BCRGIOWNKUQRFL-HRAATJIYSA-N 333.387 4.282 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccccc1OC)CC2=O 587483078 UPAPARBDYFEGJD-OAQYLSRUSA-N 340.419 4.320 0 1 EIAF C[C@]1(c2ccc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531918 NPJYCWQELDVOSG-LJQANCHMSA-N 342.416 4.206 0 1 EIAF O=C1C[C@H](c2coc3ccccc3c2=O)Oc2c1ccc1c2CCCC1 587532940 REODBWVPBCMSJB-HXUWFJFHSA-N 346.382 4.378 0 1 EIAF CCCC[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 587798225 YUALIKQBFVKVES-BZNIZROVSA-N 344.268 4.154 0 1 EIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(CCO)cc2[nH]1 587952141 YYUVBXRUAJNIMF-AWEZNQCLSA-N 332.403 4.391 0 1 EIAF FC(F)(F)c1ccc(Nc2cc3nc(C4CCC4)[nH]c3cn2)nc1 1857641920 VCVGUPYAJRIJGW-UHFFFAOYSA-N 333.317 4.383 0 1 EIAF Cc1ccc(C2=C(c3ccc(Br)cc3)C(=O)OC2)cc1 1857652377 MYJDILBEHQETMF-UHFFFAOYSA-N 329.193 4.225 0 1 EIAF CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)nc2ccccc12 421604 QKVPTJMGYXIZKW-ZDUSSCGKSA-N 338.432 4.341 0 3 EIAF Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl 29050287 PPEMPAPSRLGSIO-RDJZCZTQSA-N 338.234 4.102 0 1 EIAF c1cncc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c1 31829942 UNYHVNRWJOVJSI-KSEOMHKRSA-N 344.462 4.029 0 1 EIAF CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12 45496033 ZAVJQZGBRXFURY-UHFFFAOYSA-N 343.810 4.489 0 1 EIAF COc1cc(OC)c(Nc2nc(-c3ccccc3)no2)cc1Cl 71928057 SNYPVADNDLRXKJ-UHFFFAOYSA-N 331.759 4.151 0 1 EIAF CN(C)c1ccc(-c2cnc3cc(Br)ccc3n2)cc1 72109066 CJVKJJWOMGSTOK-UHFFFAOYSA-N 328.213 4.125 0 1 EIAF COc1cc(/C=C\C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O 95909844 PKAIECBWQZFYRP-AVBVSBRKSA-N 330.424 4.172 0 1 EIAF biogenic,in-vitro O=C(Nc1nccc2[nH]c(-c3c(Cl)cccc3Cl)nc12)C1CC1 118778296 OFPQQEBBZKPLFE-UHFFFAOYSA-N 347.205 4.280 0 1 EIAF CC(C)CCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 195268278 DXPXPTSTQIBWMJ-AZFOIECZSA-N 336.472 4.270 0 1 EIAF O=C1O[C@@H](c2ccncc2)CC(O)=C1Sc1ccccc1Cl 299828053 GRSASSVFGHPRSD-CYBMUJFWSA-N 333.796 4.285 0 1 EIAF O=c1ccc2cc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)ccc2o1 586919076 YYLLSKWLVJTPKE-UHFFFAOYSA-N 330.265 4.355 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2c(C)c(Br)cnc2[nH]1 587013190 YQVJBWSQFZWIKA-UHFFFAOYSA-N 349.257 4.338 0 1 EIAF Brc1ccnc2[nH]c([C@H]3Cc4ccccc4S3)nc12 587041162 AJUKQMYEDRFADK-LLVKDONJSA-N 332.226 4.110 0 1 EIAF Cc1ccnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587076971 OJTSQJSRIHAQBR-OAHLLOKOSA-N 326.831 4.257 0 1 EIAF O=C(O)c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1F 587086203 XEWOHMVZDHQDKJ-UHFFFAOYSA-N 341.729 4.269 0 1 EIAF Nc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C(F)(F)F)c1 587095469 FXLLAICYMKLETR-UHFFFAOYSA-N 346.234 4.245 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3)nc1C)O2 587393733 KVNBBSYQABLSJJ-IBGZPJMESA-N 345.402 4.049 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1N1CCCCCC1)O2 587400652 QYRLUTWPFHTDJK-PZJWPPBQSA-N 342.483 4.100 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C1CC1)[C@@H](C2)C3=O 587422538 QNJKZJUTVJRWEK-OXJNMPFZSA-N 340.806 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccncc1)[C@@H](C2)C3=O 587435966 KZDCINQIRPXOEJ-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccnc1-c1ccsc1)[C@@H](C2)C3=O 587450636 GWKYQLDFULOTJX-YWZLYKJASA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)cc1)CC2=O 587475590 AXXBICOMFMNBFA-NRFANRHFSA-N 340.419 4.320 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3ccc(C)cc3n1)CC2=O 587488041 GNTVUCPQHWCEKX-GOSISDBHSA-N 336.391 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C=O)s1)CC2=O 587494606 MPMNEECQYOFRMV-GOSISDBHSA-N 330.405 4.099 0 1 EIAF O=C1C[C@@H](c2cnc(-c3ccco3)nc2)Oc2c1ccc1c2CCCC1 587515479 OMOOCJMCBUCEJY-IBGZPJMESA-N 346.386 4.322 0 1 EIAF O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 587633059 PWMSHORLZMIWJF-UHFFFAOYSA-N 342.757 4.281 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]21CCc2nc(Cl)ccc21 963096841 DXRDZKSLTKDWPN-AUUYWEPGSA-N 328.818 4.084 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(C(=O)OC)cs1 963244353 WDNINBJGXJFEPH-UGSOOPFHSA-N 329.465 4.281 0 1 EIAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@H](N)C2 2356775727 QGIOCPSTZPMMEK-ASTLDXIKSA-N 343.511 4.416 0 1 EIAF COc1cccc(-c2cc3c(Nc4cccnc4)nccc3n2C)c1 74386974 SIRCRLIIHZBCMR-UHFFFAOYSA-N 330.391 4.388 0 3 EIAF Cc1ccccc1NC(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1 13684819 BQXQEVHKVFXHKB-GOSISDBHSA-N 345.874 4.463 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@H]12 14439722 YQGOQPXRMYAFGM-DZFGPLHGSA-N 342.435 4.223 0 1 EIAF biogenic CC(C)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](O)CC3 14825223 JNGUWPGWCNEMPR-YRFFXBIPSA-N 330.468 4.472 0 1 EIAF biogenic O=C(NC1CCCCC1)c1cc2c(-c3ccccc3)[nH]nc2s1 28565132 MLSDGZDBIVDXEE-UHFFFAOYSA-N 325.437 4.354 0 1 EIAF O=c1c2c(c3cccnc3n1-c1ccc(Cl)c(Cl)c1)OCCC2 28762066 UHABFRPZSFDMKW-UHFFFAOYSA-N 347.201 4.018 0 1 EIAF C[C@H](COC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(Br)cc1 29462674 HBJYCZVPNMNKRS-AJSFGMTHSA-N 338.289 4.194 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1cccc(F)c1 73199525 IOATWPHRTJUBPU-HXUWFJFHSA-N 334.350 4.218 0 1 EIAF Cc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 100085687 ISKQMAXCHQFYHK-MXVIHJGJSA-N 335.495 4.238 0 1 EIAF Cc1cccc2sc(-n3nc4c(c3O)-c3ccccc3CC4)nc12 101463421 ISWQZYKWVKRUPV-UHFFFAOYSA-N 333.416 4.262 0 1 EIAF CC(C)c1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103170358 JNVBGSNWVPPSSP-UHFFFAOYSA-N 347.890 4.424 0 1 EIAF COc1ccc(C2=CCCCc3c2ccc(OC)c3O)cc1OC 103291478 LQOJGBQBQSWLAC-UHFFFAOYSA-N 326.392 4.186 0 1 EIAF O=C(Nc1cc2ccc(-c3cccc4[nH]ncc34)cc2cn1)C1CC1 169699999 JKURHUYWRRJUSD-UHFFFAOYSA-N 328.375 4.127 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586886704 GOXPOSMEFSOUJJ-XPTSAGLGSA-N 336.222 4.410 0 1 EIAF Clc1cc(Cl)c(Br)c(-c2nc3cnncc3[nH]2)c1 586975617 OIJZQGUBNYNNFF-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF COc1cccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587023678 TWXRSCIDZLZITI-UHFFFAOYSA-N 346.412 4.042 0 1 EIAF COC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073314 BLELHZKWGPXADA-UHFFFAOYSA-N 340.810 4.473 0 1 EIAF Cc1ccc2c3c(cc(C[C@@H]4CCCO4)nc13)-c1ccccc1C2=O 587101241 LDBADVJEPXZMLZ-HNNXBMFYSA-N 329.399 4.476 0 1 EIAF FC(F)(F)c1cncc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587115353 KWMPDEAQJQFWGH-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF COc1nccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242906 YCRDTCLHPRKDLQ-UHFFFAOYSA-N 332.363 4.083 0 1 EIAF CCN1c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@H]1C 587396574 UJUFZVDAVRVOCO-XCLFUZPHSA-N 336.435 4.055 0 1 EIAF CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587513173 BASRODHGMHAAMH-OAQYLSRUSA-N 337.419 4.240 0 1 EIAF C[C@@]1(CCN2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514422 OCLKWAFSCPBTCC-OAQYLSRUSA-N 327.468 4.165 0 1 EIAF COc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521111 AONPRBMPWPERKI-JOCHJYFZSA-N 334.415 4.381 0 1 EIAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)s1 587637330 GTTJJYBKZLNPIM-UHFFFAOYSA-N 335.331 4.405 0 1 EIAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)ccc1Br 587651587 WRXVRMXBLYSRHK-UHFFFAOYSA-N 349.615 4.110 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccn2)N1 587773294 QEMABDVEKREKNX-PIGZYNQJSA-N 349.247 4.191 0 1 EIAF COC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587812885 SIGLPSMDBMDABL-BONVTDFDSA-N 342.252 4.123 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587831825 YLFOUIGOXSKGBI-BCTVWOGZSA-N 338.220 4.422 0 1 EIAF COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1C 587951089 RKBXLWSDOHFNCU-UHFFFAOYSA-N 326.440 4.365 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(F)c(O)c(OC)c1 963226174 GTIOGZFPPVHXQY-DJJJIMSYSA-N 329.415 4.286 0 1 EIAF CO[C@]12CC(C)=CCC[C@]3(C)[C@H]4CC[C@@](C)(O4)[C@@H]3CC1=C(C)C(=O)O2 2356555509 XSSYRWDNKNIHHM-SYGLAOGMSA-N 346.467 4.297 0 1 EIAF C[C@H]1[C@@H](N(C)CC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713546 WEKOCJSKNKSFAC-IWLVTHKOSA-N 346.559 4.458 0 3 EIAF O=C(CCCCCC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 13838489 VBHDFZGBKBFFDM-WEVVVXLNSA-N 329.440 4.392 0 1 EIAF biogenic,in-vitro CC[C@H](C)N(CC[C@](CC(C)C)(C(N)=O)c1ccccn1)[C@@H](C)CC 27522996 SEAQJMHMJNQGCV-BBTUJRGHSA-N 347.547 4.140 0 1 EIAF Cn1c(-c2ccc(Oc3ccccc3)cc2)nc2cc(C(=N)N)ccc21 29336179 TXPXOHWKNNSFMA-UHFFFAOYSA-N 342.402 4.317 0 1 EIAF Cc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3ccccc32)cc1 34412304 OFORMIHOOFIZNA-UHFFFAOYSA-N 336.435 4.436 0 1 EIAF C/C(=C/C(=O)O[C@@H](C)c1ccccc1)OP1(=O)O[C@H](C)[C@@H](C)O1 40951736 PAQDNXSEENNJQV-GWNBVZHTSA-N 340.312 4.143 0 1 EIAF CC[C@@H](CO)Nc1nccnc1-c1ccccc1Oc1ccccc1 45387939 FPFXAZCDIXTUDL-HNNXBMFYSA-N 335.407 4.119 0 1 EIAF CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 58582100 GQUGZFLBFPOQQC-UHFFFAOYSA-N 328.393 4.192 0 1 EIAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C(C)(C)C)nc2n1 73313852 NTDAVEUJPUHTMJ-UHFFFAOYSA-N 349.360 4.493 0 1 EIAF Fc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c(F)c1 96173948 GJKHIRMOZAIENN-UHFFFAOYSA-N 347.328 4.332 0 1 EIAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2ccccc12 169334809 UBTJBCNZKMTYEM-VGSWGCGISA-N 332.447 4.467 0 1 EIAF CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@@H]1[C@@H]2C 169357396 KPUIORAMYKZOGW-QPZGHMISSA-N 329.440 4.489 0 1 EIAF C[C@@H]1C(=O)S[C@](C)(Cc2cccc(Oc3ccccc3)c2)C1=O 169717826 NVAFOHJQQOQWCN-ORAYPTAESA-N 326.417 4.259 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@@]21C=C3C 238736527 OFNWUWHDGCNABD-LTABAFLCSA-N 346.511 4.489 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC(=O)C[C@@H]41)-c1ccccc1C2=O 587101179 ROXPOAZCPRXPKK-YVEFUNNKSA-N 339.394 4.373 0 1 EIAF FC1(c2nc3ccc(I)cc3[nH]2)CCCCC1 587131772 CJLQGYXZKBGKSH-UHFFFAOYSA-N 344.171 4.296 0 1 EIAF Fc1cc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc(F)c1F 587138786 PUNAQABBBUZRCN-UHFFFAOYSA-N 345.246 4.179 0 1 EIAF CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1 587146485 NJEFEIXDCUVGMI-VQHVLOKHSA-N 338.382 4.286 0 1 EIAF Cc1nc2cccc3c2c(c1Cc1ccc(O[C@H](C)C(=O)O)cc1)CC3 587212773 UWZHPEQXCSAKRN-CQSZACIVSA-N 347.414 4.085 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1c1ccc(F)cc1)O2 587386446 YSZPCGNFGZGHFT-OXJNMPFZSA-N 325.383 4.388 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)C)nc1C)CC2=O 587474360 COULPJHZNANXEH-GOSISDBHSA-N 328.412 4.137 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(CCC)c1C)CC2=O 587477057 TVIRDBYGWRQCQU-FQEVSTJZSA-N 342.439 4.140 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1OC)CC2=O 587478909 KYBDAWBVWYEUIY-IBGZPJMESA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cnn(CC)c1C)CC2=O 587478955 XDLBINUSRDYWGU-HXUWFJFHSA-N 342.439 4.140 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CSCc3ccccc31)CC2=O 587498146 FSKUQNQTUUNSGK-FQEVSTJZSA-N 340.444 4.452 0 1 EIAF C[C@@]1(c2ccc(O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503019 KHKIDZCPSLUTPQ-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617017 OBGHRWUNFNUQTI-FXAWDEMLSA-N 336.343 4.251 0 1 EIAF COc1ccc(-c2[nH]c3cc(F)ccc3c2CCC(=O)O)cc1F 587634342 GGCYDSBIRAHZSG-UHFFFAOYSA-N 331.318 4.139 0 1 EIAF CC[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772048 NDPQJRFNFMIZOV-APPDUMDISA-N 349.247 4.171 0 1 EIAF CSc1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1 587924909 MQLZAKLEISGLQR-UHFFFAOYSA-N 326.446 4.298 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587952192 MNSVMVGFQFJYEZ-YEWDVWPNSA-N 341.455 4.494 0 1 EIAF CC/C(C)=C(/N)C[C@]1(C)c2ccsc2CCN1Cc1cccn1C 962373399 LSXRCOVWVFYPLD-PHKMIBKXSA-N 343.540 4.393 0 1 EIAF C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C[C@H]3CN3)CC[C@@H]12 1857538803 MFWABCGQFDBVQU-BGBBRLAFSA-N 327.512 4.496 0 1 EIAF C[C@H](Nc1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)c1ccccc1 1857635544 YJXOISPYJORRTP-GJZGRUSLSA-N 335.451 4.193 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@H]1[C@]23C 2356383526 PFLSRYIOOFGEGE-ZJQOKSFYSA-N 330.424 4.126 0 1 EIAF CCCCC/C=C/C/C=C/C[C@H](O)[C@H](O)C/C=C/CCCC(=O)O 12495913 DCJBINATHQHPKO-FMOVSVGISA-N 338.488 4.382 0 1 EIAF CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26952370 WPMYIIBVFOXKEL-HKHBUPFLSA-N 347.543 4.381 0 1 EIAF Cc1cc(C)c2ccc(Cl)cc2c1CC[C@@H]1C[C@@H](O)CC(=O)O1 27869461 FUQMTWMTRYCUOK-HUUCEWRRSA-N 332.827 4.109 0 1 EIAF C[C@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CCCN(C)C 28770796 RYUKJZOXLVPYBF-INIZCTEOSA-N 349.478 4.130 0 1 EIAF C[C@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 29204551 UZQLDBWLAOCBOO-SODKBZIWSA-N 345.748 4.421 0 1 EIAF Clc1ccc(/C=C/CN2CCN(Cc3ccccc3)CC2)cc1 34467665 WOYDZSCCMZZLRT-QPJJXVBHSA-N 326.871 4.171 0 1 EIAF c1cc2c(cc1C[C@@H]1CCC(c3ccc4c(c3)CCC4)=NO1)OCO2 40914259 QCQIDOJZOMBARI-SFHVURJKSA-N 335.403 4.030 0 1 EIAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)C1CCCC1 64549141 YYAXCYSKIPJRTF-LJQANCHMSA-N 329.346 4.099 0 1 EIAF Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(Cl)n1 84730973 AUQPIEDXPKYHPW-UHFFFAOYSA-N 348.237 4.164 0 1 EIAF CC(C)(C)c1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052319 NWMVBAVWXLXRGZ-CQSZACIVSA-N 343.858 4.462 0 1 EIAF COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Cl 587091218 CHWDOKKWSLZQDJ-UHFFFAOYSA-N 345.708 4.375 0 1 EIAF Cc1cc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)ccc1F 587367915 AGRPNJWQZALBGN-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF COc1cccc([C@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399485 KXVGIYYWRCWJMO-NRFANRHFSA-N 339.435 4.493 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C=O)c1)(C1CCCC1)O2 587406831 VXWSUNABIIGLQF-JOCHJYFZSA-N 349.430 4.441 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(C)cc4)on1)[C@@H](C2)C3=O 587435092 BSOVOQBCSSWFNU-BTYIYWSLSA-N 347.370 4.147 0 1 EIAF COc1ccc([C@H](C)[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441858 JDXIBEQFCYZWJA-LKNMKHRSSA-N 338.403 4.014 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1N)CC2=O 587460322 LUFMHENOUVXOTB-INIZCTEOSA-N 331.799 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ncccc1C)CC2=O 587486775 LIEAYWKQIVSNKZ-FQEVSTJZSA-N 325.408 4.015 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C=O)N1 587818992 KHRFGSSVLRZONZ-BTDLBPIBSA-N 348.215 4.024 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587931794 SZWQXCJFQBZBPY-XTZNXHDOSA-N 332.325 4.434 0 1 EIAF CSc1nn2cc(-c3nc4ccc(OC(C)C)cc4o3)nc2s1 653764996 UICVKWOXKNTBEI-UHFFFAOYSA-N 346.437 4.108 0 1 EIAF COc1ccc(CN(C)Cc2ccc(C3=CCCN(C)C3)cc2)cc1 653799311 IYAIXAQJANAMCP-UHFFFAOYSA-N 336.479 4.046 0 1 EIAF Cc1c(F)ccc2c1[C@](C)(c1c(Cl)ccnc1Cl)NCC2 962093199 OUUKPZIRBBJNBR-MRXNPFEDSA-N 325.214 4.245 0 1 EIAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccc(F)cc1)C1CCCC1 963135055 WCLLRAAYUYMNEY-OAQYLSRUSA-N 339.410 4.103 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(C(C)(C)C)s1 963606544 IEGIAVSFVTVBLN-PIGZYNQJSA-N 346.496 4.081 0 1 EIAF CCOc1ccc2nc(N[C@@H]3OCCc4ccccc43)sc2c1 1857640720 QYVFGJGMXXNOQU-QGZVFWFLSA-N 326.421 4.378 0 1 EIAF CC(C)c1cc2c(cc1O)C(=O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356541757 YNDIFOCLBVZRHQ-YSIASYRMSA-N 330.424 4.251 0 1 EIAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@H]21 2356570006 VEZLMIBNVADFRK-HLIPFELVSA-N 332.440 4.263 0 1 EIAF COC(=O)C(C)=CCC[C@]1(C)[C@H]2C[C@@]3(CC=C2C)[C@@H](C(=O)O)CC[C@@H]31 2356588264 NJJHWXTWQAGIRM-WIRVCHQWSA-N 346.467 4.359 0 1 EIAF CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cccc(Cl)c1Cl 4020082 UKSJJGUEFDJHHY-XYPHTWIQSA-N 342.266 4.208 0 1 EIAF COc1ccccc1C[C@](C)(Oc1ccc(C(C)C)cc1)C(=O)O 13604817 YWFAOACTTUHGFX-FQEVSTJZSA-N 328.408 4.283 0 1 EIAF CCCN(CCC)[C@@H]1CCc2cccc(C(=O)NC(C)C)c2[C@@H]1C 13740182 DTWWPOHOAKPMBW-VQIMIIECSA-N 330.516 4.365 0 1 EIAF O=C(NCCCn1cnc(-c2ccccc2)c1)c1ccc(Cl)cc1 27564082 LZLDSFRYIHZLDD-UHFFFAOYSA-N 339.826 4.024 0 1 EIAF COc1c(O)cc2c3c(ccc(-c4ccccc4)c13)C(=O)O[C@H]2OC 32297199 RQXNUCSNDSIBJH-HXUWFJFHSA-N 336.343 4.036 0 1 EIAF biogenic O=c1cc(Cc2ccccc2)nc(SCCCc2ccccc2)[nH]1 49050057 QIGZUOLFUYYTJD-UHFFFAOYSA-N 336.460 4.086 0 1 EIAF C[C@H](c1ccccc1)N1CCC2(CC1)O[C@H](CCO)c1ccccc12 66258316 IXURNWHCTYEQAY-DYESRHJHSA-N 337.463 4.193 0 1 EIAF CN(C)c1cccc(Nc2nccc3[nH]c(-c4ccccc4)nc23)c1 82082401 ZRMRWAOKKVBJJA-UHFFFAOYSA-N 329.407 4.435 0 1 EIAF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccco2)oc1C 82165903 ILCCZXPBEWLEKQ-UHFFFAOYSA-N 338.411 4.245 0 1 EIAF O=C(O)CCC/C=C\C/C=C/C=C/[C@@H](O)C/C=C\CCCCCO 96023467 NUPDGIJXOAHJRW-JRDAUHHHSA-N 336.472 4.160 0 1 EIAF C[C@@H]1CCC(=O)N1c1ccc(C(=O)Nc2cccc3cccnc23)cc1 96909096 XVMSHPLDAJVXDO-CQSZACIVSA-N 345.402 4.002 0 1 EIAF CNc1ccccc1-c1cnc2[nH]nc(-c3ccc(OC)cc3)c2c1 169329625 OQTLPDDJWNSJCI-UHFFFAOYSA-N 330.391 4.342 0 1 EIAF Cc1cccc(-c2ccccc2)c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586879532 SVJRWVCIKUWFBX-UHFFFAOYSA-N 335.798 4.013 0 1 EIAF FC1(F)Oc2cc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 586884232 OYGGONNTOGKZIA-BHGXRVDKSA-N 332.350 4.352 0 1 EIAF Cc1oncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990073 UWAZZIVDPPFODB-UHFFFAOYSA-N 328.327 4.115 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC(=O)C(C)(C)C4)-c1ccccc1C2=O 587099954 BADYWBJZERCKFV-UHFFFAOYSA-N 341.410 4.449 0 1 EIAF Cc1ccc(CCc2nc3ccc(F)c(Br)c3[nH]2)cc1N 587250088 GQYMBDKAXJRWQN-UHFFFAOYSA-N 348.219 4.140 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(N)sc(C)c1C)(C1CC1)O2 587410725 OPHJCBMDUJMNCE-IBGZPJMESA-N 342.464 4.108 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)([C@@]1(C)CCC(C)=C(C)O1)[C@@H](C2)C3=O 587457151 ZUBFCODFLHENPM-CWFSZBLJSA-N 328.408 4.064 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C(C)(C)C)c1)CC2=O 587475358 MUDZRDZMQOPFJC-KRWDZBQOSA-N 328.412 4.003 0 1 EIAF Cc1ccn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 587516563 YEGNAVUXALYBHR-IBGZPJMESA-N 332.403 4.228 0 1 EIAF CCOC(=O)C[C@]1(CC2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520671 AQIGWCKGLHTSRT-NRFANRHFSA-N 342.435 4.023 0 1 EIAF C[C@]1(c2cccc3[nH]ncc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528189 XVTJOQSJDDKNRD-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)NCc1ccc(F)cc1 587630878 RUJKJHDPGBBGOY-UHFFFAOYSA-N 334.753 4.338 0 1 EIAF CC[C@]1(CSC)N[C@H](C)Cc2cc(Br)c(F)cc21 587848527 XBBOSAAMIYDOAD-YMTOWFKASA-N 332.282 4.091 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCSC2)N1 587858291 PVDKMCCRZZBTBH-FTGAXOIBSA-N 344.293 4.307 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)ncn1 587860614 ZGHOVNHXBPTMRZ-UHFFFAOYSA-N 349.221 4.343 0 1 EIAF CC(C)=CCC/C(C)=C\c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587967923 NUGKUDWEAPJFRF-VKAVYKQESA-N 338.499 4.464 0 1 EIAF C[C@@]1(c2ccc(C(=O)O)cc2)NCCc2cccc(-c3ccccc3)c21 962666182 LGCSHEXRJGZEOQ-QHCPKHFHSA-N 343.426 4.461 0 1 EIAF CC1(C)C=Cc2cc3c(=O)c(O)c(-c4ccc(O)cc4)oc3cc2O1 2356407756 JZRVNHPJGDFEMF-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF CCC=CCC=CC[C@H](O)[C@@H](C=C[C@H]1CC=CCCCC(=O)O1)OC 2356466743 QXHLHGKKWDCOOY-HSALFYBXSA-N 348.483 4.263 0 1 EIAF Cc1cc2c(c(C)c1Cl)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 13813946 CFARKPDEDZVNMM-LBPRGKRZSA-N 330.767 4.127 0 3 EIAF aggregator C(CCCCCCC1=NCCCN1)CCCCCC1=NCCCN1 28865470 HBCCNHZNPABCIE-UHFFFAOYSA-N 334.552 4.451 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 34801187 QNMBJXHTULXJII-JGAQBGERSA-N 345.527 4.399 0 1 EIAF CNC1=Nc2nc(C)ccc2C(c2ccccc2)=N[C@H]1c1cccs1 40402734 OKVLPQWGPVCBRB-SFHVURJKSA-N 346.459 4.293 0 1 EIAF O=C(O)CCCN1CCCC(=C(c2ccccc2)c2ccccc2)C1 45187667 DRCAHOZCWALOKP-UHFFFAOYSA-N 335.447 4.449 0 1 EIAF Oc1nc(CN2CCCCC2)nc2c1sc1ccc(Cl)cc12 45261883 DJOXKKRRSXGVNT-UHFFFAOYSA-N 333.844 4.189 0 1 EIAF O=C(Nc1ccccc1)N1OC[C@@H]2CSc3ccc(F)cc3[C@H]21 62225387 IAJYBRMEGBQDPD-BZNIZROVSA-N 330.384 4.068 0 1 EIAF COc1cccc(-c2cc3c(Nc4ccncc4)nccc3n2C)c1 74386911 MAYNIAFNMXXVLQ-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF CCC[C@@H](O)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084141 WUNNJRANMRVXBI-SNVBAGLBSA-N 333.335 4.014 0 1 EIAF CN(C)c1cc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)ccc1F 96934955 OJHQPHGVFSSVRG-ZZXKWVIFSA-N 341.338 4.108 0 1 EIAF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C/c3cccc(F)c3)[C@@H]2CC1 96939259 TXWCHLMWFNMTKW-OZOCIEKXSA-N 342.410 4.022 0 1 EIAF CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCS4)CC1 100993979 LGWIMMOJBXEMBA-YGUOUDRMSA-N 327.449 4.271 0 1 EIAF C[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 102141343 WITAKKXFGJUOGA-DRZSPHRISA-N 342.266 4.265 0 1 EIAF CN(C)[C@H]1[C@H]2CC[C@@H](C[C@@H]2OC(=O)c2ccccc2)[C@@H]1c1ccccc1 169373207 RNZUABSIOANGLF-YFNVTMOMSA-N 349.474 4.356 0 1 EIAF c1cc(C2CC2)nc(-c2c[nH]c3ccc(-c4nnc(C5CC5)o4)cc23)n1 204757782 NMOAVWCJECIOPM-UHFFFAOYSA-N 343.390 4.430 0 1 EIAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(C)cnc(Cl)c2[nH]1 587027993 LCVZIKDTJURXIL-UHFFFAOYSA-N 329.816 4.347 0 1 EIAF Cc1nc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2cc1Br 587161619 OYSNNUDQIJWGLN-VXGBXAGGSA-N 346.203 4.439 0 1 EIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587372782 AOZDRRUGNKDRIB-GOSISDBHSA-N 331.799 4.120 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(C)(C)c1ccc(F)cc1)O2 587385073 RBYUEUFTXBGDNE-HXUWFJFHSA-N 327.399 4.418 0 1 EIAF Cc1ccc(SC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411058 XLUPKSMXDDJQGX-IBGZPJMESA-N 327.449 4.402 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)Sc3sccc31)O2 587415990 ZVMJCHCCHZGQON-BTDLBPIBSA-N 331.462 4.384 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)cccc1OC)[C@@H](C2)C3=O 587423685 VJTQTRBROALTKR-HXPMCKFVSA-N 344.794 4.020 0 1 EIAF CCOc1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587442536 QDGAQUWSUSHEHE-IIBYNOLFSA-N 338.403 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3o1)CC2=O 587485235 QUPGXOFIJLWSHK-HXUWFJFHSA-N 337.375 4.367 0 1 EIAF COc1ccnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502274 UQJJICMJGZAOQF-INIZCTEOSA-N 343.810 4.329 0 1 EIAF CCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587529356 AHPNWBKSRATFSA-SFHVURJKSA-N 340.375 4.042 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)c(F)c(F)c1 587871316 SURCCFGBCXDYCO-UHFFFAOYSA-N 336.288 4.494 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 587930889 HPTGHLJOUZQMQE-UHFFFAOYSA-N 343.386 4.004 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587962068 HUTLVLNREYRMLA-SFYZADRCSA-N 330.737 4.393 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c3ccccc3nn2C)N1 962938960 AUYAXFJBTAFXAX-ZUOKHONESA-N 330.435 4.068 0 1 EIAF CCCn1ncc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1C 963098724 JAWHXGHAISFKBP-YLJYHZDGSA-N 327.447 4.025 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC)CC(=O)C(F)(F)F 963230889 BIBXEKJJBANYDS-GUYCJALGSA-N 327.390 4.470 0 1 EIAF CC(C)(C)[C@]1(c2cc(F)c(F)c(F)c2)NCCc2ccc(O)cc21 963327878 AZAPSDGHPFYEQB-LJQANCHMSA-N 335.369 4.245 0 1 EIAF O=C1Oc2ccc(F)cc2[C@H]2Nc3cccnc3[C@@H](c3ccccc3)[C@H]12 1857552350 JNZOFGTWZUKFNK-GBESFXJTSA-N 346.361 4.055 0 1 EIAF C[C@@H](Cn1nc(-c2ccc(F)cc2)c2c(N)ncnc21)c1ccccc1 1857596444 FAJYZGUCNKNDSD-ZDUSSCGKSA-N 347.397 4.018 0 1 EIAF CCOC(=O)C=C1c2ccccc2CCc2c1c1ccccc1n2C 2356315993 UFUONUSAJQAGHY-UHFFFAOYSA-N 331.415 4.272 0 1 EIAF CC[C@@H](C)[C@H](CO)NC(=O)CCCc1cn(C(C)C)c2ccccc12 2356457090 CERKVALIJLRKOE-APWZRJJASA-N 344.499 4.068 0 1 EIAF COC(=O)C1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCc1ccoc1 2356722697 NVMUULOVKGJDTI-BMQTXXJKSA-N 346.467 4.135 0 1 EIAF COc1cccc([C@@H](CC2=CCCCC2)NC(=O)C(F)(F)F)c1 38142323 FLQOESCOOOPHJC-OAHLLOKOSA-N 327.346 4.305 0 3 EIAF N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61906059 VDIZXFMRFIEYRG-HNNXBMFYSA-N 338.329 4.415 0 3 EIAF CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 61927835 JOXNPNOENUFQTL-NRFANRHFSA-N 340.467 4.075 0 3 EIAF COc1ccc(-c2c(-c3ccsc3)oc3c2[C@H](O)CCC3)cn1 95564823 GFTMPCPMIXXKGC-CYBMUJFWSA-N 327.405 4.448 0 3 EIAF CC[C@H](C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 13582582 YRGZDNHXSLVEOX-AWEZNQCLSA-N 344.422 4.443 0 1 EIAF COc1cc(NC(=O)c2cc3ccccc3n2C)ccc1-c1cnco1 13818671 XSTWWIWQCLWSIH-UHFFFAOYSA-N 347.374 4.094 0 1 EIAF CN(C)CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 28653918 PSHJHMPZCYKSJB-BNOPAZPUSA-N 342.870 4.162 0 1 EIAF Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(C)(C)C)s1 34512464 UJSDBUKEGCNPRS-ZHZULCJRSA-N 342.386 4.339 0 1 EIAF COc1ccc(Br)c2c1CC[C@@H]1[C@@H](c3ccncc3)[C@H]21 36289329 SLXPOBZDYHEQIS-SRCQZFHVSA-N 330.225 4.296 0 1 EIAF COc1ccc(-c2nnc(CCC(=O)c3ccc(C)cc3C)o2)cc1 42989946 UHAGTZXNAUFWMZ-UHFFFAOYSA-N 336.391 4.178 0 1 EIAF COc1ccc(Br)c2c1CC[C@H]1[C@H]2[C@@H]1c1ccncc1 100025653 SLXPOBZDYHEQIS-VMGRFDJRSA-N 330.225 4.296 0 1 EIAF O=C(NCc1ccccc1F)c1nc2c(-c3ccccc3)cccc2[nH]1 103268341 ADRLYNCWOAOXPX-UHFFFAOYSA-N 345.377 4.299 0 1 EIAF Clc1ccc(Nc2nc3c(N4CCCCC4)ncnc3s2)cc1 103287385 LRXPBLSCEQOYMN-UHFFFAOYSA-N 345.859 4.474 0 1 EIAF c1ccc(OC[C@@H]2[C@H]3CN(Cc4nc5ccccc5s4)C[C@H]32)cc1 261180968 WBVLWNTYBPPISB-FVQHAEBGSA-N 336.460 4.053 0 1 EIAF CC(C)C(=O)Nc1ccc(SC[C@H]2CCCN3CCCC[C@@H]23)nc1 504314490 SZPCATKYZXNXET-WBVHZDCISA-N 347.528 4.033 0 1 EIAF biogenic Fc1ccc2c(c1)C[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)O2 587174729 RSVGKJPYLAKJPC-CQSZACIVSA-N 338.260 4.277 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCCSC2)[C@H]1c1ccc(F)cc1 587370363 APYHCJHKYLTVLJ-HKUYNNGSSA-N 344.407 4.156 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3cccnc13)O2 587379884 LYZNUIDVGHRZAA-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1CCCC4)[C@@H](C2)C3=O 587445260 JDNFFDDMHKAWQK-AVRDEDQJSA-N 334.415 4.237 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(O)c4ccsc4c1)[C@@H](C2)C3=O 587454523 YARDDDPVDWXJHV-DJJJIMSYSA-N 338.384 4.104 0 1 EIAF O=C1C[C@@H](c2cc(F)c(F)cc2O)Oc2c1ccc1c2CCCC1 587504345 IMIOINIGLFQACE-SFHVURJKSA-N 330.330 4.256 0 1 EIAF Oc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587781936 GDROFSDNVNOVDW-UHFFFAOYSA-N 332.359 4.220 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587789430 DDHIHPKMCGVGBC-FVMDXXJSSA-N 337.236 4.102 0 1 EIAF COCC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790274 FGSXCGOGNGHRCT-ZBEGNZNMSA-N 344.268 4.010 0 1 EIAF CC(C)[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814778 IXGJJQUTXZEZON-QFYYESIMSA-N 326.253 4.384 0 1 EIAF CC/C(C)=C(\N)C[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962373403 LSXRCOVWVFYPLD-PUWPPSGDSA-N 343.540 4.393 0 1 EIAF Cc1cccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)n1 962693429 BPLODOLYWAUKPD-YWZLYKJASA-N 342.483 4.156 0 1 EIAF Cc1sc2c(c1C)CCN[C@]2(c1ccncc1)c1ccc(F)cc1 963026962 PRWCLINRJWQCAC-FQEVSTJZSA-N 338.451 4.337 0 1 EIAF FC(F)(F)c1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1 1857650459 JBTAUOIWQPNDDO-UHFFFAOYSA-N 338.373 4.055 0 1 EIAF Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1CC(=O)O 1857766686 APXVOHZSASUXKJ-UHFFFAOYSA-N 325.408 4.172 0 1 EIAF CCC[C@]1(CC(=O)O)OCC[C@@H]2c3c(CC)ccc(Cl)c3N[C@@H]21 1911578160 VKTVUCGOLRTKFR-OCBCSQNSSA-N 337.847 4.214 0 1 EIAF COc1cc2oc(=O)cc(CN3CCCCCCC3)c2cc1Cl 72138210 VZTLMDQSSVKMII-UHFFFAOYSA-N 335.831 4.221 0 3 EIAF CCN(CC)c1cc(C)c2cc(NC(=O)c3cccnc3)ccc2n1 213103 BNBRVPSSIGJGLV-UHFFFAOYSA-N 334.423 4.037 0 1 EIAF Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(-c2cccc(Cl)c2)no1 9721943 WPMFIYWHQGEADQ-VIFPVBQESA-N 344.802 4.077 0 1 EIAF COc1cc2c(c(O)c1Cc1ccc(O)cc1)-c1c(O)cccc1CC2 13480522 WZPDRMHOGQFMFP-UHFFFAOYSA-N 348.398 4.168 0 1 EIAF biogenic,in-vitro CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1NCC(F)(F)F 14968369 AHDSMLCEPLKIHZ-UHFFFAOYSA-N 338.251 4.084 0 1 EIAF CC[C@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2C1=O 28230660 KRBNSDATJGIUCB-NRFANRHFSA-N 338.403 4.266 0 1 EIAF O=S(=O)(Nc1cc(Cl)cc2cc[nH]c12)c1ccc(Cl)cc1 28233725 MXNXPXMOHAFGTP-UHFFFAOYSA-N 341.219 4.276 0 1 EIAF O=C(Nc1ccc2c(c1)CCNCC2)Nc1ccc2ccccc2c1 45194485 AMYDJADUSLLDIR-UHFFFAOYSA-N 331.419 4.172 0 1 EIAF Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1 66258988 JPKICDKOQYDTDG-UHFFFAOYSA-N 339.416 4.168 0 1 EIAF COc1cccc(-c2nn(Cc3nnc(C4CC4)o3)c3ccccc23)c1 95755513 XGIZXGWVSLSYHD-UHFFFAOYSA-N 346.390 4.021 0 1 EIAF CC[C@H](Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251316 JLMKYNGLORSHHP-LJQANCHMSA-N 345.508 4.220 0 1 EIAF CCCN1CCN(CCC)[C@@H]2c3c(C)c4ccccc4n3CC[C@@H]21 169317433 RFFFXCJAXQLALO-FPOVZHCZSA-N 325.500 4.201 0 1 EIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169322260 YFWPHJWDVIVLDC-SKQVIJGQSA-N 343.511 4.175 0 1 EIAF CCN(C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C 208988996 UGOYQGZFKZQDAH-UHFFFAOYSA-N 340.854 4.395 0 1 EIAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@H]3C[C@]21C=C3C 257501576 OFNWUWHDGCNABD-OTHWRCMBSA-N 346.511 4.489 0 1 EIAF endogenous,in-man CCOc1ccc(OCCCCCC(=O)N2CCCC[C@@H]2C)cc1 473145198 NQGBENGPUMGTAE-KRWDZBQOSA-N 333.472 4.426 0 1 EIAF CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)no1 473155195 QBMTWKSUOQITJN-UHFFFAOYSA-N 345.487 4.156 0 1 EIAF O=c1ccc2cc(-c3nc4c(C(F)(F)F)cccc4[nH]3)ccc2o1 586916686 TUWYXCCQXCXDDX-UHFFFAOYSA-N 330.265 4.355 0 1 EIAF Nc1c(-c2nc3cccnc3[nH]2)sc2cc(Br)ccc12 587030938 KCEHLOGENNUOQI-UHFFFAOYSA-N 345.225 4.184 0 1 EIAF Fc1cc(Br)c(Cl)cc1-c1nc2cnccc2[nH]1 587138165 YLPNXFRCIDTEKL-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF COc1cc(C)c(N)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587249622 PJGDMFFKTQYHJC-UHFFFAOYSA-N 337.301 4.028 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)c(Br)c1)O2 587376185 IDPMWGYQPSMPQC-INIZCTEOSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)cnc1Cl)O2 587380548 WEDJNQCZNFCDSI-MRXNPFEDSA-N 337.206 4.160 0 1 EIAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391973 VFZBVWVMCAVGAL-HXUWFJFHSA-N 332.403 4.383 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(C)cc1F)[C@@H](C2)C3=O 587425005 ZXUYNHBXHAHBGD-DJJJIMSYSA-N 346.785 4.459 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccco1)[C@@H](C2)C3=O 587456981 YSELGLIQMYQFTR-JTSKRJEESA-N 346.382 4.288 0 1 EIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)n1 587499863 NJOYPVBAOQEHQC-MRXNPFEDSA-N 343.810 4.329 0 1 EIAF O=C1C[C@@H](c2cc(Cl)cnc2F)Oc2c1ccc1c2CCCC1 587506365 JXXGSOFBQLNRQR-INIZCTEOSA-N 331.774 4.459 0 1 EIAF Cc1c[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590189 RTSFREVDGCTRJM-RXVVDRJESA-N 349.386 4.214 0 1 EIAF CCO/C=C(\C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794262 GMNIDYPEOPFWRZ-AZZDBCTDSA-N 328.225 4.104 0 1 EIAF COC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797837 XROIHVMWQNTWMR-MGPLVRAMSA-N 344.268 4.153 0 1 EIAF C=C(c1ccccn1)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862329 KGOMIXCBPQVGMD-UHFFFAOYSA-N 345.324 4.492 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587934743 FQEPXIOQOYMGCI-RBZFPXEDSA-N 347.418 4.265 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccnc1Cl 962372794 JSLCKBJAKNYIMG-QGZVFWFLSA-N 343.883 4.283 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccnc(Br)c1 963118850 ZXEVDASPEGNBKS-PBHICJAKSA-N 347.231 4.093 0 1 EIAF Nc1ccccc1Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857605925 VSLBKBMDXKKRFD-UHFFFAOYSA-N 345.358 4.484 0 1 EIAF C[C@@H]1C[C@H](Cc2ccccc2)[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31C2(C)C 2356365675 PYLONMJJKDMLCG-GUPFNTAVSA-N 340.463 4.063 0 1 EIAF CC[C@H](C)[C@@H](CO)NC(=O)CCCc1cn(C(C)C)c2ccccc12 2356457091 CERKVALIJLRKOE-QFBILLFUSA-N 344.499 4.068 0 1 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)C3=C(C=C(O)C(=CC(=O)O)CC3)CC[C@H]12 2356511227 CISIZTZWNFTWTO-VDGAXYAQSA-N 346.423 4.221 0 1 EIAF O=c1[nH]c2[nH]c(-c3ccc(Br)cc3)cc2c2ccccc12 1647599 CONSGDZGSJEQOT-UHFFFAOYSA-N 339.192 4.439 0 1 EIAF CN(CCC1CCN(CC2CCCCC2)CC1)C(=O)c1ccccc1 4617737 CWXUIVIUCOBFEM-UHFFFAOYSA-N 342.527 4.441 0 1 EIAF Clc1ccc([C@@H]([C@@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 26250212 ZSINOYZZEZDTLK-IRXDYDNUSA-N 346.217 4.178 0 1 EIAF COc1ccc([C@H]2CC[C@H](c3ccc(OC)c(OC)c3)O2)cc1OC 29563008 QJCGZUKQWHTSOT-HZPDHXFCSA-N 344.407 4.314 0 1 EIAF Brc1ccccc1/C=C\C1(c2ccccc2)OCCO1 31900435 FJZFNDZAOAMIOQ-KHPPLWFESA-N 331.209 4.362 0 1 EIAF COc1ccc2nc(C)c3c(C)nc(-c4ccccc4Cl)n3c2n1 73169854 IYYROKXNJZBPGJ-UHFFFAOYSA-N 338.798 4.223 0 1 EIAF c1ccc2c(c1)[C@@H]1CC(c3cc[nH]c3)(c3cc[nH]c3)[C@@H]2c2cccc[n+]21 100728984 FTHMSNDPXJXXQI-VXKWHMMOSA-N 338.434 4.055 0 1 EIAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@]21CCC(=O)O1 101248013 WJTQAIIEUXLAEB-OAGDOXAWSA-N 326.436 4.324 0 1 EIAF COc1ccc(-c2c(-c3ccccc3)nc3ccccn3c2=O)cc1 103238361 WDUMXBQZDMIYOV-UHFFFAOYSA-N 328.371 4.037 0 1 EIAF CCCSc1nc([C@H](C)c2c(F)cccc2F)c(CC)c(=O)[nH]1 169352244 XMJZMRGXLFVMDL-SNVBAGLBSA-N 338.423 4.264 0 1 EIAF COc1cc(OC)c2c(C)c(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 204999955 LQXQHTYOVGJHID-UHFFFAOYSA-N 343.810 4.098 0 1 EIAF COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 217054562 ZNBZVAGNLWMGJD-UHFFFAOYSA-N 331.375 4.350 0 1 EIAF COc1ccc2c(c1)oc(=O)c1c(C)nn(-c3ccc(Cl)cc3)c12 299825927 LZWRDVDDMZXZJH-UHFFFAOYSA-N 340.766 4.102 0 1 EIAF CC(C)(C)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586924080 GPKXQYHAMBYWDB-OUKQBFOZSA-N 340.448 4.305 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587044239 YAEKZIRPMACKEK-CQSZACIVSA-N 345.512 4.481 0 1 EIAF Cc1ccc2c3c(c4c(nc13)-c1cncn1CC4)-c1ccccc1C2=O 587096350 HTWPJTABLJHYFW-UHFFFAOYSA-N 337.382 4.174 0 1 EIAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1C 587126102 VFWCETUFQGUZLS-HZMBPMFUSA-N 349.360 4.351 0 1 EIAF COc1cncc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587157742 FQKZXZAMIDXHBM-UHFFFAOYSA-N 347.349 4.252 0 1 EIAF c1ccc(CN2C[C@H]3c4nc5cccc6c5c(c4CC[C@H]3C2)CC6)cc1 587211835 IQXSYOCMFQWNGZ-GHTZIAJQSA-N 340.470 4.495 0 1 EIAF N=c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc2[nH]1 587253224 DFDJFBTZQWMGFM-UHFFFAOYSA-N 346.287 4.349 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Cl)cc4)cc3)nc2n1 587369104 UUHGPRYKYWHQKB-UHFFFAOYSA-N 349.777 4.423 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)[nH]c3cccc(Cl)c13)O2 587380979 ZCPLLWZELQFRJP-CQSZACIVSA-N 342.782 4.124 0 1 EIAF COc1cc(Cl)cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587420149 ORCOOVDWFUXJFF-BEFAXECRSA-N 344.794 4.020 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O 587423456 JWKDCHWBTAKDCR-KPZWWZAWSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1OC)CC2=O 587465474 DHFAZLPRMHWRNO-SFHVURJKSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)cc1C)CC2=O 587489609 OKIBTYOIIXIKQZ-HXUWFJFHSA-N 326.392 4.239 0 1 EIAF CC(C)(C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526537 XZYJFGXOBNZMAK-HXUWFJFHSA-N 330.424 4.021 0 1 EIAF CC[C@@]1(/C(C)=C/OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593794 MYBDWHBHZPHSJN-VSADUAAZSA-N 340.375 4.053 0 1 EIAF Cc1cncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587772662 FPRGXJWFKXPZCC-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CC1=CC2(C=C(C)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587831122 GRWSVUMHBZIFNL-VIFPVBQESA-N 338.220 4.156 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1ccccc1)C(=O)O 963232072 CJFLIZGGUWBTRE-VGOFRKELSA-N 337.463 4.256 0 1 EIAF Oc1ccc(-c2ccccc2)cc1C(O)(C(F)(F)F)C(F)(F)F 1772577657 OTGXBGJFEDVGNI-UHFFFAOYSA-N 336.231 4.371 0 1 EIAF O=C(O)C[C@H](c1cc(F)cc(-c2ccccc2F)c1)c1ncco1 1772612337 GTEPRRNRJVSSST-OAHLLOKOSA-N 329.302 4.226 0 1 EIAF c1ccc2sc(-c3cncc4ccc(O[C@H]5CCNC5)cc34)nc2c1 1911582006 VWJFZFFZXANMLJ-HNNXBMFYSA-N 347.443 4.252 0 1 EIAF CCCCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 72136549 LBKKZZHJPSRREP-UHFFFAOYSA-N 325.334 4.016 0 3 EIAF C[C@]1(C(=O)O)CCC[C@@]2(C)C3=C(CC[C@H]12)C(=O)c1occc1CC3 14439729 LNCVWXIEKBWIDP-YSSFQJQWSA-N 328.408 4.396 0 1 EIAF biogenic C[C@]12C[C@@H]3O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 17425737 XDGWFGIXONLAIR-GAXNORQESA-N 332.484 4.150 0 1 EIAF Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc(F)c1F 29043513 PMTACPOTSVVFQY-UHFFFAOYSA-N 339.267 4.446 0 1 EIAF CO[C@@H]1C(=O)CC[C@H](C(=O)C(F)(F)F)[C@H]1/C(C)=C/CCC(C)C 38330006 MUKXQNBCKOXHTO-HRYNPVEISA-N 334.378 4.111 0 1 EIAF in-vitro Cc1ccc(NC(=O)C2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918296 QVDJJIYTYHCRQF-UHFFFAOYSA-N 348.446 4.150 0 1 EIAF CC(C)NC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12 49069272 AFSAANXSEKAWGZ-UHFFFAOYSA-N 328.803 4.413 0 1 EIAF COC(=O)[C@@H](C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 71316933 ILLCEQLCOSHXQR-HNAYVOBHSA-N 335.407 4.025 0 1 EIAF CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 82177950 YORRRTCRNFMICW-CYBMUJFWSA-N 327.432 4.200 0 1 EIAF C[C@H]1[C@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 102120116 LKJVKHWUCSHASQ-LSKLOWJMSA-N 328.799 4.356 0 1 EIAF CCOC(=O)/N=c1/sc(CC)cn1-c1cccc(C(F)(F)F)c1 103293706 GFWWUSREHXDWDG-CPNJWEJPSA-N 344.358 4.177 0 1 EIAF COc1ccc(-c2cc(OC)c(CCC(C)(C)O)c(OC)c2)cc1 238748879 XDFCHRICJGCYRU-UHFFFAOYSA-N 330.424 4.083 0 1 EIAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2C[C@@H]3[C@@H]4C[C@]12C[C@@]43C 238751362 TVYLISALUXYSMF-IQIQPHJESA-N 346.511 4.179 0 1 EIAF Cc1ccccc1CN(C)C1CCN(Cc2cnc(Cl)s2)CC1 299866088 VEWTVDCGSZXJFE-UHFFFAOYSA-N 349.931 4.201 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc(C)c2[nH]1 587044906 WCOATDUDXRJFSY-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccnc(O)c3[nH]2)c1 587241547 VANRHEZHDDYGJK-UHFFFAOYSA-N 345.406 4.273 0 1 EIAF O=C(c1cc(Cl)nc(Cl)n1)c1coc2ccc(Cl)cc12 587278412 MFTLQMUDJDXZEU-UHFFFAOYSA-N 327.554 4.414 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(-c3ccccc3F)c1)O2 587384876 KIAFSRUKFSWBGX-IBGZPJMESA-N 336.366 4.214 0 1 EIAF CCCC[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451781 RJKGLFZXQSIROZ-DYESRHJHSA-N 338.403 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(F)cc1)CC2=O 587466510 LSZROGLNARWDAA-FQEVSTJZSA-N 328.383 4.450 0 1 EIAF CNc1cc(Cl)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496971 DBYLWUJQNJONGI-QGZVFWFLSA-N 342.826 4.362 0 1 EIAF O=C1C[C@@H](c2cc(Cl)ncc2F)Oc2c1ccc1c2CCCC1 587510030 UICMAJZUPHOWCN-INIZCTEOSA-N 331.774 4.459 0 1 EIAF C[C@@H]1CCCCN1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517572 PUFKECPFNPUVCJ-VFNWGFHPSA-N 327.468 4.164 0 1 EIAF CC(=O)Nc1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532793 SQUXRHKFDZYRRZ-QGZVFWFLSA-N 341.432 4.292 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1[C@H]3CC[C@@H](C3)[C@H]12 587601288 CLZGPQGCQMGFHH-YZGLTYNUSA-N 348.398 4.159 0 1 EIAF C[C@@H]([C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(F)(F)F 587708259 AGWVPKIWTPOOJG-LTMDPNIMSA-N 340.158 4.362 0 1 EIAF O=C(c1cc2c(s1)CCC2)n1nc2cc1Oc1ccc(F)cc1-2 587876839 UGDWDGMHBKEEOR-UHFFFAOYSA-N 326.352 4.034 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4cncc(OC)c4[nH]3)c2)c1 587930615 DYPIBSDNHFHEEU-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(C)cc2[nH]1 587935761 VNBANELZUHUPML-UHFFFAOYSA-N 334.419 4.461 0 1 EIAF c1ccc2c(c1)N(CCc1nn[nH]n1)c1ccccc1C21CCCCC1 621476073 FRZCZQVXQOLHQS-UHFFFAOYSA-N 345.450 4.144 0 1 EIAF Cc1cc(F)ccc1C1CCN(C[C@H]2Cc3ccccc3CN2)CC1 653745055 YLRVVUNTBVYUEG-OAQYLSRUSA-N 338.470 4.028 0 1 EIAF Cc1ccnc2c1CCN[C@]2(c1cc(F)c(F)c(F)c1)C1CCCC1 963070645 PLLQPSOVWAQCOE-FQEVSTJZSA-N 346.396 4.387 0 1 EIAF Cc1ccc([S@](=O)(=NSC(F)(F)F)N2CCCCC2)cc1 1857571562 KOIHCVZVMAGDMR-NRFANRHFSA-N 338.420 4.391 0 1 EIAF COC(=O)CCCCCn1c2cc(OC)ccc2c2ccnc(C)c21 1857575688 AZCAKTVAQNDAPW-UHFFFAOYSA-N 340.423 4.240 0 1 EIAF Fc1ccc([C@@H](Cn2cncn2)OCc2ccccc2Cl)c(F)c1 1857771507 NFNVSGLYUPCGLE-QGZVFWFLSA-N 349.768 4.168 0 1 EIAF COc1ccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)cc1 61905457 KYLNPEZVLVRFOH-GOSISDBHSA-N 329.396 4.214 0 3 EIAF N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1 2047576 GAVRMVQHHVMXFD-UHFFFAOYSA-N 327.387 4.492 0 1 EIAF in-vivo CC[C@]1(c2ccccc2)C(=O)c2cccn2-c2ccccc2[S@]1=O 13756790 DNJXAPVRLRXLBO-RDPSFJRHSA-N 335.428 4.087 0 1 EIAF CCOC(=O)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12 26833452 HFJGYMWRWBLILC-UHFFFAOYSA-N 345.402 4.256 0 1 EIAF COc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2cc1OC 32540721 KTAMXIZLVILELQ-UHFFFAOYSA-N 329.787 4.352 0 1 EIAF Cn1cc(C(=O)C(=O)Nc2cccc3ccccc23)c2ccccc21 45302779 WVHMTVPZOQPVEL-UHFFFAOYSA-N 328.371 4.153 0 1 EIAF COc1ccc(-c2ccc(C(=O)CCCCCO)cc2)cc1OC 58582534 PNHQDXAYXKKVAM-UHFFFAOYSA-N 328.408 4.106 0 1 EIAF O=C(O)C[C@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1 100879290 BFQWMOFSXCHUDB-IBGZPJMESA-N 349.434 4.196 0 1 EIAF O=C(NC1CCC(O)CC1)N1c2ccccc2C=Cc2ccccc21 103231485 KTHQHFARVNXTDO-UHFFFAOYSA-N 334.419 4.322 0 1 EIAF Cc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)cn12 113422307 VYPBPELBXLFGQS-UHFFFAOYSA-N 334.448 4.336 0 1 EIAF O=C1NC[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc2[nH]cnc2c1 116193534 JSFWXAJUQDJMRX-HNNXBMFYSA-N 347.205 4.141 0 1 EIAF O=C1/C(=C/c2ccc(-c3ccccc3)cc2)N=C2SCCCCN12 138353515 SMXWEELYOFIWGW-JXAWBTAJSA-N 334.444 4.420 0 1 EIAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)s1 473125501 QFOMVYRTNBRLRM-SFHVURJKSA-N 348.475 4.271 0 1 EIAF Cc1cc(C(N)=O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1 474609598 QYAZHBMAGSMOGD-UHFFFAOYSA-N 327.387 4.304 0 1 EIAF Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1C 586985062 YAECSFBXXRXECO-AWEZNQCLSA-N 344.256 4.185 0 1 EIAF Cc1ccc(C)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587075136 CXESLWBEEZEWLU-OAHLLOKOSA-N 325.799 4.450 0 1 EIAF Cc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587077785 XVMCIHLISKIXCY-INIZCTEOSA-N 326.831 4.257 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587161856 RTVBIBNUVXXSSY-GHMZBOCLSA-N 332.281 4.295 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCc3c[nH]cc32)[C@@H]1c1ccc(F)cc1 587343664 DAVXSKSHVILTPC-CTNGQTDRSA-N 349.361 4.060 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1CC(C)C)O2 587390703 NJGAXHQUHAHMQS-IBGZPJMESA-N 349.434 4.289 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1F)CC2=O 587465352 CHAACEAVMVVKFV-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3[nH]cc(C)c3c1)CC2=O 587483817 MBHMGQUBLATJSH-GOSISDBHSA-N 336.391 4.236 0 1 EIAF CCCc1csc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 587495777 UAJPSXVALWOZNE-INIZCTEOSA-N 331.437 4.460 0 1 EIAF O=C1C[C@@H](c2ccccc2-n2ccnc2)Oc2c1ccc1c2CCCC1 587515383 LUNXUHJDDFBBLG-NRFANRHFSA-N 344.414 4.458 0 1 EIAF CCCCCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525972 XBUJGDCDEJTTRD-NRFANRHFSA-N 344.451 4.413 0 1 EIAF CC(C)(CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587528598 CMJHQSPPMQKVIZ-FQEVSTJZSA-N 330.424 4.180 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]12 587601290 CLZGPQGCQMGFHH-ZPHQCWABSA-N 348.398 4.159 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCC(C)(C)O2)N1 587831621 IGMDANRAMZAMKY-MURWCNHISA-N 342.252 4.121 0 1 EIAF Nc1cccc(Oc2cc(Oc3cccc4cccnc34)ncn2)c1 653753989 LPXURQVLEHYANP-UHFFFAOYSA-N 330.347 4.192 0 1 EIAF Cc1c(F)ccc2c1[C@@](c1ccco1)(c1cccnc1Cl)NCC2 962092105 LUQAZDFSLYODEP-IBGZPJMESA-N 342.801 4.213 0 1 EIAF CCCCCC1=CCC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962921198 GKDQKEXTUQGEFG-OAQYLSRUSA-N 326.484 4.030 0 1 EIAF CCOC(=O)C[C@@]1(CC(C)C)c2ccc(F)cc2C[C@@H]2CCCN21 963113458 UMLOSAQXNHTGMF-PXNSSMCTSA-N 333.447 4.041 0 1 EIAF COCCCN=c1[nH]n(C2CCCC2)c2ccc(C(F)(F)F)cc12 1857586161 FYNPGKLLAULPQF-UHFFFAOYSA-N 341.377 4.041 0 1 EIAF CCC[C@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911582566 RBOFAAFEJQFDCN-FQEVSTJZSA-N 325.452 4.394 0 1 EIAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23CN1C 2356863996 UTZOQTBZXWPTNC-LGQLFTLUSA-N 330.560 4.287 0 1 EIAF Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3CCC=C[C@H]32)cc1 1630958 BAZCTAUTVPNAQT-IEBWSBKVSA-N 325.433 4.006 0 1 EIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1 5034967 LIEPNLLABKGRMO-CHWSQXEVSA-N 342.870 4.495 0 1 EIAF CCCCC[C@@H](O)/C=C/C1=CCC(=O)[C@@H]1CCCCCCC(=O)O 6592213 PUIBPGHAXSCVRF-UQPQFNMUSA-N 336.472 4.424 0 1 EIAF in-vitro CC(C)=CCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13 13532276 PBAUESPYKMKWLB-HFSMHLIXSA-N 325.452 4.057 0 1 EIAF O=C(CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 13834239 SDTHWAALASORTP-UHFFFAOYSA-N 327.374 4.327 0 1 EIAF COc1cccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)c1 13863450 IUBJMZDJKIYGNR-VQTJNVASSA-N 348.446 4.248 0 1 EIAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N(C)C2 27724913 NRQIOYJXOKSZCR-OKDNKWQNSA-N 335.875 4.106 0 1 EIAF CC(C)CSC[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C 28890347 WTWGTPSCRLAKHR-OAHLLOKOSA-N 347.311 4.477 0 1 EIAF C[C@H]1CC[C@@H](C)N1C[C@H](O)COC(c1ccccc1)c1ccccc1 40505387 PASGDOWIXPAUQU-UEXGIBASSA-N 339.479 4.026 0 1 EIAF Cc1ccccc1-c1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 58633489 MWRHZZFHXSJLGY-UHFFFAOYSA-N 338.317 4.399 0 1 EIAF in-vitro Cc1c(-c2ccc(O)cc2)[nH]c2ccc(N3CCCCC3)cc2c1=O 72113542 PEXVOUJLLPPEDC-UHFFFAOYSA-N 334.419 4.199 0 1 EIAF NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccc2ccccc2c1 95582257 IRZMVHVAKKIUEZ-LJQANCHMSA-N 331.444 4.235 0 1 EIAF Cc1cc2oc(-c3ccc(N4CCCC4)cc3)c(O)c(=O)c2cc1C 102948256 VXIJBUIFHOWGND-UHFFFAOYSA-N 335.403 4.383 0 1 EIAF CC(=O)NCCc1c(-c2ccccc2)oc2ccc3c(c12)CCCO3 103234076 NLELVALZLFITFR-UHFFFAOYSA-N 335.403 4.103 0 1 EIAF Cc1n(Cc2ccccc2C(F)(F)F)cc[n+]1Cc1ccccc1 115107722 IHCIEOZUJNOSPC-UHFFFAOYSA-N 331.361 4.199 0 1 EIAF CCCCN(c1sc2ccccc2c1C(C)=O)S(=O)(=O)CC 115231803 LGESYQJYNFTULJ-UHFFFAOYSA-N 339.482 4.060 0 1 EIAF CN1CCc2c(c3cc(Cl)ccc3n2C[C@H](O)c2ccccc2)C1 169350485 VFQPIPKLBMSSPS-FQEVSTJZSA-N 340.854 4.016 0 1 EIAF O=C(Nc1cc2c(O)cc(-c3ccccc3Cl)nc2cn1)C1CC1 169700093 CCRWGGHSAZDLDA-UHFFFAOYSA-N 339.782 4.004 0 1 EIAF CCS(=O)(=O)c1ccccc1-c1nc2cccc(C(C)(C)C)c2[nH]1 586921502 BDGGUFYXNHNYJF-UHFFFAOYSA-N 342.464 4.321 0 1 EIAF Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003717 NKHBJCACDGMSER-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF c1ccc(C[C@@H]2N[C@@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 587041985 RAGQLJRGRKLQSL-RTBURBONSA-N 349.503 4.388 0 1 EIAF Fc1cc(Cl)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587092272 UXJNXJOLMAUYLK-UHFFFAOYSA-N 345.683 4.359 0 1 EIAF Clc1ccnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587232644 XULMRFUYUJMAJH-UHFFFAOYSA-N 338.798 4.161 0 1 EIAF Cc1cnc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1 587246496 AZUKDTPZSDQAQK-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(O)cc(C)c(Cl)c1C)[C@@H](C2)C3=O 587419612 FIPIJGPQKATSQP-HXPMCKFVSA-N 344.794 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(F)c1F)CC2=O 587466306 NBXJSDQEYWZPLF-INIZCTEOSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1OC)CC2=O 587466931 QRHQDVTUZZNQFU-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF Cn1nc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516814 WUORDTUJSIFNIL-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 587787037 UFFJZKXROGDRLV-KGLIPLIRSA-N 340.810 4.468 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC 2356432975 RNCWKUCWPBNWOH-KJNZLNQQSA-N 333.516 4.292 0 1 EIAF COc1ccc2c(c1)OC[C@@H]1c3cc4c(cc3O[C@H]21)OC(C)(C)C=C4 2356515958 GYCYIUKEDMRHDH-OXQOHEQNSA-N 336.387 4.489 0 1 EIAF CCCCCC=C[C@@H](O)[C@@H](O)C=CC=CCC=CCCCC(=O)O 2356686366 CGXPEDOFBFGHJH-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF Cc1cccc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)cn12 1019630 WQGHOTYFVFGGJL-UHFFFAOYSA-N 341.414 4.491 0 3 EIAF aggregator C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCC1=CC(=O)OC1 12153795 FEOFLRVZBOQGQA-UNGRWJMUSA-N 332.440 4.113 0 1 EIAF biogenic CC(C)=CCOc1cc2oc(=O)ccc2c(O)c1OCC=C(C)C 14776108 OTIRAMDDLMSNOI-UHFFFAOYSA-N 330.380 4.189 0 1 EIAF biogenic CC[C@H](c1ccc(C(F)(F)F)cc1)n1c(C(=O)OC)c[nH]c1=S 28334111 YVJDFGFLUXRHPM-LLVKDONJSA-N 344.358 4.350 0 1 EIAF O=C1Cc2c(n(Cc3ccccc3)c3ccccc23)-c2ncccc2N1 29053529 WWNHBQZAGKFTGQ-UHFFFAOYSA-N 339.398 4.246 0 1 EIAF COc1ccc([C@@H]2CC[C@H](OC/C=C/c3cccnc3)O2)cc1OC 29313648 CSFAXQWSXQRRAJ-CXKYAALTSA-N 341.407 4.006 0 1 EIAF O[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)CN2CCCC[C@@H]2CO1 40423128 WPRGWNSLSGTMRS-UXHICEINSA-N 343.854 4.037 0 1 EIAF O=C(c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)N1CCCCCC1 40896910 CFIVKPWBLSPJTC-UHFFFAOYSA-N 338.238 4.400 0 1 EIAF Cc1ccc(Nc2cnc(N3CCCCC3)c(C)c2)c(C(=O)O)c1 113898653 KYXLPJYUHFIQRE-UHFFFAOYSA-N 325.412 4.131 0 1 EIAF CC(=O)Oc1ccc([C@@H](OC(C)=O)c2cccc3ccccc23)cc1 139317456 HZUMKBDKBMMTJJ-OAQYLSRUSA-N 334.371 4.418 0 1 EIAF Cn1ncc2c(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4)C3)cccc21 169704867 ZUBKNAZCFHWQRU-HZPDHXFCSA-N 334.423 4.031 0 1 EIAF COc1cc(OC)cc(-c2nc(-c3c[nH]c4ccccc34)cnc2O)c1 299823478 DSQLZVNXJXQQGE-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF Oc1ccc(C2(c3nc4ccc5c(c4[nH]3)CCCC5)CCOCC2)cc1 586914129 UDVCUVNGXHODQA-UHFFFAOYSA-N 348.446 4.244 0 1 EIAF Cc1cc(F)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 586979027 OGKDAHAHTGZERG-UHFFFAOYSA-N 334.192 4.452 0 1 EIAF O=C(O)c1cc(F)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085819 JMJWBYJPTFZRIJ-UHFFFAOYSA-N 341.729 4.269 0 1 EIAF COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1C 587135935 IPMZXDDGQWGCGW-UHFFFAOYSA-N 343.402 4.446 0 1 EIAF O=C(O)C12C[C@H]3C[C@@H](C1)CC(c1cc4c5c(cccc5n1)CC4)(C3)C2 587216109 ZNGAZOBVGSNOAP-NAZSJPOASA-N 333.431 4.256 0 1 EIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(O)cc2[nH]1)C1CCCC1 587226096 OSISUMTXRCISGP-OAHLLOKOSA-N 331.416 4.025 0 1 EIAF COc1cc2ccccc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587403150 KFUNXXRPBOODCE-FQEVSTJZSA-N 333.387 4.446 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(O)cc(C)c(Cl)c1C)[C@@H](C2)C3=O 587419608 FIPIJGPQKATSQP-BUXKBTBVSA-N 344.794 4.160 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCN(CC=C(C)C)CC1)CC2=O 587474953 INFWBBFKVHYPCW-UHFFFAOYSA-N 343.467 4.111 0 1 EIAF O=C1C[C@@H](c2nccc(C(F)(F)F)n2)Oc2c1ccc1c2CCCC1 587506576 KJAFQZOAMHVSRC-AWEZNQCLSA-N 348.324 4.081 0 1 EIAF CCCn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587515405 MGQCOOKQJXOQPL-NRFANRHFSA-N 338.451 4.361 0 1 EIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600819 BPPXASWYZOCJNQ-RFENRYQASA-N 348.398 4.159 0 1 EIAF CCn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587756652 SSHIHALEYPSCAU-QFYYESIMSA-N 337.236 4.033 0 1 EIAF COc1ccc(OC)c(-c2nc3ccc(Cl)c(C)c3[nH]2)c1OC 587799369 YFMWKOVCCGTYKZ-UHFFFAOYSA-N 332.787 4.218 0 1 EIAF C[C@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc(Cl)ccc1O2 2498590 FALASDILZBJNJM-PBHICJAKSA-N 332.762 4.249 0 1 EIAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccc(Cl)cc3N2O1 13437085 JTLCTTWVUAIQHD-VQIMIIECSA-N 328.843 4.057 0 1 EIAF O=c1[nH]c2ccc(Cl)cc2n1Cc1c(Cl)cccc1Cl 14947172 VDFKYIMTLCMJNH-UHFFFAOYSA-N 327.598 4.338 0 1 EIAF CCC(=O)N(c1ccccc1)[C@H]1CCCN(CCc2ccccc2)C1 27875117 DNNMISCMTBYZKU-NRFANRHFSA-N 336.479 4.137 0 1 EIAF CC(C)COc1ccc(Cl)cc1/C(=C/CN(C)C)n1ccnc1 28764477 OHFSTPFKLUPEKH-IDUWFGFVSA-N 333.863 4.022 0 1 EIAF COc1oc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)O)c(C)c(=O)c1C 39049714 ZMSSBNLNFAIVPK-MTGFRBBYSA-N 332.440 4.027 0 1 EIAF COc1ccc2c(c1)C(=O)C(c1ccc(Oc3ccccc3)cc1)=[N+]2[O-] 45245492 XWNBEJUASQMKQR-UHFFFAOYSA-N 345.354 4.315 0 1 EIAF O=c1c(O)c(-c2cc(Br)ccc2F)oc2ccccc12 299836662 OGIJEXWCHFAYRS-UHFFFAOYSA-N 335.128 4.067 0 1 EIAF in-vitro FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)cc2[nH]1 587088599 PSPSTRAKHIXMKG-SECBINFHSA-N 342.187 4.075 0 1 EIAF Cc1nccc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 587137625 CTIZGCNMYGTNQQ-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF COc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cn1 587149223 IPEQGLOFCXUJLV-IBGZPJMESA-N 348.381 4.307 0 1 EIAF COc1ccc2cc(-c3cc4c5c(cccc5n3)CC4)c(=O)oc2c1 587216630 HZIVLYZTOCBCDZ-UHFFFAOYSA-N 329.355 4.115 0 1 EIAF CCCCc1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)[nH]1 587379052 FYJNAZLNHWKAOA-ZDUSSCGKSA-N 333.819 4.003 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(F)(F)F)O2 587381516 GLMBXZFLNZCBCI-HNNXBMFYSA-N 337.297 4.182 0 1 EIAF CCOC(=O)C[C@]1(CCCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587397649 AFKIQGYYMUUYSD-FQEVSTJZSA-N 347.455 4.061 0 1 EIAF COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)CCCC2 587402352 CECULLCVOCNYMP-FQEVSTJZSA-N 337.419 4.171 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccccc4C)c1)[C@@H](C2)C3=O 587430614 JRRJBXOVTMFGIN-JTSKRJEESA-N 345.398 4.283 0 1 EIAF O=C1C[C@H](c2cn3cccc(F)c3n2)Oc2c1ccc1c2CCCC1 587510027 UHYCIKPCDXIELM-GOSISDBHSA-N 336.366 4.059 0 1 EIAF CCCC(=O)O[C@@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587520515 DNNOURYDFZXTMN-RBZFPXEDSA-N 330.424 4.021 0 1 EIAF CCOC(=O)[C@@H](C(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522954 JLJQWYJHCICLAR-NQIIRXRSSA-N 344.451 4.125 0 1 EIAF COc1ccc2c(c1)CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587527565 WWOHQEVELQLYQE-HSZRJFAPSA-N 348.442 4.467 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587528096 ZNUQTYJRMCLXAR-IBGZPJMESA-N 338.403 4.289 0 1 EIAF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 587637645 MHIWBLCZZMNDCM-UHFFFAOYSA-N 345.301 4.043 0 1 EIAF CCOC(=O)Cc1ccc2nc(-c3ccc(C)c(OCC)c3)[nH]c2c1 587778500 OEWSWCYVJCNGQL-UHFFFAOYSA-N 338.407 4.043 0 1 EIAF Oc1ccc2[nH]cc(CCN3CCC(Cc4ccccc4)CC3)c2c1 653693465 VZKCWHNMANCXCN-UHFFFAOYSA-N 334.463 4.371 0 1 EIAF CCCN1C[C@@H]2C[C@H](C1)C21NCCc2cc(-c3ccccc3)ccc21 962660144 HEXONBPUOZPVOU-TYABSZSSSA-N 332.491 4.056 0 1 EIAF COc1cc(C)c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962661590 CYFYAOHXNHGIGK-JOCHJYFZSA-N 330.431 4.301 0 1 EIAF Cc1ccnc([C@@]2(c3ccc(C)cc3C)NCCc3c(C)ccnc32)c1 963073381 PVFIIOOSQZCBKL-HSZRJFAPSA-N 343.474 4.148 0 1 EIAF FC(F)(F)c1ccc(/C=C/CNCC2=CO[C@@H]3C=CC=C[C@H]23)cc1 1772579581 GYXZAGMMDDXFGS-GVKUHWBJSA-N 333.353 4.333 0 1 EIAF O=[S@](Cc1cscn1)C(c1ccc(F)cc1)c1ccc(F)cc1 1857543227 KPNXJZLZXZWKIO-HSZRJFAPSA-N 349.427 4.460 0 1 EIAF CNC[C@@H]1C[N@]1[C@@H]1C=CC[C@@]2(C)[C@@]13CC[C@H](C)[C@]21CCC(C)=C1C3 2356358831 YKMCBIXVHAACBC-BGVFSDLWSA-N 326.528 4.142 0 1 EIAF O=C(O)c1cccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)c1 61896861 YVYOXVLEYFNPBR-OAHLLOKOSA-N 345.807 4.243 0 3 EIAF CN(C)c1ccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)cc1 61906792 CRHVUSLUWJYYQI-KRWDZBQOSA-N 346.402 4.236 0 3 EIAF C[C@@]1([C@@]2(C)COC(c3ccccc3)(c3ccccc3)O2)CCCCN1 2015233 LXSFMSNAFNZVIS-LEWJYISDSA-N 337.463 4.225 0 1 EIAF in-vitro Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 13740255 YWDPQXQHYYMNDR-PDGJWGCVSA-N 349.474 4.475 0 1 EIAF c1ccc2c(c1)Oc1ccccc1C2SCCCN1CCOCC1 25967506 VZSSJWHYJSGJHE-UHFFFAOYSA-N 341.476 4.337 0 1 EIAF C/C=C/c1cc(-c2ccc(S(C)(=O)=O)cc2)n(C2CCCCC2)n1 26269203 VRGALDSNNMSBRN-XVNBXDOJSA-N 344.480 4.492 0 1 EIAF Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Cl)ccc2O)n1 26386624 CWXHITZABYPDRS-UHFFFAOYSA-N 347.205 4.482 0 1 EIAF CCCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC 26489886 KGQKQUXHXIGDOT-UHFFFAOYSA-N 329.440 4.096 0 1 EIAF CN(C)c1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)cc1 64447031 ZUKGMZSCSBBVBJ-UHFFFAOYSA-N 346.843 4.143 0 1 EIAF CCCCNC(=O)c1cnc(NCCCC)nc1-c1ccc(F)cc1 82136211 HSVKTNFPVFFENZ-UHFFFAOYSA-N 344.434 4.025 0 1 EIAF CCCCc1nc(Cl)c(C=O)n1CC(=O)c1ccc(Cl)cc1 103291649 UPQNREIYDGRVBH-UHFFFAOYSA-N 339.222 4.228 0 1 EIAF CCCCCCNC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 145490252 ZDJZFDUXRZUEIT-ZGXOVZCESA-N 337.504 4.151 0 1 EIAF Cc1nc2ccccn2c1C(=O)NCc1ccc(-c2ccccc2)cc1 169329379 KHRAJJUDEFMENB-UHFFFAOYSA-N 341.414 4.240 0 1 EIAF Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@@H]2[C@H]2C[C@H]21 169718555 SDYADZMWEXRUPW-MPZDIEGVSA-N 333.309 4.294 0 1 EIAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O 169720215 PQTMSGVZUGBSRD-BUXKBTBVSA-N 328.408 4.273 0 1 EIAF O=C1C[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845740 VGXAKPBLUMROSA-NJDAHSKKSA-N 334.463 4.061 0 1 EIAF Cc1c(Br)ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c12 587135329 ZDLNWQFQDAEWIV-UHFFFAOYSA-N 338.155 4.161 0 1 EIAF COc1cccc(-c2cc(C(N)=S)nc3c2oc2ccccc23)c1 587366498 RTACMRNZUCLDPN-UHFFFAOYSA-N 334.400 4.291 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2c(N)cccc21 587388832 HDSIVTXYSJWULC-JOCHJYFZSA-N 342.398 4.049 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C1\CCCO1)(c1ccccc1)O2 587410858 GUJNXLUVDPUBNP-AUFJSOOLSA-N 335.403 4.132 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(C1CCC1)[C@@H](C2)C3=O 587446011 RDUJIKZCRYWXMQ-PGRDOPGGSA-N 334.415 4.447 0 1 EIAF COc1cc2c3c(c1)O[C@@H](CCCc1ccc(C)c(C)c1)[C@@H](C2)C3=O 587446063 SLAKHUCBMOQOGU-MOPGFXCFSA-N 336.431 4.451 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)C4CCC4)c1)[C@@H](C2)C3=O 587446463 XBAQRWSSQFXEPH-HTAPYJJXSA-N 348.398 4.167 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1csc4c(C)nccc14)[C@@H](C2)C3=O 587452477 NJVFIQLPYFGKGN-SCLBCKFNSA-N 337.400 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CCC)nc1C)CC2=O 587477949 WRIRTWSLFNJAOF-HXUWFJFHSA-N 342.439 4.140 0 1 EIAF C[C@@]1(c2ccc3nc(O)oc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527347 TYZAEUUGOFMYIS-NRFANRHFSA-N 349.386 4.293 0 1 EIAF COc1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC 587925571 CUKREBWUIIOTKY-UHFFFAOYSA-N 337.206 4.478 0 1 EIAF Fc1cc(F)c(F)c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)c1F 963113552 UQKXEPFJGPEDLI-MLCYQJTMSA-N 339.307 4.492 0 1 EIAF c1ccc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)cc1 1772645924 YNFOJDQPPXTHNJ-UHFFFAOYSA-N 346.434 4.018 0 1 EIAF COc1cc(-c2cnc3cnc(-c4ccccc4C)cn23)ccc1O 1857617408 SCCNRJBRZPSWPQ-UHFFFAOYSA-N 331.375 4.086 0 1 EIAF O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(C(F)(F)F)c1 1857648032 BZDGWQFMLFKGCT-UHFFFAOYSA-N 332.281 4.256 0 1 EIAF CN(C)Cc1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 61903797 SVIAELWWXNJWFT-UHFFFAOYSA-N 332.473 4.146 0 3 EIAF Cc1cc2c(cc1C)N(Cc1cccc(F)c1)/C(=C1/C=CC=NC1=O)N2 103657627 RJOHASSHGSTGPD-JZJYNLBNSA-N 347.393 4.253 0 3 EIAF CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(=O)OC)cc1 3806285 HEWCDJZILMXLDV-FCEUIQTBSA-N 349.474 4.353 0 1 EIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N(C)C 4295637 RVGPATLOLUZPGU-MOPGFXCFSA-N 346.471 4.187 0 1 EIAF Cc1cccc(C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)c1C 13684667 MAILCUQIIANVIO-IBGZPJMESA-N 344.886 4.380 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3)[C@@H]12 33964159 GEQKTSPOTKEYOG-RQEHFGSBSA-N 331.500 4.077 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 38159542 IAPLTZHXXFXFMM-XQHFJLGDSA-N 328.452 4.479 0 1 EIAF CCCN1CN(CCC)[C@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 40741546 SYPMKHCNHPDZJM-OYRHEFFESA-N 340.467 4.275 0 1 EIAF COc1ccccc1Oc1cc(NCc2ccccc2F)ncn1 82067700 ZIDGWBMFURMACS-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccco2)sc1C 82165787 ZJIMOWBZDNCQQD-UHFFFAOYSA-N 340.452 4.467 0 1 EIAF CC[C@H](C)[C@@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O 101199871 IIZDOXATMSSHGP-CABZTGNLSA-N 345.386 4.253 0 1 EIAF O=C1c2ncc(COc3ccccc3)cc2CCN1c1ccc(F)cc1 165987906 TUFNMJHVZXMYLX-UHFFFAOYSA-N 348.377 4.003 0 1 EIAF CC1(C)COc2c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cccc21 586911381 ICJFEDHFMGMOSU-UHFFFAOYSA-N 348.381 4.225 0 1 EIAF Cc1ccc(CSCCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 586970165 AUQPCWSJYBKDSM-SFHVURJKSA-N 340.452 4.071 0 1 EIAF CCn1nccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988100 YUURDKPROPLNKQ-UHFFFAOYSA-N 341.370 4.035 0 1 EIAF Fc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587030120 YJYHFRFZBIRIQW-UHFFFAOYSA-N 349.394 4.224 0 1 EIAF OCc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587076341 LFKHRAVIWKNJKF-SFHVURJKSA-N 341.842 4.046 0 1 EIAF CC[C@@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097639 NBQBKCIBSWAEAF-CYBMUJFWSA-N 345.398 4.421 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)c1F 587149711 AEJOBFZLJYXSOO-NWDGAFQWSA-N 342.345 4.274 0 1 EIAF OCc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587150879 UKJSVYCMPMLPPK-FQEVSTJZSA-N 347.393 4.396 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(F)c(C)c3n1C)O2 587385819 QNQCAICBVGEKOS-GOSISDBHSA-N 338.382 4.223 0 1 EIAF CC[C@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402591 ZNQRPQLXHUUQGL-ORAYPTAESA-N 325.408 4.461 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3occ(C)c31)O2 587412065 LTAPZQQVRLADJC-FQEVSTJZSA-N 325.408 4.312 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1CCC(C)C)[C@@H](C2)C3=O 587431117 MWQFSEPWFSMYTA-YWZLYKJASA-N 325.408 4.032 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(C1CCCCC1)[C@@H](C2)C3=O 587435705 IJISNYPXDZOKBE-JTSKRJEESA-N 349.430 4.313 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1N(C)C)CC2=O 587469760 PFEGQDHPZYAODK-NRFANRHFSA-N 339.435 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)[nH]n1)CC2=O 587485627 PSYXIEFVKWVPFI-FQEVSTJZSA-N 348.402 4.441 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(O)cc1C)CC2=O 587487753 IFHTYBKLXPQCHM-GOSISDBHSA-N 326.392 4.374 0 1 EIAF Cc1ccc(-c2noc(-c3c(C)[nH]c4c(C(=O)O)cccc34)n2)cc1 587638943 KIOORPXZWWLATO-UHFFFAOYSA-N 333.347 4.200 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587789337 CWXCDUPXTAXBBK-VPTHRUTESA-N 337.236 4.157 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)c1 587933301 XUWXXGUAXMDTNO-UHFFFAOYSA-N 344.370 4.175 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12COCc1cc(OC)ccc12 963230715 ACNGQMAGJQQJOE-OPAMFIHVSA-N 337.463 4.126 0 1 EIAF O=C(O)CCCSc1nnc(-c2cccc(C3CC3)c2Cl)o1 1857545092 OIOPOFFXHBHHEC-UHFFFAOYSA-N 338.816 4.224 0 1 EIAF COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(Cl)c(Cl)c2)n1 61895765 ALBXCBCCLDGLKM-MRXNPFEDSA-N 349.217 4.474 0 3 EIAF O=C1O[C@@H]2c3ccccc3C(=O)[C@]2(c2ccccc2)N1c1ccccc1 1650538 QSWDLZWLBGEPJH-IRLDBZIGSA-N 341.366 4.476 0 1 EIAF Cc1cccnc1N1C(=O)CS[C@H]1c1c(Cl)cccc1Cl 5931430 UDEVNDKECVYRBP-HNNXBMFYSA-N 339.247 4.475 0 1 EIAF C[C@]1(CC(=O)O)OCCc2c1sc1c(Cl)ccc(Cl)c21 13980188 NXPSPUNCVVZAHS-CQSZACIVSA-N 331.220 4.471 0 1 EIAF CN(C)/C=C1\C(=O)N(c2cccc(Br)c2)c2ccccc21 27517713 QASQITDVEOOESU-PTNGSMBKSA-N 343.224 4.030 0 1 EIAF Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3C(C)C 28712254 VCCJMYJGBLBXIN-MRXNPFEDSA-N 330.391 4.480 0 1 EIAF Clc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1 45300170 NHKUKWRTDRJHSE-UHFFFAOYSA-N 347.915 4.345 0 1 EIAF Cc1csc(NC(=O)c2cc(Sc3ccccc3)ccc2N)n1 45497252 PRUWOCJLEGVIOI-UHFFFAOYSA-N 341.461 4.437 0 1 EIAF O=C1c2ccccc2-n2ccc3c4ccc(Br)cc4nc-3c21 59131432 NDMAFZQZLLBIEF-UHFFFAOYSA-N 349.187 4.437 0 1 EIAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133233 JBQPFQDHEWMIEY-CQSZACIVSA-N 338.455 4.026 0 1 EIAF COc1ccc([C@H](C)c2ccc3c(ccn3C)c2)c(OC)c1OC 95585871 NUMYGDDLVWVHKN-CYBMUJFWSA-N 325.408 4.356 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccc3oc4ccccc4c13)C2 101273561 MBRGBUNUYUWPGA-ZIAGYGMSSA-N 335.403 4.368 0 1 EIAF CC(C)OC(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144697530 ULVRUGWIWBSRQR-QGZVFWFLSA-N 336.309 4.030 0 1 EIAF CCC/C=C/COC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253710266 VYMTVUHJJJHELN-DHBFDMHPSA-N 336.472 4.354 0 1 EIAF O=C(Cc1ccc(Cl)c(Cl)c1)n1sc2ccccc2c1=O 299826930 MYQIKQZBTUPQJR-UHFFFAOYSA-N 338.215 4.253 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@H]1CC[C@@H](C4)N1)-c1ccccc1C2=O 587097092 PEHDCRJZASULPD-YVEFUNNKSA-N 326.399 4.104 0 1 EIAF N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587155169 IHQAIPQYPNOUFZ-MGPLVRAMSA-N 336.197 4.350 0 1 EIAF Cc1cncc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587162051 BMHVRQLNHUVIIT-UHFFFAOYSA-N 331.350 4.303 0 1 EIAF Cc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Br 587177747 XJXBQFOZYPFADM-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587196068 PYKJNVVIMSMNAM-SNVBAGLBSA-N 345.349 4.102 0 1 EIAF N=c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 587253204 DAIZKOMUWRZMLH-UHFFFAOYSA-N 344.296 4.089 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4c(C)cc(C)cc4[nH]1)[C@@H](C2)C3=O 587439327 VANHMWAMFZHLOV-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(OC)c1)CC2=O 587468325 WFUGGOLTSLZQOI-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(F)cc13)CC2=O 587471599 LKTGQBVAEOTNPK-QGZVFWFLSA-N 340.354 4.067 0 1 EIAF Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587657462 XPBALJGUYWTFPM-UHFFFAOYSA-N 349.340 4.034 0 1 EIAF CSC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587842000 CUBWFEWTFFWZPB-OQPBUACISA-N 330.266 4.059 0 1 EIAF COc1cc(N)c(-c2nc(-c3cc(F)ccc3F)cs2)cc1OC 587922178 LAQGBYXMUBSQRX-UHFFFAOYSA-N 348.374 4.355 0 1 EIAF CCOc1cccc(OCC)c1[C@]1(C)NCCc2ccc(F)c(C)c21 962142915 HCZGMWVYTQNAAO-OAQYLSRUSA-N 343.442 4.341 0 1 EIAF COc1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(F)c1OC 963099270 JJWCKTFPHBSSFA-KXBFYZLASA-N 345.389 4.092 0 1 EIAF C[C@H](c1cccc([C@@H](C)C2CC2)c1OCOP(=O)(O)O)C1CC1 1772575685 PRJBXHMFUJEEJV-RYUDHWBXSA-N 340.356 4.159 0 1 EIAF CN1C[C@@](O)(c2ccc(-c3ccc(O)cc3)cc2)Sc2ccccc21 1857630155 INWYBOFZZGUKPA-NRFANRHFSA-N 349.455 4.446 0 1 EIAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)O[C@H](C1CCCCC1)C2 95569405 REXXWSMHQUYRAQ-DOTOQJQBSA-N 342.464 4.043 0 3 EIAF C[C@H]1CN(C)[C@@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 1026047 STYAGPHRIVPVTJ-ZWOKBUDYSA-N 337.463 4.090 0 1 EIAF C=C[C@H](OC(=O)[C@H](C)CC)c1ccc(OC(=O)C(C)C)c(OC)c1 15113383 SUONLOMSEGBVDU-HIFRSBDPSA-N 334.412 4.073 0 1 EIAF biogenic O=C(c1ccn2c1CS[C@H]2c1cccnc1)c1c[nH]c2ccccc12 26732764 DEYKZUJGURSBKE-FQEVSTJZSA-N 345.427 4.389 0 1 EIAF Fc1cccc(CNc2ncnc3ccc(-c4cccnc4)cc23)c1 36380646 HHTWQKPKPJGVKA-UHFFFAOYSA-N 330.366 4.443 0 1 EIAF Cc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC3)cc1Cl 40949679 PLIIEBLRLWYQGK-UHFFFAOYSA-N 332.812 4.128 0 1 EIAF COc1ccc(-c2ccc3c(c2)CC[C@]3(O)c2ccncc2)cc1F 40975554 VKGRHANZJPGGQL-NRFANRHFSA-N 335.378 4.078 0 1 EIAF CSc1ccc(/C=C2\C=C(CC(N)=O)c3cc(F)ccc32)cc1 84712593 FVNNDKOXBRNROG-MDWZMJQESA-N 325.408 4.361 0 1 EIAF C[C@]1(c2cccc(OCCCc3ccccc3)c2)CCSC(N)=N1 96174359 YJLHAJGUJSJUTR-HXUWFJFHSA-N 340.492 4.365 0 1 EIAF Cc1oc2c(c1-c1nc3c(Cl)c(Cl)cnc3[nH]1)C(=O)CCC2 586903036 FXXQNABYYYESNL-UHFFFAOYSA-N 336.178 4.352 0 1 EIAF Cc1cc(Cc2nc3cncc(Cl)c3[nH]2)ccc1Br 586975439 CPXVALPDMCMAIJ-UHFFFAOYSA-N 336.620 4.273 0 1 EIAF CC(C)(C)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2n1 587035982 YFAASHFQFYVUDR-ZDUSSCGKSA-N 327.453 4.173 0 1 EIAF OCCc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074568 XOCXNSUKWOPBSD-UHFFFAOYSA-N 326.827 4.221 0 1 EIAF Oc1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587075257 GZPBWFQOVYBKCV-OAHLLOKOSA-N 327.815 4.259 0 1 EIAF CC[C@@H](C(=O)OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108217 XJOIJIYHOCWZOS-GFCCVEGCSA-N 331.371 4.113 0 1 EIAF Fc1c(F)c(F)c(/C=C/c2nc3cncc(Cl)c3[nH]2)c(F)c1F 587134108 HYJQPDKSEUUTRZ-OWOJBTEDSA-N 345.658 4.477 0 1 EIAF Cc1ccc2c(ccc3nc(-c4cnc5c(F)cccc5c4N)[nH]c32)n1 587176992 YJBFVUNYPCMXEB-UHFFFAOYSA-N 343.365 4.356 0 1 EIAF COc1ccc(NC(C)(C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 587201808 VTKNTBDNGNEASM-UHFFFAOYSA-N 325.412 4.236 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(C(F)(F)F)cc31)O2 587382904 PLRCLWIVXCMRHG-SFHVURJKSA-N 347.336 4.403 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4nccs4)cc1)[C@@H](C2)C3=O 587454689 ZKSQRDGJBXOEIK-HNAYVOBHSA-N 349.411 4.307 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)cc1 587564349 JIYGTUWKSOWEFM-UHFFFAOYSA-N 330.819 4.225 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)c2ccccc2C1=O 587631548 FLKWSRRTRRVHFG-UHFFFAOYSA-N 328.730 4.069 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587952314 OPYDASRTSZYXAX-UVWXRNBGSA-N 334.391 4.447 0 1 EIAF O=C(O)Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1 1857768781 BMZAIOBPROVOCB-UHFFFAOYSA-N 331.371 4.233 0 1 EIAF CCCCCC=CC=C[C@H](O)CC=CC=C[C@H](O)CCCC(=O)O 2356342949 GVBURXXHWSCJSI-OALUTQOASA-N 336.472 4.158 0 1 EIAF COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCC(C)C)cc3O[C@H]21 5962713 JGUCMKGSUDQQQC-FOIQADDNSA-N 342.391 4.045 0 1 EIAF CCCOc1cncc(-c2cccc(CNc3cccnc3N)c2)c1 11726157 CXPQVRUSZWCUDZ-UHFFFAOYSA-N 334.423 4.127 0 1 EIAF COC(=O)CCCCCCCCCC[C@@]1(OC)OC(=O)C(C)=C1C 13462765 ZRVVSWLHFQJMER-LJQANCHMSA-N 340.460 4.296 0 1 EIAF biogenic CCCCc1ccc(/C=C2\CN3[C@H]4CC[C@@H]3[C@@H](C(=O)OC)[C@@H]2C4)s1 13553731 YQQAIKWUGKLZAA-OPOJZPQXSA-N 345.508 4.130 0 1 EIAF CCCNc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961286 LGFCNIUZXZRXSB-UHFFFAOYSA-N 337.358 4.012 0 1 EIAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccccc1C(F)(F)F 26170759 VDHMGGVSPDHPCL-UHFFFAOYSA-N 340.349 4.380 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cccc3oc4ccccc4c13)C2 26937103 MBRGBUNUYUWPGA-YIONKMFJSA-N 335.403 4.368 0 1 EIAF C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)F 29554409 QDKAVLCMWMWTJI-OWSLCNJRSA-N 338.369 4.262 0 1 EIAF COC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 40414521 FKSOGOPNNZGNLB-UHFFFAOYSA-N 348.189 4.028 0 1 EIAF Nc1cc(N)c2nc(-c3ccccc3)c(Oc3ccc(F)cc3)nc2c1 40938718 MBKJCNYBKFBOEH-UHFFFAOYSA-N 346.365 4.393 0 1 EIAF CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1c[nH]c2ccccc12 49808517 IRUHNYMOYRXXQC-QFIPXVFZSA-N 343.430 4.452 0 1 EIAF Cc1ccc(Nc2nc(-c3ccccn3)nnc2-c2ccccc2)cn1 95565994 BHIHLGLSJLBVLJ-UHFFFAOYSA-N 340.390 4.048 0 1 EIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)OCCc1cccc(Cl)c1 117735168 LZJNATFYOSUYSA-MRXNPFEDSA-N 344.842 4.208 0 1 EIAF CCOC(=O)c1sc(-c2ccncc2)nc1Nc1ccccc1 169338431 JXELUNOJENGIHA-UHFFFAOYSA-N 325.393 4.125 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 169704928 ROOFFAWDIFZLQB-DZGCQCFKSA-N 338.386 4.160 0 1 EIAF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccccc1 299856414 BUXDTSRFPFRDFF-UHFFFAOYSA-N 337.404 4.158 0 1 EIAF CCc1oc2ccccc2c1-c1nc2nc(Br)c[nH]c-2n1 586903508 KZMSNWVIWOBNTF-UHFFFAOYSA-N 343.184 4.043 0 1 EIAF O=C1CCc2cc3nc(-c4csc5ccc(O)cc45)[nH]c3cc2N1 587031298 CSGKXVUTOIUUCJ-UHFFFAOYSA-N 335.388 4.035 0 1 EIAF CCOC(=O)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 587130194 GWOBLOCZKCUWSN-UHFFFAOYSA-N 332.306 4.008 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(F)cc3F)nc2c1 587147948 DIVZZBKNTGLFIH-HYXAFXHYSA-N 348.736 4.452 0 1 EIAF Fc1ccc(-c2nc3c(cnc4ccccc43)[nH]2)nc1Br 587155887 UTKGPCOOQXHRHM-UHFFFAOYSA-N 343.159 4.075 0 1 EIAF CSc1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 587238673 FPARTGUVORHETH-UHFFFAOYSA-N 325.437 4.083 0 1 EIAF Cc1c(Br)ccc2nc(/C=C\c3ccc(N)cc3)[nH]c12 587252320 XZSWRHTUTLCKKM-WTKPLQERSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc(Cl)c13)O2 587379142 GFSMBUSJIPYWNI-MRXNPFEDSA-N 326.783 4.418 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(F)cc4c1C)[C@@H](C2)C3=O 587429764 WSSUGZDRSVNBBH-XOBRGWDASA-N 337.350 4.113 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cn1)CC2=O 587462878 RDQACYJUEJUDMQ-SFHVURJKSA-N 331.799 4.274 0 1 EIAF CCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522945 JJNUWHNJOHSCEL-DYESRHJHSA-N 344.451 4.269 0 1 EIAF O=C1C[C@@H](c2ccc(-c3nnco3)cc2)Oc2c1ccc1c2CCCC1 587526529 QBCUPTCACNEOND-IBGZPJMESA-N 346.386 4.322 0 1 EIAF CC(C)C[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602367 JNKMAUUUQQLLPA-ZLXGRDSLSA-N 326.392 4.405 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 587787988 YNWOPTGYEIJHBN-CABCVRRESA-N 340.810 4.468 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccsc2)N1 587853005 KFNUMDMIRFBXAK-PSLIRLAXSA-N 340.261 4.447 0 1 EIAF C[C@@H](CN1CCCCCC1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875898 OSGIVVSEDKERHX-ZDUSSCGKSA-N 343.402 3.947 0 1 EIAF COc1ccc(-c2cnc3c(OC(C)C)snc3c2)cc1OC 653771343 SRDJIUFBPXBMLJ-UHFFFAOYSA-N 330.409 4.163 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]12COCc1cc(OC)ccc12 963230712 ACNGQMAGJQQJOE-AOMKIAJQSA-N 337.463 4.126 0 1 EIAF CCCC(=O)c1c(O)ccc2c1Oc1cccc(O)c1[C@@H]2C[C@H](C)O 2356834827 KEYSMLGWCOGLMJ-WCQYABFASA-N 342.391 4.089 0 1 EIAF COc1cccc([C@@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 61897056 XJSXUWPJPHYHRZ-GOSISDBHSA-N 347.386 4.353 0 3 EIAF CN(C)c1ccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cc1 61928264 VXABRGBREASEEK-KRWDZBQOSA-N 328.412 4.097 0 3 EIAF CCc1ccc(-c2nc(C)oc2-c2ccc(S(C)(=O)=O)cc2)s1 13436254 WIUABTISCPHZNT-UHFFFAOYSA-N 347.461 4.344 0 1 EIAF CCN1CCCC[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13453495 BFZDGZFJNVZFJP-LEWJYISDSA-N 337.463 4.178 0 1 EIAF COc1ccc2c(c1)CC[C@H](C1CCN(Cc3ccccc3)CC1)C2=O 13734336 XYGFUOFZJNRUOD-OAQYLSRUSA-N 349.474 4.353 0 1 EIAF COc1cc2c(cc1OCC=C(C)C)CCN=C2C(=O)c1ccccc1 27558093 MNBREVOTDSHUGS-UHFFFAOYSA-N 349.430 4.268 0 1 EIAF Clc1ccc2[nH]nc(NC3CCN(Cc4ccccc4)CC3)c2c1 28529541 FJMBKHDFFMUSOL-UHFFFAOYSA-N 340.858 4.293 0 1 EIAF C[C@@H](C(=O)O)n1cc(C2CC2)c(Cc2cccc3ccccc23)cc1=O 29046537 FNOTYTJUWFKVLD-AWEZNQCLSA-N 347.414 4.115 0 1 EIAF CCCN(CCC)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 29489712 RLPVYCPQZPZPTO-UHFFFAOYSA-N 332.469 4.114 0 1 EIAF CC(C)(C)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O 34821299 YJWIGZVFCPCRCG-UHFFFAOYSA-N 326.827 4.396 0 1 EIAF C[C@@H]1CCCN(CCCOCCCOc2ccc(Cl)cc2)C1 40916805 YKJVHLDFPGYUPD-MRXNPFEDSA-N 325.880 4.248 0 1 EIAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCN(C)C 72123250 WJRKINJUFPNAKE-LJQANCHMSA-N 327.859 4.357 0 1 EIAF Nc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1 103263960 XBGJISBWJWTPLH-UHFFFAOYSA-N 329.403 4.246 0 1 EIAF COc1ccc(CN2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1 114337710 CINLZTAGAYPKGA-LJQANCHMSA-N 347.462 4.320 0 1 EIAF CC(C)(C(=O)O)[C@H]1CC[C@@]23C=C[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)C3 238734210 VZEYWVSTCVDYGB-ALUGONPKSA-N 334.456 4.351 0 1 EIAF CN(C)c1cccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)c1 328577282 FTFGQJKAWBRVCG-UWWQBHOKSA-N 327.859 4.076 0 1 EIAF in-vitro COc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 473150216 LJHGHYGSORULJP-INIZCTEOSA-N 339.435 4.289 0 1 EIAF CN1CCN(c2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)CC1 586884215 RIGDKRWUBHTIIS-UHFFFAOYSA-N 346.478 4.249 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(Cl)c2[nH]1 586918365 XNADQQYQYXVIRN-BFUOFWGJSA-N 340.810 4.433 0 1 EIAF Cc1ccc(SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1 586963344 IJPAIORKKKXKPH-UHFFFAOYSA-N 330.384 4.309 0 1 EIAF COc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cn1 587011526 AEDKACQASWEWRZ-UHFFFAOYSA-N 336.420 4.374 0 1 EIAF OCCc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587075416 CXCOTJNIQBHVCY-UHFFFAOYSA-N 349.821 4.480 0 1 EIAF Cc1c(-c2cn[nH]c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097077 ORVITHVIMJFGBH-UHFFFAOYSA-N 325.371 4.453 0 1 EIAF Cc1nc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2cc1Br 587161618 OYSNNUDQIJWGLN-RYUDHWBXSA-N 346.203 4.439 0 1 EIAF O=C(Nc1cccc(-c2nc3cccc(O)c3[nH]2)c1)c1ccc(F)cc1 587164332 SLYFAMJSGHIGPZ-UHFFFAOYSA-N 347.349 4.327 0 1 EIAF CCOC(=O)Cc1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587174919 NXOIHCSOLCHJHZ-UHFFFAOYSA-N 338.338 4.221 0 1 EIAF Fc1ncc(Br)cc1-c1nc2cnc3ccccc3c2[nH]1 587178175 TWLINYALORWHEB-UHFFFAOYSA-N 343.159 4.075 0 1 EIAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc12 587250548 LOEVCNGTWUXFSY-UHFFFAOYSA-N 343.386 4.266 0 1 EIAF CCC(=O)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349512 CDRYKSLHQFEJTD-UYAOXDASSA-N 342.366 4.018 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccccc4F)cc3)nc2n1 587367924 APFLPEIFIBWYRS-UHFFFAOYSA-N 349.321 4.034 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)cc1C(F)(F)F)O2 587380330 DGLJZVZGNWEVEC-HNNXBMFYSA-N 337.297 4.008 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(C(C)C)CC2=O 587489995 NWFMMEWGJWCEBQ-FQEVSTJZSA-N 325.408 4.256 0 1 EIAF C[C@@H]1CC(C)(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587524765 MTVIYWFXCAMINX-LRTDBIEQSA-N 326.436 4.295 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2F 587567586 FCNIGXNKMSUFRE-GJYPPUQNSA-N 328.339 4.005 0 1 EIAF C[C@]1([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600682 BRSWVCSJJUYLIX-VVLLAEDJSA-N 348.398 4.325 0 1 EIAF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1Cl 587632933 OFUIFCQAMSYCOQ-UHFFFAOYSA-N 345.757 4.368 0 1 EIAF Cc1c(-c2cccc(Cl)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649342 IAPWFCIRAZZRJF-UHFFFAOYSA-N 337.803 4.339 0 1 EIAF CCCCC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813574 PDNNHCAFWFEDMC-HWPZZCPQSA-N 342.252 4.097 0 1 EIAF CC(C)C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587823795 RPBNJSKOJZOFGN-LWOUBBNUSA-N 326.253 4.384 0 1 EIAF C/C=C1\NNC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1CC 587920382 JBMAGMDLNARHJJ-PQMHYQBVSA-N 345.855 4.165 0 1 EIAF C[C@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)CC(=O)O 587963453 WTWYMVCYAJBYNE-SSDOTTSWSA-N 334.725 4.279 0 1 EIAF O=C(Nc1nc2cc(-c3ccccc3)ccn2n1)c1ccccc1Cl 1857560007 AOOZPTAOZBNFNC-UHFFFAOYSA-N 348.793 4.302 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 1857567077 QLZOSNWYWZNEJT-DSVUQQCSSA-N 330.468 4.452 0 1 EIAF O=C(/C=C/c1c[nH]c2ccccc12)N/C=C\c1c[nH]c2ccccc12 13387630 UEIGNTNIVBVSQQ-PVHUKWJHSA-N 327.387 4.450 0 1 EIAF Cc1ccc(Cl)c(Nc2ccccc2-c2n[nH]c(=O)n2C)c1Cl 13828143 BBBYZAMQCTWFEN-UHFFFAOYSA-N 349.221 4.134 0 1 EIAF CC(C)n1c(-c2ccc(Br)cc2)nc(=O)c2ccccc21 27646544 FJTFADABXKFQSS-UHFFFAOYSA-N 343.224 4.407 0 1 EIAF CC(C)(CO)CCCCOCCCC[C@@](C)(CO)c1ccccc1 28458167 WXYNGPNRDVNQNQ-NRFANRHFSA-N 336.516 4.312 0 1 EIAF O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)CCc2cc(O)ccc2-1 40957499 LYYBIGYCJYRMAG-UHFFFAOYSA-N 340.382 4.036 0 1 EIAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(F)c3)c2)on1 45245053 OCYSTMGTEUIMFQ-UHFFFAOYSA-N 341.338 4.236 0 1 EIAF CCOC1(OCC)[C@H]2c3cccc(C)c3[C@@H]([n+]3ccccc32)C1(C)C 100714985 SMKLVXUPVDRMKI-VQTJNVASSA-N 338.471 4.126 0 1 EIAF CCc1cccc(C)c1NC(=O)C(=O)CC(=O)c1ccc(Cl)s1 102980995 IREFLQCAAHMAHE-UHFFFAOYSA-N 349.839 4.053 0 1 EIAF CCNc1nc2cc(Cl)c(OC(F)(F)F)cc2nc1NCC 115764825 DHQSHDHBJBVWHK-UHFFFAOYSA-N 334.729 4.045 0 1 EIAF COc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)=NCC2 169314374 BHFKTNRWUVCUGF-UHFFFAOYSA-N 335.325 4.116 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1 586878465 DWUOJXVGWUMHDH-WAYWQWQTSA-N 334.709 4.363 0 1 EIAF Cc1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587043145 PFUKRMGSHOVZSK-CQSZACIVSA-N 343.839 4.180 0 1 EIAF FC(F)(F)CCc1ocnc1-c1nc2ccc3ncccc3c2[nH]1 587092133 MVDXYUKJCPXPFJ-UHFFFAOYSA-N 332.285 4.261 0 1 EIAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1 587245583 ZUVMAWSZJBGRMK-UHFFFAOYSA-N 329.359 4.188 0 1 EIAF C[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359447 YQJQDRKINOQXFQ-AZUAARDMSA-N 338.334 4.399 0 1 EIAF CCc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587396361 JRFKKMTWZPJCOP-IBGZPJMESA-N 347.418 4.236 0 1 EIAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587399800 MHAHCSWYNODBCH-LJQANCHMSA-N 325.408 4.381 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(O)c3n1)CC2=O 587490222 PJHHZDLOUANDDL-LJQANCHMSA-N 349.386 4.305 0 1 EIAF CC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521676 DBWGBGJHVICJKQ-IIBYNOLFSA-N 326.436 4.439 0 1 EIAF CCOC(=O)CC[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522344 HGWGLYGCEUQZDI-OAQYLSRUSA-N 342.435 4.023 0 1 EIAF COc1cc(C)ccc1OCc1nc2cccc(C(F)(F)F)c2[nH]1 587564416 QWBVFUWCQOWDEZ-UHFFFAOYSA-N 336.313 4.478 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587829321 QEHYWMJMQAOZHB-JDNHERCYSA-N 338.220 4.367 0 1 EIAF COC(=O)c1cc2nc(CC3CC3)[nH]c2c(F)c1Nc1ccccc1 587958659 DWAOEJDHARPHTG-UHFFFAOYSA-N 339.370 4.185 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3nccc(C)c23)N1 962938933 APTFSRADFPBVFP-ZUOKHONESA-N 330.435 4.366 0 1 EIAF CCOC(=O)C[C@@H]1CCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963126245 VTFJDZBAYXPQOK-GTNSWQLSSA-N 342.266 4.088 0 1 EIAF c1ccc2c(CN3CCC4(CC3)OCCc3sccc34)c[nH]c2c1 1857773355 AJRRIEHNUWKAGJ-UHFFFAOYSA-N 338.476 4.293 0 1 EIAF COc1ccc([C@H](O)c2nc(-c3cnc4ccccc4c3)cs2)cc1 61926451 IMBMGVAHWRJEIW-IBGZPJMESA-N 348.427 4.449 0 3 EIAF C/C(=C\Cc1cc(O)c(Br)cc1O)CCCC(C)(C)O 13430769 QOOBYOQJZDIWIK-IZZDOVSWSA-N 343.261 4.290 0 1 EIAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937773 JBFVCXODUHNOEN-ICSRJNTNSA-N 344.861 4.303 0 1 EIAF Cc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1 29126413 SMEDDRTWNSQIPY-UHFFFAOYSA-N 333.222 4.495 0 1 EIAF COc1ccc(-c2cccc(NC(=O)NC3CCCCC3)c2)cn1 84672290 KJCKJBYCIBAMQR-UHFFFAOYSA-N 325.412 4.211 0 1 EIAF COc1cccc(Nc2ncc(F)c(Nc3cccc(OC)c3)n2)c1 114324587 MOFAHEYAIBXIFZ-UHFFFAOYSA-N 340.358 4.120 0 1 EIAF CC1CCC(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1 115795241 LSMFQERSGNTVHF-MHWRWJLKSA-N 331.437 4.216 0 1 EIAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccncc3)nc2c1 144461692 WMBQLFTZMJRTJZ-UHFFFAOYSA-N 327.343 4.057 0 1 EIAF Cc1cc(/C=C/c2ccccc2)cc(C)c1OC[C@H](O)CNC(C)C 169318870 CLOFEWDUIYXVKS-RQWLHQTBSA-N 339.479 4.212 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586978966 DLLQHFOJCJVEDU-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Clc1nccc(-c2nc3cncc(Cl)c3[nH]2)c1Br 586979034 FNKABRXWUXFJIV-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Fc1c(F)c(F)c(/C=C/c2nc3c(Cl)ccnc3[nH]2)c(F)c1F 587132533 RZMXUULXOAOYHJ-OWOJBTEDSA-N 345.658 4.477 0 1 EIAF Oc1nccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164448 QWJBKUBLWHGNPA-RAXLEYEMSA-N 337.379 4.453 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 587164795 ANRJGBYEIZZASO-UHFFFAOYSA-N 346.409 4.493 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1c1ccc(F)cc1)O2 587386444 YSZPCGNFGZGHFT-JXFKEZNVSA-N 325.383 4.388 0 1 EIAF O=C1C[C@@H](c2c(Cl)ncnc2Cl)Oc2c1ccc1c2CCCC1 587496228 AHTRVSDCSOKWPY-ZDUSSCGKSA-N 349.217 4.369 0 1 EIAF O=C1C[C@@](c2ccccc2)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587535433 JWZHHWZAQOUDDI-WZONZLPQSA-N 348.442 4.463 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(F)(F)CC2 587558324 WLEASZBMUCIZDQ-HNNXBMFYSA-N 346.329 4.302 0 1 EIAF FC(F)(F)c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cn1 587780555 CISFXZVJRMVHES-QPJJXVBHSA-N 333.313 4.207 0 1 EIAF OCc1cc2c(s1)CC[C@@H](NCCCCc1ccccc1)CC2 1911582307 WJQPJAIEJNBGOE-SFHVURJKSA-N 329.509 4.100 0 1 EIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC(=O)O)CC[C@H]12 2356708399 OMIRDMKISVBCGX-ABMHPHGSSA-N 334.500 4.481 0 1 EIAF COc1c(C)cc([C@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1C 61908267 ZPNSHELTSLVFJD-KRWDZBQOSA-N 342.826 4.437 0 3 EIAF CC(C)(C)n1ncc(OCc2ccc3ccccc3c2)c(Cl)c1=O 20462 XJGDQVDELXLVOU-UHFFFAOYSA-N 342.826 4.384 0 1 EIAF CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(C)c1)C2=O 13779813 OATHQRZSVDHXRZ-UHFFFAOYSA-N 349.409 4.085 0 1 EIAF Cc1ccc2nc(Cl)cc(SCC(=O)NCc3ccco3)c2c1 20105216 ZMVQMZOVLKWZJL-UHFFFAOYSA-N 346.839 4.198 0 1 EIAF CCCCCOc1ncccc1[C@@H](O)CCCCCCC(=O)OC 28525770 BFHRRCYRDMEGBK-KRWDZBQOSA-N 337.460 4.198 0 1 EIAF CCNc1nc(NCC2CCCCC2)nc2cc(OC)c(OC)cc12 82132042 HDFCBRKEYVOCIK-UHFFFAOYSA-N 344.459 4.071 0 1 EIAF CC(=O)c1c(Nc2cccc(F)c2C)[nH]c2c(F)ccc(F)c2c1=O 84604468 SHGODUJEEVTQFR-UHFFFAOYSA-N 346.308 4.200 0 1 EIAF O=C(NC1CCCCC1)c1ccccc1OCc1ccc(Cl)nc1 103193347 SFMQVGLZFZDPTE-UHFFFAOYSA-N 344.842 4.377 0 1 EIAF Cc1nn(C)c(C(=S)NCc2ccc(C(C)(C)C)cc2)c1Cl 103196459 QMLLEMBDYUYVFO-UHFFFAOYSA-N 335.904 4.145 0 1 EIAF C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 120628426 NQIFHFSJVHGNMO-RMBRTBKZSA-N 332.528 4.245 0 1 EIAF Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)c1ccc(Cl)cc1 136070152 UJSARWRDYIRHJB-UHFFFAOYSA-N 347.201 4.012 0 1 EIAF CCCn1ccc2c(NCCc3ccccc3OC)cccc2c1=O 169329893 PTBISEGVNSLNQF-UHFFFAOYSA-N 336.435 4.075 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](c3ccc(F)cc3)C1)O2 587384314 JSNZPFJQPUCFQN-VLIAUNLRSA-N 325.383 4.388 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1N)CC2=O 587463140 USZDPVCJKNZKDN-QGZVFWFLSA-N 331.799 4.287 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(C)=O)cc1)CC2=O 587471863 WACBUTJTZVLHOK-IBGZPJMESA-N 339.391 4.010 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C(C)C)c1C)CC2=O 587475738 OKWBOTISAXPCJH-GOSISDBHSA-N 342.439 4.445 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C(C)C)c1C)CC2=O 587478974 XMBQUAIEWKMAQD-SFHVURJKSA-N 328.412 4.137 0 1 EIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)OC(C)(C)C1 587481987 NYPFACMNUFOXSF-UHFFFAOYSA-N 332.440 4.416 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C)nc1)CC2=O 587486872 MXJWUYXCDZZTDA-OAHLLOKOSA-N 325.408 4.015 0 1 EIAF C[C@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496936 CNQZNLGBGYDIOM-LJQANCHMSA-N 327.811 4.494 0 1 EIAF O=C1C[C@H](c2n[nH]c3ccc(F)cc23)Oc2c1ccc1c2CCCC1 587502311 BZSLAZVDGZHCRY-GOSISDBHSA-N 336.366 4.287 0 1 EIAF C[C@@]1(c2ccc3c[nH]nc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587525536 NTWIGZBHWPMYIP-NRFANRHFSA-N 332.403 4.322 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C2CC2)N1 587758489 XUZOLVZJPRXAJS-BMLIUANNSA-N 349.247 4.348 0 1 EIAF CCOc1ccccc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587779696 DKJBYSHJLJUFGD-UHFFFAOYSA-N 338.741 4.472 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(Cc3ccccc3C2)N1 587819625 WDOOBHNBAQJZIG-NSHDSACASA-N 346.243 4.117 0 1 EIAF CSc1nc(Cl)cc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587877014 XQGXUMRWTKNQJK-UHFFFAOYSA-N 334.763 3.949 0 1 EIAF CC[C@@]1(Cc2nc3cc4cn[nH]c4cc3[nH]2)CC(=O)c2ccccc2C1 587961243 QXDMQFKAHUOIIW-NRFANRHFSA-N 344.418 4.207 0 1 EIAF OCc1ccc(-c2cc3c(=Nc4ccccc4)nc[nH]c3s2)cc1 653686903 HMTNGGQPUKYRKI-UHFFFAOYSA-N 333.416 4.016 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC)CC(=O)C(F)(F)F 963230891 BIBXEKJJBANYDS-SUMWQHHRSA-N 327.390 4.470 0 1 EIAF Cc1cccc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 3955000 WMRUUYOOZLWLHY-OAHLLOKOSA-N 339.247 4.475 0 1 EIAF Oc1ccc([C@H]2CN(Cc3ccccc3)Cc3cc(O)ccc32)cc1 12353824 XAKRCNHCOCHVRY-JOCHJYFZSA-N 331.415 4.246 0 1 EIAF C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 15155387 PHKSUFCCGLWIMC-PEFDPPPMSA-N 332.440 4.048 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 26387880 WGPZAVZHAGYUOL-NTPVPYKGSA-N 331.500 4.055 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2C)N3C)cc1 36177303 SUEIJSZDTKIXCI-XWSHUIEDSA-N 349.474 4.475 0 1 EIAF COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1 59239339 PXFVGJGQPOCKCM-UHFFFAOYSA-N 335.407 4.403 0 1 EIAF Cc1cccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)c1 72182725 XDLDPKMWELHUTR-UHFFFAOYSA-N 330.391 4.144 0 1 EIAF Cc1nc2c(c(N(C)c3cccc(Br)c3)n1)C[C@@H](C)C2 96934246 RLAJJTQZDWIKNS-SNVBAGLBSA-N 332.245 4.050 0 1 EIAF c1ccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3)cc2)cc1 100101754 XJOWQXHWVGWHRE-UBRQYEGLSA-N 340.470 4.293 0 1 EIAF CCCCOc1cc2nnnc(Nc3ccccc3F)c2cc1OC 103295893 WOIDTYGMHARHQH-UHFFFAOYSA-N 342.374 4.095 0 1 EIAF O=C(Nc1ccc(CC[C@H]2CCCCN2)cc1)c1ccc(Cl)nc1 117720119 FRMVFMSEMIWFKB-MRXNPFEDSA-N 343.858 4.062 0 1 EIAF Clc1c(Br)cnc2[nH]c(-c3occ4c3CCC4)nc12 586905294 JKFKZFNUCFLQEB-UHFFFAOYSA-N 338.592 4.123 0 1 EIAF CC1(C)COc2c(-c3nc4ccnc(Br)c4[nH]3)cccc21 586911593 JDWBZNKZPNYVPK-UHFFFAOYSA-N 344.212 4.057 0 1 EIAF Cc1nn(-c2cccc(-c3nc4c(C)ccnc4[nH]3)c2)c(C)c1Cl 587064891 ISEUWUQQFUAVSJ-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF Fc1cc(Br)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 587090789 XSAMAGRMFPQMFD-MRVPVSSYSA-N 349.484 4.388 0 1 EIAF COc1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c1 587137740 JAZIAWKMTOAHQS-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF COc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150908 USIZDOZWAUGHOD-SFHVURJKSA-N 348.381 4.307 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(F)ccc(Cl)c31)O2 587387513 TVJCGCXPDFPVOM-GOSISDBHSA-N 331.774 4.177 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2SC[C@H]1C 587412851 CXPCFXMEEGJQPO-CWTRNNRKSA-N 325.433 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(Cc1cccc(Cl)c1)[C@@H](C2)C3=O 587417943 FVFKGTMWYQIZMA-HNAYVOBHSA-N 328.795 4.097 0 1 EIAF CCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439656 CALBVTKNQKYPHE-UTKZUKDTSA-N 338.403 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)ccc1C)CC2=O 587460373 ICFQFEZZCMRYQC-OAHLLOKOSA-N 331.799 4.408 0 1 EIAF CCCn1nc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587515657 NPJMIXLMGYQPSP-IBGZPJMESA-N 338.451 4.495 0 1 EIAF CCOC(=O)CC[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522343 HGWGLYGCEUQZDI-NRFANRHFSA-N 342.435 4.023 0 1 EIAF CCOc1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1C 587778120 JNMRSCHRGBUKOY-UHFFFAOYSA-N 332.201 4.095 0 1 EIAF O=C(O)C[C@H](c1cccc(-c2cccnc2Cl)c1)c1nccs1 1772657075 YCFLIYRBQOHABQ-CQSZACIVSA-N 344.823 4.465 0 1 EIAF O=C1Nc2ccccc2C1=Cc1ccc2c(-c3ccncc3)[nH]nc2c1 1857605650 WYSABIGTAYWKCL-UHFFFAOYSA-N 338.370 4.118 0 1 EIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(O)ccc21 1857618344 PCWGNTLTKOKAKU-UHFFFAOYSA-N 344.414 4.046 0 1 EIAF Nc1[nH]c2ccccc2c1C(=O)NCCc1ccc(Cl)cc1Cl 1857749662 QADKHVVSIUOHML-UHFFFAOYSA-N 348.233 4.029 0 1 EIAF Cc1cnccc1CN(C)Cc1cn(C)nc1-c1cccc(Cl)c1 59945974 RDHDTXRBAUHQAD-UHFFFAOYSA-N 340.858 4.076 0 3 EIAF C[C@]12CC[C@@H]3C4=CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CCC(=O)O1 26172801 YNPKYBDWUNXLBC-WQBVUOOHSA-N 326.436 4.124 0 1 EIAF CC(C)(O)[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26744305 OHSYBHSJIOQOHT-TVNWYLLRSA-N 339.435 4.155 0 1 EIAF NCc1[nH]c2c(ccc3cnc(/C=C/c4ccccc4)cc32)c1C(=O)O 45821223 QSUYYWWTHNUYJR-SOFGYWHQSA-N 343.386 4.043 0 1 EIAF Cc1ccsc1[C@H](O)c1nnc(Nc2c(C)cccc2C)s1 82078980 RMSVHYMUZHFCBD-ZDUSSCGKSA-N 331.466 4.350 0 1 EIAF CCCCCOc1ccccc1-c1cc(C(=O)NC2CCC2)no1 96913496 JZLUUJWAKUHZAL-UHFFFAOYSA-N 328.412 4.193 0 1 EIAF N=C(N)N1[C@@H](Sc2ccccc2)CC[C@H]1CCc1ccccc1 103262150 LLMUOICAETXIKH-AEFFLSMTSA-N 325.481 4.095 0 1 EIAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccccc1)[C@@H]2c1ccccc1 118762481 UUVSFNPIVJBHLF-ICSRJNTNSA-N 339.398 4.222 0 1 EIAF NC(=O)c1ccc2nc(-c3ccc(CC4CCCCC4)cc3)[nH]c2c1 137943416 WBCOFSJTMHDYSX-UHFFFAOYSA-N 333.435 4.452 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169323343 ZAZGULUMJMBMJD-OFRBEMTDSA-N 331.500 4.009 0 1 EIAF Cc1cc(OCCCN2C[C@H](C)C[C@@H](C)C2)nc(-c2ccccc2)n1 299831185 IYMJEFOSJKFKDF-IAGOWNOFSA-N 339.483 4.199 0 1 EIAF Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1F 586983371 BJOJDZLKPWGMAK-ZDUSSCGKSA-N 348.219 4.015 0 1 EIAF Clc1ccc(-c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)nn1 587086555 AACJDJFLURJUPU-UHFFFAOYSA-N 346.781 4.217 0 1 EIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 587166817 AHLWTOWOXHDTDI-INIZCTEOSA-N 342.349 4.210 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587244381 PEQRPGFLCPYKCE-UHFFFAOYSA-N 333.178 4.056 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4ccccc14)[C@@H](C2)C3=O 587423839 ZVUQBEZEDANLDO-KPZWWZAWSA-N 339.778 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCOc3ccccc31)CC2=O 587493730 VMTJCQZIFFDKLX-VBKZILBWSA-N 338.403 4.245 0 1 EIAF COC(=O)CCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523577 KKOJWHFTQWGDGZ-HNNXBMFYSA-N 330.424 4.023 0 1 EIAF Cc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607310 HUWLTRCLFABZAV-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF CS(=O)(=O)c1c(-c2cccc(F)c2)[nH]c2cc(Cl)c(F)cc12 587631031 VAKPPZSHZUHGAB-UHFFFAOYSA-N 341.766 4.170 0 1 EIAF Cc1nc(-c2cc3cc(OCC(C)C)ccc3[nH]2)sc1C(=O)O 653690540 WUMANDZFOLQBCH-UHFFFAOYSA-N 330.409 4.333 0 1 EIAF C=C(NOCC(F)(F)F)c1cccc(Br)c1Cl 957616458 FHQVKHOEMJNJHV-UHFFFAOYSA-N 330.531 4.157 0 1 EIAF Cc1noc(C)c1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 962998769 VVUXYTCAJZMIDT-IBGZPJMESA-N 339.464 4.070 0 1 EIAF CCCO[C@@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772656031 NXCXDWJNFKFGCO-QGZVFWFLSA-N 344.798 4.431 0 1 EIAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 2356307686 LLKXAWZFTUNUTQ-FLIUJYPFSA-N 336.516 4.379 0 1 EIAF CCCCCC=CC=C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@@H]1OC 2356563681 MERZFCDASXJJEF-CRAIPNDOSA-N 332.396 4.017 0 1 EIAF CC1=CCC[C@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@@H](C)CC[C@]12C(=O)O 14928247 PZNQZBUOZWQUJB-PQTDTLSBSA-N 332.440 4.113 0 1 EIAF biogenic c1ccc2c(c1)Oc1ncccc1[C@H]2SCCN1CCCCC1 25970140 GYMSBKPBWHXIRA-SFHVURJKSA-N 326.465 4.496 0 1 EIAF CN(C)[C@@H]1CCC[C@H]1N(C(=O)C1CC1)c1ccc(Cl)c(Cl)c1 28234607 SQHRPYZOIIVCLJ-HZPDHXFCSA-N 341.282 4.219 0 1 EIAF CC(=O)Oc1ccc(OC(C)=O)c2c1CC=C(CCC=C(C)C)C2 29545326 BFUHHJNCFLQWPT-UHFFFAOYSA-N 328.408 4.309 0 1 EIAF C/C(=C\CO)CC/C=C(\C)CNc1c(F)c(F)c(F)c(F)c1F 33917567 DZRDNEFLXJIGLO-TXFIJWAUSA-N 335.316 4.459 0 1 EIAF CN(C)c1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)ccn1 34280078 DAHQVISHGRGHSY-UHFFFAOYSA-N 332.382 4.268 0 1 EIAF O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 40914912 PVLFKBFVRJQYSA-UHFFFAOYSA-N 345.446 4.172 0 1 EIAF Cc1ccc2[nH]c(C[C@H](CC(=O)O)c3ccc(Cl)cc3)nc2c1 72116804 ORVSSCKYAQGGMG-CYBMUJFWSA-N 328.799 4.326 0 1 EIAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 82181511 XDNZNSKHSSTMRQ-GFCCVEGCSA-N 341.484 4.423 0 1 EIAF CN(c1ccc(Cl)cc1)c1ccc(Nc2nccc(N)n2)cc1 84616964 WVWFBDNEALDWKB-UHFFFAOYSA-N 325.803 4.224 0 1 EIAF NC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12 95597946 QUFJZDFJHPXUIV-UHFFFAOYSA-N 344.414 4.363 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 101812223 CSVCLUXIZUMABR-WKCHPHFGSA-N 349.474 4.161 0 1 EIAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 146639530 PEOQQGFVMCJWNI-MOPGFXCFSA-N 326.392 4.305 0 1 EIAF COC(=O)[C@]1(C)CCCC2=C1CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 169638605 OGGDWNYFVSIVRK-PUCZYUMASA-N 346.467 4.346 0 1 EIAF C[C@@]12CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1CCC=C2C(=O)O 238750319 HIDTYMFIVRETDY-UKSSEWCLSA-N 344.407 4.111 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@H]32)C1 255263323 RSFPISDAJMWREU-OQFBNPJHSA-N 343.511 4.079 0 1 EIAF CN(C)C(=O)c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1 299865949 UVSYNNQAYNBHMR-UHFFFAOYSA-N 346.430 4.072 0 1 EIAF COc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017510 MLMJITBRJMTZAF-UHFFFAOYSA-N 349.415 4.297 0 1 EIAF Oc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Cl)c1 587054048 KZTARIZYDKUTDK-UHFFFAOYSA-N 349.099 4.003 0 1 EIAF O=C1CCc2cc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3cc2N1 587109309 HIBUAGXHSDMCDN-UHFFFAOYSA-N 349.287 4.273 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587175324 BGUOLRNNWQCKAI-UHFFFAOYSA-N 332.112 4.273 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(C)C)cc1O)O2 587402463 XYZLMYWQZKJMKB-LJQANCHMSA-N 341.407 4.024 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3occ(C)c31)O2 587412066 LTAPZQQVRLADJC-HXUWFJFHSA-N 325.408 4.312 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)ccc1OC)[C@@H](C2)C3=O 587418014 GIXQZDCXZUUTME-LIRRHRJNSA-N 344.794 4.020 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cn1)(C(C)C)CC2=O 587473210 YMJZIWZCRBRUNP-FQEVSTJZSA-N 343.398 4.396 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccccc2)cs1 587653451 HLBKRZLARGGKJI-UHFFFAOYSA-N 339.807 4.163 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587938184 UIAUUVYQTATWFH-RNODOKPDSA-N 336.435 4.287 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3nn(C)c(C)c3c2)N1 962950746 SPVOGURVNHZWAU-QVKFZJNVSA-N 344.462 4.377 0 1 EIAF Nc1nccc(-c2c[nH]c3ncc(-c4cc5ccccc5o4)cc23)n1 1772579196 FAMCONSWGPBLET-UHFFFAOYSA-N 327.347 4.015 0 1 EIAF COc1ccc2nc3occc3c(OC)c2c1C=CC(C)(C)OC 2356420279 UXFOFGRXTPFDNH-UHFFFAOYSA-N 327.380 4.436 0 1 EIAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccccc2)=NO1 12477219 USDZOYSEBPSUQX-SFHVURJKSA-N 339.782 4.430 0 3 EIAF COc1ccc(NC(=O)c2cc(C(C)=O)n3ccccc23)cc1Cl 6914271 YOPXPOBPFQRDLW-UHFFFAOYSA-N 342.782 4.056 0 1 EIAF O=C(/C=C/c1ccc(O)cc1)NCCCCc1ccc(Cl)cc1 13799931 LMNLJDXAMKBAHO-MDWZMJQESA-N 329.827 4.198 0 1 EIAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccccc3)O2)cc1 28768170 CNTTWQOWWZEXEQ-MOPGFXCFSA-N 340.810 4.178 0 1 EIAF CC/C(=C\CCc1ccc2c(c1)OCO2)CCC(C(C)=O)C(C)=O 34075038 NXCITYVCKNFXGJ-OMCISZLKSA-N 330.424 4.259 0 1 EIAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CCCC(C)(C)[C@H]1C2 40403753 TXBJAQRFHBPTNC-QRWLVFNGSA-N 332.440 4.456 0 1 EIAF biogenic CCCCN(CCO)CCC(=O)c1ccc2c(Cl)cccc2c1 45355913 OUIINRNPKTUUEZ-UHFFFAOYSA-N 333.859 4.160 0 1 EIAF O[C@H](c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 49110854 UTBOGJNBLDGVIZ-HXUWFJFHSA-N 336.341 4.385 0 1 EIAF CCCC[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 103183719 YDWXBLOQLSPXQY-ZHALLVOQSA-N 347.890 4.122 0 1 EIAF c1cc(CCO[C@@H]2CCCC[C@@H]2N2CCOCC2)c2ccsc2c1 114824545 LOUMDQLKJNIXQB-RBUKOAKNSA-N 345.508 4.104 0 1 EIAF Cc1ccc(C(=O)NCC2CC2)cc1-c1ccc2c(c1)NC(=O)C2(C)C 117957612 YABIXDISXMVNBR-UHFFFAOYSA-N 348.446 4.032 0 1 EIAF CC(C)=CCc1c(O)cc2c(c1O)CC(O)=C(c1ccc(O)cc1)O2 238763351 ZTXOCUQPNOHEOH-UHFFFAOYSA-N 340.375 4.174 0 1 EIAF CCCC[C@@H]1[C@H](OC(=O)OC)CCC[C@]12CCCCN2C(=O)OC 253918671 YSENRDPXKUGFHX-IIDMSEBBSA-N 341.448 4.119 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586911877 MUJFUNAKWOVLNL-GZMMTYOYSA-N 349.303 4.285 0 1 EIAF COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1C 586982482 KXCXYZXJNFQSOS-UHFFFAOYSA-N 345.196 4.122 0 1 EIAF COc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006676 QFMCQTZBJVHOAJ-UHFFFAOYSA-N 342.196 4.254 0 1 EIAF OCCc1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052441 ABIRSMSUTPKXHG-UHFFFAOYSA-N 337.810 4.209 0 1 EIAF COC(=O)c1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587106131 ILJGQJSNMKPNET-UHFFFAOYSA-N 331.371 4.356 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Cl)c1O)O2 587375770 OSRRTZSPWWPOBL-AWEZNQCLSA-N 338.190 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)(C(F)F)O2 587381231 DEMGQAWEKLYLEL-LJQANCHMSA-N 331.362 4.179 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1ccccn1)O2 587386234 WZYOBVWTXJKFLM-OAQYLSRUSA-N 348.377 4.020 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1cccnc1)O2 587393967 CGXNBMOWMBEBAK-FQEVSTJZSA-N 346.386 4.471 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3cccs3)n1)O2 587413540 PECPFVJFHPDWCY-AWEZNQCLSA-N 342.445 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@@]2(C)O[C@H]12 587484614 HABKCTWPWKILHH-DFQSSKMNSA-N 330.424 4.026 0 1 EIAF CCn1cnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500392 OOKQFXGEBGHUAC-HNNXBMFYSA-N 330.815 4.142 0 1 EIAF CN(C)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587506284 OPYHAIRJWBUJKS-OAQYLSRUSA-N 335.447 4.334 0 1 EIAF CN(C)Cc1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530603 GCOGKPSUWCOAGJ-GOSISDBHSA-N 341.476 4.395 0 1 EIAF CCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656453 KTKFCQZTJILFTP-UHFFFAOYSA-N 342.345 4.172 0 1 EIAF Clc1ccc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)cc1 653895812 YVGHKHCPSIWJMU-UHFFFAOYSA-N 336.786 4.494 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CNC1CC1)c1ccccc1 963221862 BAKMGFDUZQNTBM-JPYJTQIMSA-N 334.507 4.339 0 1 EIAF COc1cc(NC(=O)C=Cc2ccccc2Cl)cc(OC)c1OC 1857621647 YHHCPMBLWUQTJZ-UHFFFAOYSA-N 347.798 4.018 0 1 EIAF CC=C1[C@H]2C[C@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 2356756220 JBSGCOASAIDQQP-YYKCRFIFSA-N 338.451 4.028 0 1 EIAF CC(C)c1ccc(NC(=O)[C@H]2Cc3c(-c4ccco4)ccnc3O2)cc1 61906027 VWJLWQJCCKHIND-LJQANCHMSA-N 348.402 4.407 0 3 EIAF CN(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O 13735565 FWGDADVNSIYRAD-UHFFFAOYSA-N 343.386 4.082 0 1 EIAF O=C(O)c1ccc(C(=O)c2ccc(C(=O)Cc3ccccc3)cc2)cc1 13740025 KKOGEWQCCNBORC-UHFFFAOYSA-N 344.366 4.041 0 1 EIAF O=C(O)c1cccc(-c2nn(Cc3ccccc3)c3ccccc23)c1 13864651 CPULOHPFZMGPTC-UHFFFAOYSA-N 328.371 4.450 0 1 EIAF O=C1Cc2c(n(Cc3ccccc3)c3ccccc23)-c2cnccc2N1 29053331 DFOQUEDJAQZZIV-UHFFFAOYSA-N 339.398 4.246 0 1 EIAF Cn1ccnc1Sc1cnc(C(C)(C)C)nc1-c1ccccc1O 29128165 QHZPALINMZDSAS-UHFFFAOYSA-N 340.452 4.031 0 1 EIAF CCN(CC)CCNc1c2ccccc2nc2sc(SC)nc12 29130988 VYVKXNTXZSKBEK-UHFFFAOYSA-N 346.525 4.320 0 1 EIAF Cc1ccc(-n2ccc3c(sc4nccc(NC5CC5)c43)c2=O)cc1 35284028 WMWQHLURBIIHPM-UHFFFAOYSA-N 347.443 4.483 0 1 EIAF CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1-c1ccccc1 45387510 HTAHRMBUUXSICO-UHFFFAOYSA-N 349.478 4.133 0 1 EIAF Nc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)-c1ccccc1C2 59111541 LREDHDABOIKCQR-UHFFFAOYSA-N 342.324 4.392 0 1 EIAF CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 63539789 JLTBOCSFMNSLFH-UHFFFAOYSA-N 328.803 4.407 0 1 EIAF O=C(Nc1ccccc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73257615 DQTWQNOOTFOMSH-UHFFFAOYSA-N 329.363 4.269 0 1 EIAF COc1ccc(/C=C(/C(=O)O)c2ccc3ccccc3c2)cc1OC 95588290 JEEIUUUYJJGNLS-WOJGMQOQSA-N 334.371 4.482 0 1 EIAF CCCC[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1 96910399 XDMYEWLAUKXMHY-UHFFFAOYSA-N 332.427 4.432 0 1 EIAF CC[C@@H](COc1ccccc1Cl)OC(=O)NCc1ccccc1 103192666 NIUNXXYMLCLITB-HNNXBMFYSA-N 333.815 4.424 0 1 EIAF O=C1[C@@H]([C@@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 103271880 HXWLZAJEWVRWDC-YADHBBJMSA-N 345.442 4.312 0 1 EIAF O=C(NCc1cccc(Cl)c1Cl)[C@H]1CCCc2ncsc21 220875259 ZTOQMMKQYQIRNO-JTQLQIEISA-N 341.263 4.186 0 1 EIAF Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)oc2c1[C@H](O)CCC2 586905583 URZIYWLQLKDAMB-ZCFIWIBFSA-N 340.276 4.057 0 1 EIAF CC(C)Oc1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060239 HIQXSFWIGCQHDW-UHFFFAOYSA-N 329.787 4.256 0 1 EIAF Clc1ccc(-c2cnccc2-c2nc3ncnc(Cl)c3[nH]2)cc1 587073903 NOPKTMFHDKBZOQ-UHFFFAOYSA-N 342.189 4.389 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2cc(Br)c(F)cc2[nH]1 587133849 DHGJLVDWNXLEIG-UHFFFAOYSA-N 343.102 4.115 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165033 JTNYJGPDUAUYEE-UHFFFAOYSA-N 336.395 4.382 0 1 EIAF COc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 587195589 GDDUQRXLDJFQSI-UHFFFAOYSA-N 344.418 4.173 0 1 EIAF c1ccc(CN2C[C@@H]3c4c(nc5cccc6c5c4CC6)CC[C@H]3C2)cc1 587212075 LACCIWLYEVAZMC-ICSRJNTNSA-N 340.470 4.495 0 1 EIAF Fc1ncc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587212121 DBAVUPAIUVFTDA-UHFFFAOYSA-N 329.172 4.297 0 1 EIAF COC(=O)c1sccc1O[C@H](C)c1cc2c3c(cccc3n1)CC2 587216720 KOEFQBYMIBLULS-LLVKDONJSA-N 339.416 4.322 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1OC(F)F)O2 587381233 DHDLIHILMWJNGH-CQSZACIVSA-N 337.297 4.024 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c4c(ccc13)CCC4)O2 587397557 WZWIXBBMTGPMST-LJQANCHMSA-N 332.403 4.254 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)c4ncccc14)[C@@H](C2)C3=O 587436388 PRLHDOUUKNNASV-KKSFZXQISA-N 331.371 4.041 0 1 EIAF C[C@@]1(c2ncccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500702 NNPJHTBCYPSGNO-IBGZPJMESA-N 327.811 4.494 0 1 EIAF NCc1ccc2c(c1)CC[C@]21NCCc2cc(-c3ccccc3)ccc21 962658678 DWQUGPCZADDZRG-DEOSSOPVSA-N 340.470 4.148 0 1 EIAF Cc1cc(-c2c(Cl)cncc2OC(F)(F)F)cc2c1NC(=O)C2 1857645561 BBGOPUNRXCQCNZ-UHFFFAOYSA-N 342.704 4.104 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 173977 SDLIPEORADMQOU-OFELHODLSA-N 326.436 4.002 0 1 EIAF CCC[C@@H](NC(=O)N1C(=O)C[C@@H]1Cc1ccccc1)c1ccccc1 13780475 YIOQEKBVHQVKHZ-RBUKOAKNSA-N 336.435 4.081 0 1 EIAF CC[C@H](C)C(=O)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12 13916764 SKGBQBGDMSTFHX-HNNXBMFYSA-N 348.446 4.109 0 1 EIAF C[C@@H]1CN(C[C@H](C)c2cccc(C(=O)c3ccccc3)c2)C[C@@H](C)O1 29412165 YIAPNVVBPJXYHD-RCCFBDPRSA-N 337.463 4.130 0 1 EIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(CC3CC3)C[C@H]2C1 36289110 SMDURVDNVKUIAT-FYYLOGMGSA-N 336.523 4.070 0 1 EIAF CC[C@H]1c2c(nc3c(c2N)CCCC3)Oc2c1c(=O)oc1ccccc21 96284183 RITQLPXGOBXXJX-NSHDSACASA-N 348.402 4.297 0 1 EIAF CC(C)Oc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016379 KULHOTHRPVHGMS-OAHLLOKOSA-N 329.425 4.325 0 1 EIAF COC(=O)/C=C(\C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098452 RUBGUSQESNBTRX-JLHYYAGUSA-N 343.382 4.331 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)ncc3[nH]2)c(N)cc1F 587135711 BJIKCJUDNNCXPP-UHFFFAOYSA-N 334.782 4.177 0 1 EIAF COc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c(F)c1 587148161 DBZNYBMAGJTPPX-UHFFFAOYSA-N 326.158 4.003 0 1 EIAF Fc1ccc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587168591 JAORIUPGOXHAKS-UHFFFAOYSA-N 326.249 4.180 0 1 EIAF Cc1ccc(NC2(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CCCC2)cc1 587237279 PZMULWZXDMWURS-SFHVURJKSA-N 349.438 4.476 0 1 EIAF Cc1ccc(S(=O)(=O)CCCC(=O)c2coc3ccccc23)cc1 587280931 IUWBZQCMMFBIKM-UHFFFAOYSA-N 342.416 4.178 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc3ccccc3s1)O2 587414877 PEPAIEQBFAKGRD-IBGZPJMESA-N 338.432 4.154 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O 587437536 GKMWXSGPJRCXBD-KSFYIVLOSA-N 345.398 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OC)CC2=O 587478868 KPHSZNNTHVXONP-HXUWFJFHSA-N 326.392 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)cc1)CC2=O 587484229 ZCWADBXRYDPXAZ-IBGZPJMESA-N 326.392 4.450 0 1 EIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587507237 VAJRGQOOGNMZTP-IBGZPJMESA-N 326.367 4.420 0 1 EIAF O=C1C[C@]2(CCCc3scnc32)Oc2c1ccc1c2CCCC1 587538030 MIFVBBZPISKNNE-IBGZPJMESA-N 325.433 4.219 0 1 EIAF Cc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623719 MOEMUFXSIAGUMC-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF Cc1cc(Cl)cc2c(S(C)(=O)=O)c(-c3ccc(F)cc3)[nH]c12 587624320 GSLBAEIFYQPOAD-UHFFFAOYSA-N 337.803 4.339 0 1 EIAF CC1(C)CC(=[N+]2CCCC2)C=CN1Cc1ccc(Br)cc1 1857537884 CLTDPOYNYAYKAV-UHFFFAOYSA-N 348.308 4.194 0 1 EIAF Cc1cnc(N(C)C(=O)CCCOc2ccc(Cl)c(C)c2)s1 1857601069 JHPQZXQCDSBGSL-UHFFFAOYSA-N 338.860 4.235 0 1 EIAF CCN(CC)CCOC(=O)[C@@H](CCc1ccccc1)c1ccccc1 1995414 RHQLGMFQMOJMSC-NRFANRHFSA-N 339.479 4.288 0 1 EIAF biogenic C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nnn[nH]1 13672529 JOZCMMCCPQJFBU-VIFPVBQESA-N 336.292 4.176 0 1 EIAF C[C@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@H]3CCC[C@@H](C)N3C)[C@@H]12 14439463 FMPNFDSPHNUFOS-RHAPAUEPSA-N 345.527 4.419 0 1 EIAF CCCCOc1ccc(NC(=N)NC)cc1OCc1ccccc1 28020708 KOAIWDOAMLUDKD-UHFFFAOYSA-N 327.428 4.011 0 1 EIAF CC(C)=CCOc1cc(Nc2nc(N)cc(Cl)n2)ccc1Cl 28568291 WXKWODADILIFBG-UHFFFAOYSA-N 339.226 4.454 0 1 EIAF Cc1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)cn1 28770871 GGTJBNJHUYSQLQ-UHFFFAOYSA-N 337.423 4.377 0 1 EIAF Cc1ccc(Cn2c(CCN)nc3cc(Cl)c(Cl)cc32)cc1 36474097 JGTAQNSYZNSPAJ-UHFFFAOYSA-N 334.250 4.201 0 1 EIAF Cc1cccc(NC(=O)c2cccnc2SCc2ccncc2)c1 38541977 PWCWMWJMHJDPHK-UHFFFAOYSA-N 335.432 4.330 0 1 EIAF CC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1 66112479 ACELOIHFAZENPN-UHFFFAOYSA-N 325.318 4.047 0 1 EIAF COc1ccccc1-c1cc(-c2c[nH]nc2-c2ccccn2)ccn1 72118795 IGVIQTXWIXJREX-UHFFFAOYSA-N 328.375 4.209 0 1 EIAF Cc1ccccc1-c1nc(Cn2cc(Cl)c(=O)c(Cl)c2)co1 72142426 DBQHOKDHCHDOFB-UHFFFAOYSA-N 335.190 4.167 0 1 EIAF Cc1c(C)n(C[C@@H](O)CSc2ccccc2O)c2ccccc12 84688137 FGXUPLBTGJHVGS-OAHLLOKOSA-N 327.449 4.117 0 1 EIAF CCCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103195002 CANQQIFDBLHZEX-UHFFFAOYSA-N 347.890 4.254 0 1 EIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4)C3)cc2N1 169704868 FXEKRZUWDWVCFU-IAGOWNOFSA-N 349.434 4.029 0 1 EIAF Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1Cl 299826170 ZIJLHBLUVCPLKJ-UHFFFAOYSA-N 345.874 4.360 0 1 EIAF Cc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586901419 HGLFHQSQLRJWRX-BLLLJJGKSA-N 343.224 4.203 0 1 EIAF Cc1c(Br)cnc2nc(-c3cc4c(s3)CCC4)[nH]c12 587034141 PKWJQRBYEFSKEO-UHFFFAOYSA-N 334.242 4.246 0 1 EIAF Cc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587071211 XKWWZYVSSJGZOQ-GFCCVEGCSA-N 334.250 4.463 0 1 EIAF Cc1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c(C)n1 587116145 PRZUYQSNGLHFRP-UHFFFAOYSA-N 343.312 4.204 0 1 EIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(F)cc2[nH]1 587174991 OGIVWADXNYIUCA-CYBMUJFWSA-N 346.768 4.218 0 1 EIAF COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C 587233010 HNHUFIQYEXUNKO-STQMWFEESA-N 345.443 4.041 0 1 EIAF CCc1ccc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587401316 WDWIVPWXKCTPLS-FQEVSTJZSA-N 325.408 4.029 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@@H]3CCCCO3)o1)O2 587407224 BCWMJLDFZWYJMX-YJBOKZPZSA-N 327.380 4.118 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)cc(F)c31)CC2=O 587469540 AEPBCVPKDCDNGE-HXUWFJFHSA-N 344.357 4.430 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c([nH]1)CCCC3)CC2=O 587479933 DICNRKGVDCFKGN-LJQANCHMSA-N 325.408 4.258 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C)cccn13)CC2=O 587488849 KQOWGXLYDBPNAY-GOSISDBHSA-N 336.391 4.007 0 1 EIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601541 SSSRKFMRLQQZAX-WIYYLYMNSA-N 348.354 4.104 0 1 EIAF Cc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613919 QCXQRXJEJJNRMU-QAPCUYQASA-N 338.384 4.465 0 1 EIAF CCOc1cc(-c2nc3cc(Br)c(C)nc3[nH]2)ccc1C 587778104 JEFJQDDLFVZLCP-UHFFFAOYSA-N 346.228 4.403 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1 587933194 VMJQAVALAVCVIY-UHFFFAOYSA-N 342.402 4.190 0 1 EIAF Oc1ccc(Br)c2ccc(Sc3ccccn3)nc12 653730844 JUDLGUDRICMCBW-UHFFFAOYSA-N 333.210 4.249 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(OC)c2c(c1)OCO2 963237155 HFVAKHLOQYWIHV-VBKZILBWSA-N 339.435 4.170 0 1 EIAF O=C(c1ccc(-c2c(F)cccc2F)o1)N1CCc2ccccc2C1 1857631628 LPTLGUHUIXKOFZ-UHFFFAOYSA-N 339.341 4.423 0 1 EIAF O=C(c1ccccc1)N(C(=O)c1ccccc1)c1onc2ccccc12 1857767244 GTGQMVPFOUCUFZ-UHFFFAOYSA-N 342.354 4.315 0 1 EIAF Cc1c(C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)oc2c(F)cccc12 12579031 OFWYXANEPLCAGV-UHFFFAOYSA-N 346.446 4.262 0 3 EIAF O=C(c1cc(O)ccc1O)c1ccccc1C(Cl)(Cl)Cl 1613566 WGFISCNZKUCWKZ-UHFFFAOYSA-N 331.582 4.156 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@]21CO1 4024552 OULYBQZTBUFJRZ-BCRJPVCJSA-N 344.495 4.461 0 1 EIAF biogenic CC(C)[C@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 28525216 KKTODIFGCZVQAE-GFCCVEGCSA-N 345.493 4.296 0 1 EIAF Oc1cc(O)cc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)c1 28566390 CFQDSYKTTMKZQB-UHFFFAOYSA-N 345.358 4.138 0 1 EIAF C[C@H](COC1C[C@@H]2CC[C@H](C1)N2C)Sc1ccc(Cl)cc1 29463424 IOIRIZAMLJCKNZ-SLHHOWHOSA-N 325.905 4.462 0 1 EIAF C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@H](C)C3)[C@@H]2CC/C(C)=C/CC1 40763138 YFOLGCJWYIGIKF-LAFPMDKFSA-N 331.500 4.343 0 1 EIAF C[C@@H]1[C@@H](NCc2coc(-c3ccc(O)cc3)n2)C[C@H]2C[C@@H]1C2(C)C 72184798 XTODPSLMGDNQAE-YENGBRFLSA-N 326.440 4.208 0 1 EIAF Oc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3ccccc3)CC1)C[C@H]2O 101376769 GUYOIYKANZNIKE-SFGWALBWSA-N 337.463 4.010 0 1 EIAF CCc1c(C)[nH]c(=O)c(Br)c1O[C@H]1C[C@@H](C)C[C@@H](C)C1 101667666 LOWDETPQOLYQGX-PEGIJTEDSA-N 342.277 4.212 0 1 EIAF CC1(C)Cc2c(ccc3ccccc23)C(CC(=O)N2CCCCC2)=N1 135857741 YFNXXHYCUSVVLA-UHFFFAOYSA-N 334.463 4.366 0 1 EIAF Cc1ccccc1Cc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 135902874 ISFJBHSDVVUDNM-UHFFFAOYSA-N 341.414 4.228 0 1 EIAF O=C(Nc1ccccn1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 167880211 SYGVCCCYDSMIAB-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF C[C@]12CC(C(=O)O)=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 299853846 QWJVQOLUSCVELW-YEZTZDHTSA-N 348.483 4.287 0 1 EIAF Fc1cc(F)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587007064 LJFMFPTXFXIPTB-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)ccnc2[nH]1 587027600 WHUOKYHNXGANSX-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 587058848 JVWHVUIRHBWZGW-JTQLQIEISA-N 341.629 4.161 0 1 EIAF CC(C)(C)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2n1 587069179 FLBBXLNCDIWLEY-ZDUSSCGKSA-N 342.874 4.194 0 1 EIAF C[C@H](c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1C(F)(F)F 587098163 RYNWLHVRGDLNGQ-ZETCQYMHSA-N 326.709 4.129 0 1 EIAF COc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126912 IMRWUGNROKOMBA-UHFFFAOYSA-N 348.284 4.013 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587194702 ACNNQQIYOJIHET-QMMMGPOBSA-N 337.320 4.337 0 1 EIAF CC(C)(C)OC(=O)N1CCC(c2cnc3cccc4c3c2CC4)CC1 587213623 YCTRNTINGOZELH-UHFFFAOYSA-N 338.451 4.448 0 1 EIAF COC(=O)Nc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587243314 JGEMBVJUDFKSPD-UHFFFAOYSA-N 337.166 4.110 0 1 EIAF NCc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587246863 XMLXAXLQQOZVKO-UHFFFAOYSA-N 336.620 4.105 0 1 EIAF CCN1c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@@H]1C 587396570 UJUFZVDAVRVOCO-RBZFPXEDSA-N 336.435 4.055 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCSc4ccccc41)[C@@H](C2)C3=O 587452395 MLKYSXUMEBKSHA-MGPUTAFESA-N 338.428 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccnc1Cl)CC2=O 587465661 JKUACYUGUYPTBC-AWEZNQCLSA-N 335.762 4.239 0 1 EIAF Cn1ncc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587517917 XBWZHBCNZRHGGO-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614951 VYCQKDBFRYDHHS-LPHOPBHVSA-N 338.384 4.465 0 1 EIAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)NCCc1ccccc1 587626101 DAYNMCHMJHVSEI-UHFFFAOYSA-N 326.827 4.411 0 1 EIAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cc1 587639143 WGNYARVUVRRAJI-UHFFFAOYSA-N 347.292 4.424 0 1 EIAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774574 WOXIEOYEGVCANX-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF COc1cccc(CCc2nc3cc(C)cc(Br)c3[nH]2)c1 587929951 AUPPLSNNWHDZEF-UHFFFAOYSA-N 345.240 4.428 0 1 EIAF COc1ccc2c(c1OC)[C@](C)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962633233 SXMKLOLMNXKLEA-BTYIYWSLSA-N 325.452 4.152 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)nc2Cl)N1 962961681 YACCTXVIABMPDI-APPDUMDISA-N 341.842 4.239 0 1 EIAF CCCn1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(C2CC2)n1 963112373 SIZLYIFSAJDBLF-UWJYYQICSA-N 339.458 4.420 0 1 EIAF COC(=O)c1cc2occc2n1CC(=O)c1ccc2ccccc2c1 1772582455 NIOSRMDUDNENAD-UHFFFAOYSA-N 333.343 4.057 0 1 EIAF CC(C)=CCC[C@@H]1C(=O)O[C@@H]2OC(=O)C3=CCC=C(C)CC[C@H]1[C@H]32 2356637967 MPYOEPDDVGSUJR-DOHHPOSVSA-N 330.424 4.078 0 1 EIAF COc1cc2c(cc1OC)-c1ccc3cc4c(cc3c1N(C)[CH]2)OCO4 2356864887 BHDOJIRIFREOGF-UHFFFAOYSA-N 348.378 4.212 0 1 EIAF CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1 3589086 ZOOAYZKCGLVUPH-UHFFFAOYSA-N 347.434 4.362 0 3 EIAF COc1ccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cc1OC 61896612 WMJUYPRAQIELDP-KRWDZBQOSA-N 345.395 4.048 0 3 EIAF CCCCN(CCCC)C(=O)/C(=C\[C@@H]1CCCN1)c1ccccc1 13529976 HBTSQQJNGHWRJH-BWHWTHMTSA-N 328.500 4.251 0 1 EIAF CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3C2)c1O 14819407 KLQQHVRUXGQDHL-AWEZNQCLSA-N 326.392 4.031 0 1 EIAF biogenic CC(=O)OC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1 15257200 HGIQTDGMLIBTAD-FQEVSTJZSA-N 337.375 4.063 0 1 EIAF biogenic COc1ccc2c(c1)[C@@]13CCC[C@H](C)[C@H]1[C@@H](C2)N(CC1CC1)CC3 26666919 CZJFUNHAAXPPCP-NZYDNVMFSA-N 325.496 4.410 0 1 EIAF Clc1cc2c(s1)CNC[C@H]2c1ccc(Br)cc1 38157530 QQKIRMSLWKTONS-NSHDSACASA-N 328.662 4.399 0 1 EIAF O=C(O)CCCCCc1ccc(OCc2ccccc2C(=O)O)cc1 39219675 IYAGXKKFTZCSQY-UHFFFAOYSA-N 342.391 4.151 0 1 EIAF C[C@H]1CCc2c(c3c(O)cc([C@H](C)CCCN(C)C)cc3oc2=O)C1 169344064 HGAPTSOENKTXDQ-UONOGXRCSA-N 343.467 4.069 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(CO)[C@@H]3CC[C@]12C 253635608 SHRUZOYPFWLBFR-OWQNAKTJSA-N 332.484 4.243 0 1 EIAF Cc1ccc(SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1 586965496 ZMLLGPSJIQCMBZ-UHFFFAOYSA-N 337.448 4.357 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)ncc2[nH]1 587027582 VXMQNVXOLQHIRA-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF c1ccc(C[C@@H]2N[C@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 587041984 RAGQLJRGRKLQSL-RBUKOAKNSA-N 349.503 4.388 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc12 587117975 YNLTWONAJFAOGG-UHFFFAOYSA-N 328.725 4.252 0 1 EIAF Cc1cc(F)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204587 KOYPDUXFEHLMAF-AWEZNQCLSA-N 349.450 4.492 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1)O2 587374630 ZKOIDVLQZYICLQ-QGZVFWFLSA-N 346.224 4.220 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@@H]1c1ccc(F)cc1)O2 587385083 RCSKKJIYYHOZRR-AKCHCHLHSA-N 325.383 4.244 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1Nc1ccccc1)[C@@H](C2)C3=O 587427387 CLAVGIRZCJAOBO-JLMWRMLUSA-N 349.430 4.236 0 1 EIAF Cc1ccc2c(c1)OC(=O)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532588 PIWPPGHYGFZQIS-JOCHJYFZSA-N 348.398 4.044 0 1 EIAF C[C@H](CCc1nc2cc(Cl)cc(Br)c2[nH]1)CC(=O)O 587960601 KZPTVLILJYCJSK-SSDOTTSWSA-N 345.624 4.022 0 1 EIAF CSc1ccc([C@@H]2c3cccc(Br)c3CCN2C)o1 963279018 DWSYXJYABLFPAP-HNNXBMFYSA-N 338.270 4.341 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@]1(CO)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356584293 ACTLTPVNNKNAFE-MEGFKASBSA-N 346.467 4.137 0 1 EIAF CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 13756293 OVURERDJMLXMHG-YBKKEEBTSA-N 330.468 4.450 0 1 EIAF CO[C@@]1(c2ccccc2)O[C@H]2OCC[C@@H]2[C@H]1c1ccc(Cl)cc1 34172210 UCARDUKNNKSRCJ-MKXGPGLRSA-N 330.811 4.316 0 1 EIAF CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]23CCC[C@]21C3 35050036 UQTDTFGCPOVWBK-CSXWMVMESA-N 342.479 4.450 0 1 EIAF O=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 35281248 RFDLOFIETSWQLZ-KRWDZBQOSA-N 339.439 4.023 0 1 EIAF Clc1cc2c(s1)CNC[C@@H]2c1ccc(Br)cc1 38157531 QQKIRMSLWKTONS-LLVKDONJSA-N 328.662 4.399 0 1 EIAF COc1ccc(C(=O)c2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)cc1 45202396 YDZVFYFBJPVAHP-UHFFFAOYSA-N 346.430 4.126 0 1 EIAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(F)ccc1n2CCF 73197249 JBNWMDKNZKFUEB-AWEZNQCLSA-N 334.410 4.038 0 1 EIAF c1cncc(CNc2cc(Oc3cccc4ccccc34)ncn2)c1 82068328 IEVQHYXOLZBVMI-UHFFFAOYSA-N 328.375 4.429 0 1 EIAF COc1ccc([C@@H](O)C(F)(F)C(=O)c2ccc3ccccc3c2)cc1 95581608 KLEHMYNPHDRQQT-GOSISDBHSA-N 342.341 4.400 0 1 EIAF C[C@H](O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 141432293 YNZAQRSPHOQQKX-HZSYQYIVSA-N 347.543 4.093 0 1 EIAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@]1(O)C2 238745512 ZCINKZJXUAGQKT-WBCYEJBOSA-N 334.456 4.332 0 1 EIAF Cc1cc(-c2nc3c(O)nccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586881597 WPJXEWOVTSTDGI-UHFFFAOYSA-N 345.358 4.004 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4cc(F)c(F)cc4[nH]3)oc12 586902606 AFHPSDCJDAKOSE-UHFFFAOYSA-N 328.274 4.075 0 1 EIAF CCc1ccc(-c2nc(-c3nc4cnc(Cl)[nH]c-4n3)cs2)cc1 587015888 WUFJSFICXZHYNO-UHFFFAOYSA-N 341.827 4.311 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(F)cnc(Cl)c2[nH]1 587026405 DEPQXMIRWRPZBG-UHFFFAOYSA-N 348.790 4.366 0 1 EIAF Clc1cccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)n[nH]2)c1 587067932 BKXYJYNDHMUXKP-UHFFFAOYSA-N 338.754 4.002 0 1 EIAF Cc1ccc2c3c(cc(-c4cc[nH]c(=N)c4)nc13)-c1ccccc1C2=O 587098236 OVVDRBUYJLIPGU-UHFFFAOYSA-N 337.382 4.229 0 1 EIAF Nc1c(F)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F 587135027 QDAAFLBWXVUDTD-UHFFFAOYSA-N 331.219 4.248 0 1 EIAF Fc1cc(F)c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1Br 587135683 AZHZBFKVEQLVEF-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCC[C@H](C(F)(F)F)C1)O2 587383537 SPPDLSCKPNASNF-ZIBATOQPSA-N 327.346 4.280 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3cccs3)oc1C)O2 587414246 SEZXPEMHPCIJML-AWEZNQCLSA-N 340.404 4.309 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O 587424696 SHGXDPZESPUIGH-ORAYPTAESA-N 346.785 4.459 0 1 EIAF CCO[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587522500 IHMOHEKCHPFEPA-RXVVDRJESA-N 326.436 4.249 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2F)N1 587737253 DLIOVRYUZSUHJQ-DDHOLCJHSA-N 330.216 4.230 0 1 EIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587768024 CEYMSHADDMTZTA-APPDUMDISA-N 349.247 4.089 0 1 EIAF Cc1ccccc1-c1ccc(Cc2nc3cccc(C(N)=O)c3[nH]2)cc1 587960056 VKGBBOCKBUZCBC-UHFFFAOYSA-N 341.414 4.228 0 1 EIAF CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2cc(Cl)ccc2CC1(C)C 962916199 JDGFNQGQVPMVHL-FQEVSTJZSA-N 343.902 4.169 0 1 EIAF Cc1cc(-c2c(NC(=O)CC(C)(C)C)nn3cccnc23)ccc1F 1857567301 PYEHYDKNUGOGSB-UHFFFAOYSA-N 340.402 4.219 0 1 EIAF OCc1ccc(-c2cnc3cnc(-c4cccc(Cl)c4)cn23)cc1 1857583487 NZQYYOLSSWRVDD-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF COc1oc(CC=C(C)CC=CC(C)=C[C@H](C)O)c(C)c(=O)c1C 2356646370 ZMSSBNLNFAIVPK-HNNXBMFYSA-N 332.440 4.027 0 1 EIAF CC(C)n1c(-c2ccccc2)nc(=O)c2cc(Br)ccc21 27638346 VGYQUMSGSMPDSI-UHFFFAOYSA-N 343.224 4.407 0 1 EIAF CCCCC[C@@]12C[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821468 RIIFUZISBGVLON-ZWKOTPCHSA-N 335.831 4.063 0 1 EIAF COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12 34986016 OPRKTEJKHGVKBY-UHFFFAOYSA-N 345.192 4.155 0 1 EIAF FC(F)(F)c1ccccc1CN(C1CCCC1)C1CCNCC1 36093140 XEPDVQDRLJLQLN-UHFFFAOYSA-N 326.406 4.202 0 1 EIAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2[nH]cnc2c1O 36474089 JKRNBJZHIMUSKU-UHFFFAOYSA-N 345.358 4.313 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42O3 40471893 JTVHQWNUCRXUJU-BHNPYSKESA-N 336.472 4.414 0 1 EIAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N(C)C2 40719088 NRQIOYJXOKSZCR-ZSGPHXLJSA-N 335.875 4.106 0 1 EIAF O=C1CCC(c2ccc(Cl)cc2)=NN1Cn1ccc2ccccc21 49807892 YZRBOFIYOGKJBO-UHFFFAOYSA-N 337.810 4.279 0 1 EIAF CC(C)N(C)C(=O)[C@H]1CCCc2c1c1cc(F)ccc1n2CCF 82149001 IBRITHGUQFANGS-AWEZNQCLSA-N 334.410 4.037 0 1 EIAF CN(C)CCCn1cc(CNCCCc2ccccc2)c2ccccc21 95595735 HQHRYULJZGZLDE-UHFFFAOYSA-N 349.522 4.315 0 1 EIAF Oc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3ccccc3)CC1)C[C@@H]2O 101376767 GUYOIYKANZNIKE-JLMWRMLUSA-N 337.463 4.010 0 1 EIAF CC(C)C[C@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OC(C)C 103168399 DKVUBQGFRYEYBH-DLENHJPASA-N 345.483 4.306 0 1 EIAF C[C@H]1CCc2c(c3c(O)cc([C@@H](C)CCCN(C)C)cc3oc2=O)C1 169344063 HGAPTSOENKTXDQ-KBPBESRZSA-N 343.467 4.069 0 1 EIAF O=Cc1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 198890456 VQSMKZNBVWSXRN-UHFFFAOYSA-N 344.292 4.318 0 1 EIAF COc1cc2nc(C)c(-c3ccc4nonc4c3)c(O)c2cc1Cl 299828688 RRKZPZVLOOTKOU-UHFFFAOYSA-N 341.754 4.114 0 1 EIAF C[C@@]12C[C@H]1CCc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991705 VUGFDLZRRMGACN-RKFFSXRUSA-N 327.383 4.376 0 1 EIAF Cc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Cl 587022431 YXHRTRYCUGZEIY-UHFFFAOYSA-N 329.816 4.049 0 1 EIAF COC(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345100 DVPSAJWYACGQTD-FXAWDEMLSA-N 344.382 4.074 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)Sc3sccc31)O2 587415995 ZVMJCHCCHZGQON-DYZYQPBXSA-N 331.462 4.384 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccccc4)n1)[C@@H](C2)C3=O 587448624 AAGAHCSDQXBOBF-LIRRHRJNSA-N 349.411 4.307 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O 587450243 IFKRBMDVKSOOPS-RNODOKPDSA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C(C)C)c1C)CC2=O 587478972 XMBQUAIEWKMAQD-GOSISDBHSA-N 328.412 4.137 0 1 EIAF O=C1C[C@H](c2cc(Br)c[nH]2)Oc2c1ccc1c2CCCC1 587499132 RJCBVBRBYDEJEO-MRXNPFEDSA-N 346.224 4.363 0 1 EIAF C[C@@]1(c2ccc3c(c2)CCN3)CC(=O)c2ccc3c(c2O1)CCCC3 587528437 ZNJDGOVXADHYCY-QFIPXVFZSA-N 333.431 4.414 0 1 EIAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587586851 KHVLCBBUBIIGNM-RXVVDRJESA-N 347.370 4.053 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C=O)N1 587818989 KHRFGSSVLRZONZ-BMLIUANNSA-N 348.215 4.024 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587962983 KZUUYOSVAUHLDU-ZBFHGGJFSA-N 334.419 4.300 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCCCC[C@@H](C(=O)O)C1)N(C(C)C)CC2 962089493 KASKVWXCHWWSAP-UTKZUKDTSA-N 345.483 4.212 0 1 EIAF Cc1c(F)ccc2c1[C@@]1(C[C@H](c3ccccc3)OC1(C)C)NCC2 962093334 PQXKOTZJKMJVPV-WIYYLYMNSA-N 325.427 4.415 0 1 EIAF CC(C)[C@H]1C[C@@]2(CCO1)c1ccsc1CCN2Cc1cccnc1 962990854 BYWPPBLSWRHYLN-QUCCMNQESA-N 342.508 4.232 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ncc(Cl)cc1C 963256190 BOLBDNNEEIABJT-QGZVFWFLSA-N 337.250 4.115 0 1 EIAF CCC=C[C@H](CC)CC=C[C@](O)(CC)C[C@H](CC)[C@@H](O)CC(=O)O 2356809226 AORDPECMLXDOLO-CGBFIWBNSA-N 340.504 4.318 0 1 EIAF N[C@H](Cc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 61925670 LTYPGCNIZXWPRQ-MRXNPFEDSA-N 347.447 4.072 0 3 EIAF Cn1c(NCc2ccccc2)nc2cnc(-c3cccc(F)c3)cc21 74387433 AWUPSOXXIZZFOG-UHFFFAOYSA-N 332.382 4.387 0 3 EIAF CN1C[C@@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c34)C[C@H]21 4632459 VCRAKEDGLIINLR-IFXJQAMLSA-N 347.487 4.225 0 1 EIAF biogenic Fc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580891 PDFIJAHZMMYQPR-UHFFFAOYSA-N 341.390 4.195 0 1 EIAF CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1 13759956 FBXLFDORXAEASX-UHFFFAOYSA-N 339.487 4.475 0 1 EIAF COc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1OC 35049752 ZPVJNZJCRDXUMZ-UHFFFAOYSA-N 337.379 4.204 0 1 EIAF COc1c([C@H]2COc3cc(O)ccc3C2)ccc2c1C=CC(C)(C)O2 59729500 CSEWDTXNCZLZIW-CQSZACIVSA-N 338.403 4.304 0 1 EIAF O=C(Cc1ccc(Cl)cc1Cl)c1cn(Cc2ccccc2)nn1 72126279 PUHFOSJGAZBWLU-UHFFFAOYSA-N 346.217 4.059 0 1 EIAF COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@H]2CC[C@@H]1O2 84604920 PSBDCZZMKYJTOI-ZBFHGGJFSA-N 326.417 4.293 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCCNC3)cc12 226076874 CQLIGLBBNRBZMC-CYBMUJFWSA-N 339.414 4.235 0 1 EIAF C[C@@H]1[C@@H]2O[C@H](c3ccoc3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C 238777584 RDTNPZGDEQSWNY-HLOCNWLPSA-N 328.408 4.034 0 1 EIAF COc1cc(-c2cc3cc(Cl)ccc3oc2=O)cc(OC)c1OC 299823676 SDBBVVODHGFLTG-UHFFFAOYSA-N 346.766 4.139 0 1 EIAF Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc(O)c3)[nH]2)cc1 299833936 PHJQPCSZIMNJGO-UHFFFAOYSA-N 347.349 4.356 0 1 EIAF COC(=O)c1cccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899493 YUADMXHIVRQKQP-UHFFFAOYSA-N 344.370 4.389 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CC[C@H]3C(=O)C1 586991921 XYJSQBVAGORCKN-MFKMUULPSA-N 341.366 4.086 0 1 EIAF Clc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 587079575 DQEVZPRFTVOSRA-QGZVFWFLSA-N 342.782 4.054 0 1 EIAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ncc[nH]c-2n1 587127784 ARUAYFWFMGIEEQ-UHFFFAOYSA-N 329.335 4.033 0 1 EIAF COc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Cl 587164323 RRZOILDKRJCQNZ-MRXNPFEDSA-N 333.794 4.015 0 1 EIAF Fc1ncc(Br)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587178181 UHWIEQOYTQZMPK-UHFFFAOYSA-N 346.203 4.405 0 1 EIAF O=C(O)Cc1c(-c2ccc3c(c2)CCC3)nc2cccc3c2c1CC3 587215955 XLEAXQXVXJZKKF-UHFFFAOYSA-N 329.399 4.116 0 1 EIAF Cc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1C 587232765 AQPFWVVAGFQOHT-UONOGXRCSA-N 329.444 4.341 0 1 EIAF Nc1ccc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)cc1 587251236 DCOPEYLTPFTROT-UTCJRWHESA-N 332.176 4.217 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1N)(C1CCCC1)O2 587389486 KTRVRIUSGZBECX-NRFANRHFSA-N 336.435 4.210 0 1 EIAF CC[C@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401113 QCCXUOVZRVTJEU-ORAYPTAESA-N 325.408 4.461 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3ccccc13)CC2=O 587481669 HGMIHQDHANHYFZ-KRWDZBQOSA-N 337.375 4.238 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC(C)C)([C@H]1CCCNC1)CC2=O 587484766 NPETTWOGLNCXFO-BTYIYWSLSA-N 345.483 4.094 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4c(Cl)ncnc4[nH]3)ccc2c1 587935237 RDZIIHQWNMNEBW-SNVBAGLBSA-N 338.798 4.320 0 1 EIAF COc1cncc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949417 FVFVHARDTGIXOB-UHFFFAOYSA-N 331.375 4.350 0 1 EIAF COC(=O)C(C)(C)CCn1c2cc(OC)ccc2c2ccnc(C)c21 1857599665 FMWZAPSTHKUJSK-UHFFFAOYSA-N 340.423 4.096 0 1 EIAF CC[C@@H](OC)[C@H](O)CC=CCC=CCCCCCCCC(=O)O 2356738275 HWFCXWBMBGDXGB-QZTJIDSGSA-N 326.477 4.480 0 1 EIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3cccs3)cs2)c1 61908380 DFPVJHOFZUBKJU-MRXNPFEDSA-N 344.461 4.106 0 3 EIAF CC(C)CCc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O 14169 IUEGEIDZUOYQCQ-UHFFFAOYSA-N 328.408 4.208 0 1 EIAF biogenic COc1ccc(OC)c(Nc2nc(C)nc3sc(C)c(C)c23)c1 223242 KWNKIMSZUOLRKO-UHFFFAOYSA-N 329.425 4.377 0 1 EIAF Cn1c2c(c3ccccc31)CN(CCCOc1ccc(F)cc1)CC2 13476827 JALBJZIGFXCLKJ-UHFFFAOYSA-N 338.426 4.145 0 1 EIAF CN(C)C1(c2ccc(Cl)cc2Cl)CCC2(CC1)OCCO2 27433759 BFRWIFCCPRLVRX-UHFFFAOYSA-N 330.255 4.067 0 1 EIAF Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)sc1C 28712616 UWWLOYVEIGMCBC-CYBMUJFWSA-N 342.848 4.331 0 1 EIAF CC(C)c1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccccc2F)cc1 28769770 AATKXXQGCCDEFN-SKTWIKFTSA-N 327.399 4.183 0 1 EIAF NC(=O)c1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1 28826398 FKWWWOZRPGLWKZ-UHFFFAOYSA-N 347.418 4.018 0 1 EIAF in-vitro FC(F)(F)[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCO1 28954282 WPHYHZVDKGJZCW-LLVKDONJSA-N 325.117 4.438 0 1 EIAF CCCN1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccccc1C3 29041764 NKKUZNDFNOKSJF-IBGZPJMESA-N 337.463 4.160 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)C(F)(F)F 29554394 KUAIWVAYBRZSER-XSLAGTTESA-N 340.385 4.486 0 1 EIAF CCC(=O)C(CCCCCCOc1ccc(C(=O)O)cc1)C(=O)CC 32138849 VHHRODREGIUTOU-UHFFFAOYSA-N 348.439 4.289 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801410 YUEVEZWXYBGVTF-XOLGQUSISA-N 345.527 4.301 0 1 EIAF C[C@H]1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1 45340226 VRZZJZNRDAOZGS-ZDUSSCGKSA-N 329.831 4.493 0 1 EIAF COc1cc(Cl)ccc1C(=S)Nc1cc(Cl)ccc1O 84739987 OMQSRKSXVPGQMI-UHFFFAOYSA-N 328.220 4.495 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(Cl)c2[nH]1 586964339 YGTZKMIPWAUKNQ-NSHDSACASA-N 334.832 4.264 0 1 EIAF Clc1ncc(Cl)c2[nH]c(-c3ccc(Br)o3)nc12 587007718 OEHHTNBHJBJSDS-UHFFFAOYSA-N 332.972 4.287 0 1 EIAF Cc1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c(C)n1 587018292 ZZDZBDZOWPNYTD-UHFFFAOYSA-N 341.827 4.414 0 1 EIAF O=C(O)c1cc(Br)cc2nc(/C=C\c3ccsc3)[nH]c12 587026019 QPUQZQNQOOWORU-UPHRSURJSA-N 349.209 4.256 0 1 EIAF N[C@H](Cc1cscn1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587028897 BAFPOVCQIYNRKP-OAHLLOKOSA-N 336.420 4.054 0 1 EIAF COc1ccc(-c2nc3cc(OC)c(F)cc3[nH]2)c(C(F)(F)F)c1 587098610 VAZYHSQTKULVGB-UHFFFAOYSA-N 340.276 4.405 0 1 EIAF COc1cc(OC)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152778 QNLRALFBJBMDHF-NWDGAFQWSA-N 330.334 4.129 0 1 EIAF Fc1cc(Br)cnc1-c1nc2cc(Cl)cc(F)c2[nH]1 587155838 UBGUYNCYTVBSPV-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587245106 XKPGEYGVCYTLOQ-UHFFFAOYSA-N 331.297 4.373 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(F)c(F)c1F)O2 587383041 XAUFFRWXENYOMG-KRWDZBQOSA-N 339.288 4.014 0 1 EIAF CCN1CCCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 587397484 AZEAXWMUVZYLLZ-FQEVSTJZSA-N 336.435 4.056 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1O)O2 587404137 OABKOEOBOZBQHH-QFIPXVFZSA-N 345.398 4.192 0 1 EIAF CC[C@]1(c2c(F)cccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424767 UMOAHHMLADNJCH-BLVKFPJESA-N 330.330 4.026 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N(C)C(C)C)[C@@H](C2)C3=O 587430888 WKIKCUFVXDHIFE-KKSFZXQISA-N 337.419 4.029 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(F)cc3[nH]1)CC2=O 587472632 SNSHAIYXKMMVJW-KRWDZBQOSA-N 340.354 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3c(F)cccc31)CC2=O 587472879 WILQFYASIRIZBK-FQEVSTJZSA-N 341.382 4.160 0 1 EIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C=O)c1O 587529799 DPNOROCKQUWDBV-LJQANCHMSA-N 336.387 4.098 0 1 EIAF Cc1cc(C)c2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 587653362 GHEXWWUFTRAFIG-UHFFFAOYSA-N 341.823 4.266 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccccc2)N1 587815196 KORQGWSUHXRWFB-QFYYESIMSA-N 348.215 4.046 0 1 EIAF C[C@H](Oc1ccccc1)[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963354650 XSALZAVUPKHPIB-SBUREZEXSA-N 345.442 4.249 0 1 EIAF C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(C)C2=O 1772645015 WFNNOZZRFPORKZ-ASSNKEHSSA-N 343.467 4.318 0 1 EIAF CCCCC[C@@H](O)C(=O)C[C@@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356630486 SQKPJSAFJDLBGU-QUCCMNQESA-N 346.467 4.373 0 1 EIAF COC(=O)C1=C(C)[C@H]2CCc3cc(C(C)(C)O)ccc3[C@@]2(C)CC1 2356766723 XYNIRRMXUOEHCW-UTKZUKDTSA-N 328.452 4.017 0 1 EIAF CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@@H](C)c1ccc(F)cc1 4215712 ISMQQUCCARCXSO-IFXJQAMLSA-N 334.435 4.366 0 1 EIAF CN(C)CCCN1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 13553535 FFVMPNLCXIWZLV-GOSISDBHSA-N 343.858 4.229 0 1 EIAF COc1ccc([C@H]2OC[C@@]3(COC(C)=O)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 13600951 WSCCZHJZVDZUSC-IQUZMVKNSA-N 344.451 4.164 0 1 EIAF C[C@@H]1CC[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 28816454 YXBCRJFFPSUINZ-IOASZLSFSA-N 327.877 4.072 0 1 EIAF O=C(c1ccccc1)N1N=C(c2ccccn2)C[C@H]1c1ccccc1 33981730 QRZCYSLLKFOTHW-FQEVSTJZSA-N 327.387 4.073 0 1 EIAF COc1ccc2c(c1)[C@@]13CC[C@@H](C)C[C@H]1[C@@H](C2)N(CC1CC1)CC3 40800893 QXUTYQGRNHORHX-OUWXYEHJSA-N 325.496 4.410 0 1 EIAF COc1cc(C(=O)c2cc3cc(Cl)ccc3[nH]2)cc(OC)c1OC 72107242 ONJKKHNZBHFPCS-UHFFFAOYSA-N 345.782 4.078 0 1 EIAF CO[C@@H]1C[C@H]2C[C@H](OC(c3ccccc3)c3ccccc3)C[C@H]1N2C 101147897 ODOVOZRQRRUTGF-PLACYPQZSA-N 337.463 4.043 0 1 EIAF O=C(/C=C/c1ccccc1)Oc1cc(CCc2ccccc2)oc(=O)c1 103277294 DCUDPHSXNPPAFV-WYMLVPIESA-N 346.382 4.044 0 1 EIAF COc1cc2nc(Cl)nc(N(C)c3ccc(C)cc3)c2cc1OC 141153866 PHOGMBASULGQSS-UHFFFAOYSA-N 343.814 4.377 0 1 EIAF O=C(Nc1cccnc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 167615720 KVBRDCPRWIMBAJ-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF N=c1ccn(CCCCn2ccc(=N)c3ccccc32)c2ccccc12 377551736 XPJPPLUQFSFUOG-UHFFFAOYSA-N 342.446 4.035 0 1 EIAF CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cccc21 586910742 AKELSHSLTMWQSJ-UHFFFAOYSA-N 336.391 4.061 0 1 EIAF CCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586987274 MINSBQMWABHIKL-UHFFFAOYSA-N 341.370 4.035 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2c(F)c(F)c(Cl)cc2[nH]1 587060386 LBOXHMLDTAEFAF-UHFFFAOYSA-N 342.132 4.400 0 1 EIAF Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127367 RKSXMMKDWSYYGK-UHFFFAOYSA-N 336.248 4.144 0 1 EIAF c1cc2c3c(c4c(nc3c1)CC[C@H](C1CCC3(CC1)OCCO3)C4)CC2 587215646 LACZMRQYULJDJE-KRWDZBQOSA-N 349.474 4.372 0 1 EIAF Cc1cncc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587246646 DSGPJUWJJSMNPQ-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(C)c1)O2 587383270 RUBTWADZXDDGIH-INIZCTEOSA-N 333.334 4.194 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)c(F)c1)CC2=O 587467907 UQGWFEOSBSRHNI-INIZCTEOSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cccc(F)c31)CC2=O 587471601 LLQNATDYGFZSSY-FQEVSTJZSA-N 342.366 4.127 0 1 EIAF CCOC(=O)[C@@H](C(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587522956 JLJQWYJHCICLAR-WIYYLYMNSA-N 344.451 4.125 0 1 EIAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529235 LYIKOBVJOHFEHZ-SRBBEKPSSA-N 340.463 4.086 0 1 EIAF CCN(C(=O)c1c(C)[nH]c2c(C(=O)O)cccc12)c1ccccc1C 587637644 FKNKNGLHYQKMMB-UHFFFAOYSA-N 336.391 4.150 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)Cl)N1 587708526 YQKCNBHTZNISOC-KSBSHMNSSA-N 342.586 4.169 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3cc(Br)ccn3)n1)O2 587872976 USYVMJPVUGPEKX-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3[C@H](C)Cc1ccccc1 963046047 ICOJAWPOCTTZMS-VFNWGFHPSA-N 332.447 4.309 0 1 EIAF c1ccc2c(Cc3nn4c(-c5ccoc5)nnc4s3)cccc2c1 1857755860 UCWRHGRLSGHYOO-UHFFFAOYSA-N 332.388 4.190 0 1 EIAF CS(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857757735 FKXDARRJLQDNOV-UHFFFAOYSA-N 336.416 4.360 0 1 EIAF Cc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1 14946563 AGGJJUDCDYBLHH-UHFFFAOYSA-N 341.411 4.023 0 1 EIAF CCc1c(C)sc2nc(SC)n(-c3ccc(OC)cc3)c(=O)c12 24458361 IUKONUSVAXVJIZ-UHFFFAOYSA-N 346.477 4.049 0 1 EIAF Cc1cccc2c([C@@H](O)[C@@H]3CCCCN3)cc(-c3ccccc3)nc12 27523799 VBGIETLZISGHRP-SIKLNZKXSA-N 332.447 4.386 0 1 EIAF COc1ccc(CO[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1 29206090 BIPGSFPDFZLUIK-MOPGFXCFSA-N 331.843 4.011 0 1 EIAF COc1ccc(-c2nc(SC)[nH]c2-c2ccc(OC)cc2)cc1 34077336 XJXSIQHSQFQXPU-UHFFFAOYSA-N 326.421 4.483 0 1 EIAF CCCC[C@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 36177365 VGUKOKATWNDEOI-ZPAWYTMASA-N 343.511 4.307 0 1 EIAF O=C(NCc1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1-2 40845717 IOVGHIKGJNQGOU-UHFFFAOYSA-N 347.801 4.481 0 1 EIAF COC(=O)c1cc2ccc3ccccc3n2c1C(=O)c1ccccc1 71294623 PURYNNQUOSGHHY-UHFFFAOYSA-N 329.355 4.110 0 1 EIAF CCCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 71317147 NPLRJTMVKJEMER-UHFFFAOYSA-N 335.812 4.332 0 1 EIAF Cc1ccsc1[C@@H](O)c1nnc(Nc2c(C)cccc2C)s1 82078978 RMSVHYMUZHFCBD-CYBMUJFWSA-N 331.466 4.350 0 1 EIAF CCCc1nc2c(NCc3cccs3)ncnc2n1C[C@@H](C)CC 82221717 IXMCNFFCTMGUTN-ZDUSSCGKSA-N 343.500 4.499 0 1 EIAF Cn1c(SCc2ccccc2F)nc2c3ccccc3nc-2c1O 100705226 KQFVCMSULDCHKT-UHFFFAOYSA-N 339.395 4.210 0 1 EIAF O=C(O)C[C@@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1 100879288 BFQWMOFSXCHUDB-LJQANCHMSA-N 349.434 4.196 0 1 EIAF Clc1ccc(N2CCN(CCc3cc4ccccc4o3)CC2)cc1 169350283 SOTOLGCHXNIWRF-UHFFFAOYSA-N 340.854 4.451 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24O3 253640255 JTVHQWNUCRXUJU-WTPAFRAOSA-N 336.472 4.414 0 1 EIAF CCCCC1CCC(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC1 390548286 JGKCICUOFRYIKI-UHFFFAOYSA-N 334.485 4.430 0 1 EIAF Cc1c(F)ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587078780 BCMPCYCINNXKHM-CQSZACIVSA-N 342.805 4.388 0 1 EIAF N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1cccc2ccccc12 587258699 IYZSXRHHALSHIG-AWEZNQCLSA-N 341.336 4.376 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(C(F)F)c1)CC2=O 587465571 IJEMXNUKSGIMNP-MRXNPFEDSA-N 333.334 4.384 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@@H](C)CCC)CC2=O 587486648 SHFBOUKCABQCCG-RNODOKPDSA-N 348.439 4.191 0 1 EIAF O=C1C[C@H](c2cnc(C(F)(F)F)nc2)Oc2c1ccc1c2CCCC1 587505895 IWWIFILZKAIUGP-OAHLLOKOSA-N 348.324 4.081 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2C1CC1 587604443 TXKJMGKYEGLFKF-YWMUFLPLSA-N 336.387 4.303 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc32)N1 587818958 SZCNRGNOKGUMIV-VOJFVSQTSA-N 346.243 4.312 0 1 EIAF CC[C@]1(CSC)N[C@H](C)Cc2ccc(F)c(Br)c21 587845530 NDNJFXSYIQAYQI-YMTOWFKASA-N 332.282 4.091 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCSCC2)N1 587857722 MUOKYOJRKODQDV-PSLIRLAXSA-N 344.293 4.307 0 1 EIAF CCC(=O)[C@]1(CC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640606 MEFOIYYDAWMFRN-REWPJTCUSA-N 348.490 4.018 0 1 EIAF O=C(O)[C@H]1CCCCC[C@@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963103593 FXWYYFAVHNSETJ-GTNSWQLSSA-N 342.266 4.389 0 1 EIAF Fc1cccc2c1[C@@H](c1cccn1-c1cccnc1)N1CCC[C@@H]1C2 963114573 VTBCJHWSBGTIIA-IIBYNOLFSA-N 333.410 4.121 0 1 EIAF Clc1nc2ccc(-c3ccccc3)cc2c(=NCc2ccccn2)[nH]1 1857550698 BAZWAUMQCXVPIP-UHFFFAOYSA-N 346.821 4.379 0 1 EIAF COC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 2356321193 VBAOKHVYDOQJSK-VUVPGJBGSA-N 348.527 4.222 0 1 EIAF CCCCN(C(=O)CCC(C)C)[C@@H](CC)C(=O)NC1CCCCC1 2356857609 SKTZFCRNZMJIPZ-SFHVURJKSA-N 338.536 4.279 0 1 EIAF CCCCC[C@H](O)C1=C[C@@H]2c3c(ccc(O)c3C=O)C[C@@H]2C(C)(C)O1 13373571 JGWMXJGHFYUWFO-ZVZYQTTQSA-N 344.451 4.095 0 1 EIAF biogenic O=C(O)CCC[C@@H](O)CCc1ccc(CCCc2ccccc2)s1 13726592 RLSZDHZPOWKHTN-QGZVFWFLSA-N 346.492 4.472 0 1 EIAF O=C1c2ccc(F)cc2CC[C@H]1C1CCN(Cc2ccccc2)CC1 13734309 PUCXFSMSFDBYFD-FQEVSTJZSA-N 337.438 4.483 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@@]2(C)[C@@H]1C 14452954 PXMQEUQSUMAFIZ-CQNRTFJUSA-N 330.424 4.257 0 1 EIAF biogenic O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1nccs1 28712603 DKAOMRCHWZCVNF-LLVKDONJSA-N 331.249 4.229 0 1 EIAF CSc1ccc(CC(Cc2ccc(SC)cc2)NC=O)cc1 49808606 AOHIFHMTRIPJAS-UHFFFAOYSA-N 331.506 4.030 0 1 EIAF COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2cnccc12 64245805 ZTOKFELFUNZUEO-UHFFFAOYSA-N 342.786 4.244 0 1 EIAF CCOC(=O)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1 66073614 LWSFOZQZLISMFL-UHFFFAOYSA-N 332.743 4.107 0 1 EIAF CCCC[C@@]12C[C@@]1(C(=O)CC1CC1)C(=O)Nc1ccc(Cl)cc12 101059570 GLRSTYUPPYHLCG-RBUKOAKNSA-N 331.843 4.479 0 1 EIAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21 143338542 XALMKMTYEDCCFB-CYBMUJFWSA-N 329.115 4.228 0 1 EIAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(O)cc3)nc2c1 144445319 LHVYPAAVHMQJBU-UHFFFAOYSA-N 342.354 4.368 0 1 EIAF COc1cc2nc(C)c(-c3ccc(CO)cc3)c(O)c2cc1Cl 299826038 YGGQZMNNGHCYBF-UHFFFAOYSA-N 329.783 4.070 0 1 EIAF COc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Cl 586882129 KMYYBXHQBOOXTE-VOTSOKGWSA-N 328.755 4.094 0 1 EIAF Clc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587039766 FQZZLAWGFLVAQG-GJZGRUSLSA-N 329.856 4.163 0 1 EIAF COc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2n1 587083247 KRYCZQLLMZJZBZ-UHFFFAOYSA-N 345.189 4.489 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418541 JAGGKZYRSDBWBV-YVEFUNNKSA-N 335.186 4.491 0 1 EIAF COc1cc2c3c(c1)O[C@@H](C1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587418770 ASOIKPSDMKZKTK-KKWBFSAZSA-N 340.341 4.180 0 1 EIAF O=C1C[C@H](c2ccc(N3CCCC3)o2)Oc2c1ccc1c2CCCC1 587513161 IDDDVSVBKSSUNW-LJQANCHMSA-N 337.419 4.465 0 1 EIAF O=C(Cc1ccccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587874176 RJEMWHUDYTYQGF-UHFFFAOYSA-N 328.730 4.331 0 1 EIAF CCCC/C=C\c1nc2cccc(I)c2[nH]1 587966950 ZRMXJBOHWYCVMX-UITAMQMPSA-N 326.181 4.371 0 1 EIAF CCC(CC)C[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962713215 TYVNJQJRIYQVPI-LSDHHAIUSA-N 347.352 4.311 0 1 EIAF Cc1ccc2c(c1)C(c1ccc(F)cc1)=Nc1c(N)ncnc1S2 1772609618 WPQLHFHGKLLDDB-UHFFFAOYSA-N 336.395 4.140 0 1 EIAF CC(C)(C)C(=O)C[C@]1(O)Oc2ccccc2N=C1C=C(O)C(C)(C)C 1857624494 CGQTWEVSBYOEHG-FQEVSTJZSA-N 345.439 4.333 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 2356650799 RLPBERFZDPPHHB-UMWWKMARSA-N 346.511 4.142 0 1 EIAF Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1C 263590801 QQOWVOKPCJXEMW-LULLPPNCSA-N 328.456 4.115 0 3 EIAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@H](c2ccccc2)O1 11687527 RFTRIPDMNMTLEZ-UXHICEINSA-N 337.423 4.024 0 1 EIAF CC(C)(C)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1 27324448 DUCUPTYZXPVSEB-FQEVSTJZSA-N 342.527 4.004 0 1 EIAF CC(C)S(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1 38208544 QOIHZTWJPUIHKH-UHFFFAOYSA-N 348.512 4.217 0 1 EIAF Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(Cl)c3)sc2n1 70454752 AFSCHWFNLCBXCW-UHFFFAOYSA-N 345.855 4.079 0 1 EIAF COc1ccccc1CCNc1cc(-c2cccc(C(C)=O)c2)ncn1 82162017 RDCSZMYIWBQQBL-UHFFFAOYSA-N 347.418 4.009 0 1 EIAF CCc1ccc(-c2cc(NCc3cccc(OC)c3OC)ncn2)cc1 82162303 TVPYOZAFJZGYHJ-UHFFFAOYSA-N 349.434 4.335 0 1 EIAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccccc3)s1)O2 84602286 DGHBKKBHNLJPGA-OIPACUDHSA-N 328.433 4.239 0 1 EIAF C/C(=C\COC(=O)/C=C/c1ccccc1)COC(=O)c1ccccc1 84714313 UDRKLFFABVBHGI-MIFVOYFBSA-N 336.387 4.046 0 1 EIAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccccc3)C2)cc1C 95578461 LRGKBNQGXSOHEP-GOSISDBHSA-N 349.459 4.084 0 1 EIAF COc1ccc(C2=CCCCc3c2ccc(OC)c3OC)cc1OC 103291462 FPVHOUWURSFHIK-UHFFFAOYSA-N 340.419 4.489 0 1 EIAF O=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2 201382242 LATYFBCANWEEBS-IBGZPJMESA-N 340.398 4.135 0 1 EIAF O[C@@H]1C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 586902446 KVXHFSXZTDSLHO-BXUZGUMPSA-N 347.187 4.034 0 1 EIAF Cc1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)oc2c1[C@H](O)CCC2 586905135 HJAZQVBKYPSKLS-MRVPVSSYSA-N 338.194 4.203 0 1 EIAF COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1C 587027057 NTFHHUKLNZFOBC-UHFFFAOYSA-N 339.420 4.496 0 1 EIAF Cc1cnc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587075541 DRRZSLQIXLSSJU-LBPRGKRZSA-N 347.205 4.190 0 1 EIAF FC(F)(F)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cn1 587084964 VQBWXMABQMHECX-UHFFFAOYSA-N 338.720 4.105 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccnc(Br)c3[nH]2)c1 587160583 DOLONMVNHPWAMK-QWRGUYRKSA-N 332.176 4.131 0 1 EIAF Oc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195248 CQYPTRQDXZTKSB-UHFFFAOYSA-N 329.403 4.475 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(CCOC1)C3 587209157 LHTMVGBDGOTBBO-QHCPKHFHSA-N 341.410 4.342 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C3CCCC3)C1)CC2=O 587475965 RONSYMMULOAGGS-OAQYLSRUSA-N 343.467 4.087 0 1 EIAF CCO[C@H](C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516840 FJRZRUPTWDSDAK-BFUOFWGJSA-N 340.423 4.023 0 1 EIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Sc1ccccc12 587537595 ILGPAZXIRXZTAH-FQEVSTJZSA-N 336.412 4.058 0 1 EIAF CC1=CCCC(C)(C)[C@H]1/C=C(/C)c1ccc2c(O)nc(O)nc2n1 587561587 RVAUDBKADFRAQO-HCYCVZQXSA-N 325.412 4.222 0 1 EIAF Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611749 TXTKTGSAAKCWMV-RXVVDRJESA-N 348.354 4.109 0 1 EIAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12 653711544 QSZJTZCAUSDFGT-NRFANRHFSA-N 341.414 4.069 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cc(Cl)co1 962400251 TVJRSOKEWCXFNC-QGZVFWFLSA-N 332.856 4.481 0 1 EIAF Cc1sc2c(c1C)CCN[C@@]2(C)c1nc(Cl)ccc1Cl 963015563 BTZJGVDSFKPECD-HNNXBMFYSA-N 327.280 4.476 0 1 EIAF CC[C@@]1(CCCCCC(=O)O)c2c(F)cccc2C[C@H]2CCCN21 963097526 FSIZUHNPAOGNGV-OXQOHEQNSA-N 333.447 4.487 0 1 EIAF Cc1ccc2c(c1)NC(c1cccnc1)=NC(c1ccc(F)cc1)=N2 6743546 IEJNPBUSRISMJS-UHFFFAOYSA-N 330.366 4.480 0 1 EIAF Cc1ccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(F)c2)cc1 13490876 RFLDKZIVRVSDAK-MRXNPFEDSA-N 327.321 4.064 0 1 EIAF C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(-c2ccccc2)cc1)C(C)(C)C 13806409 PHRICUKYINNFSR-ADOVZYLFSA-N 348.446 4.208 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13809110 IAPLTZHXXFXFMM-PVHGPHFFSA-N 328.452 4.479 0 1 EIAF CCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712030 KBTVUXWBRNQXPI-UHFFFAOYSA-N 336.520 4.241 0 1 EIAF in-vivo Brc1ccccc1Nc1nc2ccccc2n2ccnc12 28769243 SXQZAURNDPEPAZ-UHFFFAOYSA-N 339.196 4.389 0 1 EIAF O=C(CCc1ccccc1)[C@H]1Cc2c(ccc3ccccc23)OC1=O 72171009 STOIDMBXFUNARG-LJQANCHMSA-N 330.383 4.119 0 1 EIAF Cc1c(C)n(C[C@H](O)CSc2ccc(O)cc2)c2ccccc12 84688134 RIWCEXVWXXPKPD-INIZCTEOSA-N 327.449 4.117 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]12C 100824314 QSXNOUPYXMWUKT-NJACGOLASA-N 332.440 4.108 0 1 EIAF endogenous,in-man CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(C)=O)cc3[nH]2)s1 587014570 NHMHDCKZCINDLZ-LLVKDONJSA-N 329.425 4.295 0 1 EIAF Cc1ncsc1CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587028640 XZTXCWSGQLWDOI-UHFFFAOYSA-N 347.443 4.344 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587041870 HELJSQFKVLRAQE-HNNXBMFYSA-N 345.512 4.481 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 587113523 MLCLOGKVBUTARF-QMMMGPOBSA-N 340.736 4.371 0 1 EIAF CCSC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209921 XDFDVERATFLOQX-UHFFFAOYSA-N 333.412 4.268 0 1 EIAF Cc1nn2c3ccccc3n(C)c2c1-c1cc2c3c(cccc3n1)CC2 587213691 ZAGACFSZFLHVJY-UHFFFAOYSA-N 338.414 4.448 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(Cl)c1Cl)O2 587374166 HFQPOLXTYKSYTI-ZDUSSCGKSA-N 338.190 4.296 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-n3nc(C)cc3C)c1)O2 587389414 ASBYLJHHEWDKKL-HXUWFJFHSA-N 347.418 4.086 0 1 EIAF CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398690 GKDVUTNNSBAHEE-SFHVURJKSA-N 341.407 4.081 0 1 EIAF COc1ccc([C@@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403421 LYHODLFBLWTDDP-OAQYLSRUSA-N 339.435 4.493 0 1 EIAF CCOc1ccc(Cl)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417590 CKXWKFPQQKIRGQ-AUUYWEPGSA-N 344.794 4.236 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4C[C@@H]1C)[C@@H](C2)C3=O 587419471 FJBJNCKULWHURY-HEBDSEGYSA-N 340.806 4.184 0 1 EIAF C[C@H]([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C 587601125 DXADPGAEHUVIMY-GFJSAUFNSA-N 326.392 4.405 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccco2)N1 587828223 MYGOOQWHQQEUML-QJNXFATRSA-N 336.204 4.470 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874201 XAXFASBVJWRMGE-SNVBAGLBSA-N 342.301 4.042 0 1 EIAF Cc1cc2c(cc1F)[C@@]1(CCOc3c(Cl)ccc(C)c31)NCC2 962297822 LHSQQFIZLISJCY-LJQANCHMSA-N 331.818 4.268 0 1 EIAF C[C@@]1(c2ccc(O)cc2F)NCCc2c(Cl)cc(Cl)cc21 963106735 LDHFYGOEAADADL-INIZCTEOSA-N 326.198 4.247 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CNC1CC1)c1ccccc1 963221861 BAKMGFDUZQNTBM-FDDCHVKYSA-N 334.507 4.339 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C(C)(C)c1ccccc1 963641865 YALPQGVQFKQVGI-JLTOFOAXSA-N 325.452 4.257 0 1 EIAF O=C(O)CCc1nccn1CCC=C(c1ccccc1)c1ccccc1 1772616574 WSJGZFXBIMCADT-UHFFFAOYSA-N 346.430 4.422 0 1 EIAF COc1cccc2cc3c(cc12)C(=O)N(c1ccccc1Cl)C3=O 1857550470 NLLBNZMYCPCJLP-UHFFFAOYSA-N 337.762 4.302 0 1 EIAF Clc1cc(NCC2CC2)c2ncc(-c3ccc4[nH]ccc4c3)n2n1 1857576148 DEPZFEDACDOJII-UHFFFAOYSA-N 337.814 4.353 0 1 EIAF N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1C=CC=C[C@@H]1[C@H](N)C[C@@H]2CCCC[C@H]21 2356861325 UHRBQJCDCXMZHK-NQBPSCHVSA-N 328.544 4.406 0 1 EIAF CCc1cc(NCc2nc3c(ccc4ccccc43)o2)c(=O)[nH]c1C 5887387 OHFNQWZCGNAKRP-UHFFFAOYSA-N 333.391 4.152 0 1 EIAF O[C@H](CN[C@@H]1CCc2[nH]c3ccccc3c2C1)c1cccc(Cl)c1 13488797 QLNZKSYBCDXUSK-FOIQADDNSA-N 340.854 4.002 0 1 EIAF Cc1ccc2c(c1)[C@H](N1CCNC(C)(C)C1)C[C@@H]2c1ccc(F)cc1 22938048 YGBDHZJMOPGGDK-TZIWHRDSSA-N 338.470 4.395 0 1 EIAF Cn1cc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cn1 40564809 ZPLFKUSZVLGCOV-UHFFFAOYSA-N 335.798 4.427 0 1 EIAF Cc1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c(C)n1-c1ccccc1 43131865 UKWWRGPCYHAWJG-UHFFFAOYSA-N 349.478 4.044 0 1 EIAF CNC[C@H]1CN1[C@@H]1C=CC[C@]2(C)[C@@]34CCC(C)=C3C[C@@]12CC[C@H]4C 85548288 YKMCBIXVHAACBC-RMEBXJKBSA-N 326.528 4.142 0 1 EIAF biogenic,in-vitro O=C(NC1CC1)c1cccc(Nc2ccc3c(c2)CCCCC3=O)c1 95575141 IIHGVBVBYLABHA-UHFFFAOYSA-N 334.419 4.232 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(Cc3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921477 XSGUWAKXYGKJRX-GXRSIYKFSA-N 349.474 4.017 0 1 EIAF COc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1 113835549 ZTXPZKBYVPEULR-UHFFFAOYSA-N 342.395 4.139 0 1 EIAF Brc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 586883373 BOSMPWCKCONRQR-SJKOYZFVSA-N 340.224 4.092 0 1 EIAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586961348 HOKXVFBCZFOOKX-ZETCQYMHSA-N 342.321 4.364 0 1 EIAF CCN(C(=O)Cc1cc2c3c(cccc3n1)CC2)c1ccccc1C 587213433 RSXPOXNBXUVJPT-UHFFFAOYSA-N 330.431 4.237 0 1 EIAF Cc1ccc(CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1N 587250247 KECYZPSDOKJIFR-UHFFFAOYSA-N 337.320 4.397 0 1 EIAF C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357638 UWOKYLUDCLKSKU-QUCCMNQESA-N 338.334 4.399 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3CO)c1 587366277 NQDGFUVGHBRFSZ-CYBMUJFWSA-N 331.371 4.289 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)cccc31)CC2=O 587472459 QYNZVQHNGPQJLD-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF O=C1C[C@@](c2ccccn2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587516118 UXUHLSDTRMGZDL-RBBKRZOGSA-N 349.430 4.000 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2)N1 587736988 VFHUJUUNHGMYGK-JDNHERCYSA-N 338.195 4.351 0 1 EIAF CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587955202 HQKCWBXTZZFDJX-UHFFFAOYSA-N 347.340 4.355 0 1 EIAF O=NC=C1C=CN(C/C=C/CN2C=CC(=CN=O)C(F)=C2)C=C1F 1857621591 CLTIDBHIBLBHQS-WFLPXPGZSA-N 332.310 4.124 0 1 EIAF OCc1cc2c(s1)CC[C@H](NCCCCc1ccccc1)CC2 1911582306 WJQPJAIEJNBGOE-GOSISDBHSA-N 329.509 4.100 0 1 EIAF COC(=O)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356428971 DZNQMARSUVZEMD-XJKGWNRQSA-N 334.500 4.181 0 1 EIAF O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 89995 AFYRYLBMABOAHJ-UHFFFAOYSA-N 349.820 4.359 0 3 EIAF Brc1cc(C2OCCCO2)ccc1OCc1ccccc1 1629083 GTCGZLRKELOVDH-UHFFFAOYSA-N 349.224 4.464 0 1 EIAF COc1c(O)c(C(C)=O)c(OCc2ccccc2F)c2ccoc12 13682267 ICSZVXJBGCIYFT-UHFFFAOYSA-N 330.311 4.068 0 1 EIAF COc1c(C(C)=O)c(O)c(OCc2ccc(F)cc2)c2occc12 13682358 OVHDBMUAZYAHHQ-UHFFFAOYSA-N 330.311 4.068 0 1 EIAF CC(C)CNC(=O)/C=C/C=C/CCCCc1ccc2c(c1)OCO2 14591322 KXYVTCVLCVPQKR-ONNLMXTPSA-N 329.440 4.013 0 1 EIAF in-vitro CCCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958709 ZJEKJORCBWBJCK-UHFFFAOYSA-N 343.434 4.356 0 1 EIAF CC(C)CN(Cc1cc(F)ccc1C(F)(F)F)C1CCNCC1 36093172 ALDYOAMDNHLYFY-UHFFFAOYSA-N 332.385 4.055 0 1 EIAF CCOc1cccc(-c2nc(CN(C)CCc3ccccc3)co2)c1 72102294 ITGKLNMRUSJXAP-UHFFFAOYSA-N 336.435 4.415 0 1 EIAF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)o1 82165841 JUHFRFLAVBTSMQ-CHWSQXEVSA-N 338.411 4.182 0 1 EIAF Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C(C)C)cc1O 84690713 XYQRHNZTYBDVLN-UHFFFAOYSA-N 348.349 4.064 0 1 EIAF CC(C)CNc1c(-c2cccc(F)c2F)c(F)nc2nccnc12 103166712 QJPSRTZTPKFMMU-UHFFFAOYSA-N 332.329 4.177 0 1 EIAF O=C(O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 115476380 ZLBSTMTUWNYIGF-UHFFFAOYSA-N 340.191 4.001 0 1 EIAF CCC(=O)C(CCCCCCc1ccc2c(c1)OCO2)C(=O)CC 138202957 WWPHAJMTNMYHTP-UHFFFAOYSA-N 332.440 4.483 0 1 EIAF c1ccc(Nc2ccc(Oc3nccnc3N3CCCCC3)cc2)nc1 139399156 NYRFJXOBUPFYBG-UHFFFAOYSA-N 347.422 4.398 0 1 EIAF CCCc1c(Cc2cccc(Cl)c2)c(=O)[nH]c2cc(O)cc(O)c12 144702705 IBPOFIPSZDDNBE-UHFFFAOYSA-N 343.810 4.136 0 1 EIAF O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Oc2cc(O)cc(O)c21 198781625 MGRFJIPBXILYNQ-CYBMUJFWSA-N 325.147 4.111 0 1 EIAF O=C(O)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1F 587023878 RBICRMKDQRLVAX-UHFFFAOYSA-N 345.380 4.252 0 1 EIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(CO)ccc2[nH]1 587066131 JQSGFYLPPCTEEY-UHFFFAOYSA-N 337.810 4.475 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587164108 QZJNEDHHHLWYNO-OAHLLOKOSA-N 339.748 4.285 0 1 EIAF COc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587231517 BMAJXHLONYAKKK-UHFFFAOYSA-N 333.391 4.121 0 1 EIAF CC(=O)n1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587388956 CLLGFBSAEYJAPH-NRFANRHFSA-N 348.402 4.073 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nccs4)cc1)[C@@H](C2)C3=O 587454690 ZKSQRDGJBXOEIK-KXBFYZLASA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CCCCCCC(=O)O)CC2=O 587488492 JYTQNMBBWCDODI-HXUWFJFHSA-N 348.439 4.494 0 1 EIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523614 LEWCIHCLQGZFHP-WIYYLYMNSA-N 344.451 4.125 0 1 EIAF Cc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587591452 VQPKTZMHLJXEJX-UZLBHIALSA-N 335.359 4.040 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C)C(F)(F)F)N1 587708246 AEECVHATMQUKLV-NQYJQULFSA-N 340.158 4.362 0 1 EIAF CC(C)[C@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818507 DZAQKDMJKWTZRA-SIVJFFJCSA-N 326.253 4.384 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)cc2)N1 587820549 PXGFBSSUVIIKLE-QGHHPUGFSA-N 348.215 4.024 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1cc(F)ccc1N(C)C1CC1)NCC2 962296213 FOBPYVPNCYOSDM-HXUWFJFHSA-N 328.406 4.107 0 1 EIAF OCc1ccc(-c2cnc3cnc(/C=C/c4ccccc4)cn23)cc1 1857578771 AIETUOHBMOKGEY-DHZHZOJOSA-N 327.387 4.059 0 1 EIAF Cn1c(=NCC2CC2)[nH]c2cnc(-c3ccc4ccccc4c3)cc21 1857586692 GDUUPVCZNLAKIP-UHFFFAOYSA-N 328.419 4.032 0 1 EIAF CN(CCCc1ccccc1)[C@H]1CCc2cc(CO)sc2CC1 1911574450 UAMICTNBFXMAML-SFHVURJKSA-N 329.509 4.052 0 1 EIAF CCC=CCC=CC[C@H](O)[C@@H](C=C[C@@H]1CC=CCCCC(=O)O1)OC 2356466744 QXHLHGKKWDCOOY-SLFFLAALSA-N 348.483 4.263 0 1 EIAF Cc1cc2c(O)c3c(c(O)c2o1)[C@]1(C)CC[C@@H]2C[C@@]2(C)[C@H]1CC3=O 2356586396 YLFXZDORYFPSOA-UZZHRBIWSA-N 326.392 4.433 0 1 EIAF CCCC[C@H](N)CCCCCC[C@@H](C=CC(=O)O)Nc1ccc[nH]1 2356747214 YCPNWQCUZMMNHP-IRXDYDNUSA-N 335.492 4.294 0 1 EIAF COc1ccc(Cl)cc1C[C@@]1(C)C(=O)Nc2c(Cl)cccc21 61905466 JHVHOBDKIVHTOH-QGZVFWFLSA-N 336.218 4.455 0 3 EIAF COC(=O)c1c(-c2ccccc2OC)sc2cc3c(cc12)OCO3 61947995 OUBVRVNSLAMRCL-UHFFFAOYSA-N 342.372 4.092 0 3 EIAF O=C1C[C@@H](CN2CCC(Cc3ccccc3)CC2)Cc2ccccc21 13607201 RCLSGLJLLLRQJL-FQEVSTJZSA-N 333.475 4.386 0 1 EIAF COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)cc1O 35949726 XFEICBDAXKWVBZ-UONOGXRCSA-N 330.424 4.172 0 1 EIAF biogenic COC(=O)C1=C(c2cccc(-c3cccs3)c2)C[C@@H]2CC[C@H]1O2 84604922 PSBDCZZMKYJTOI-GOEBONIOSA-N 326.417 4.293 0 1 EIAF CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCO)c3[C@H](C1)C2 100752157 DYEVLJICQPJCQW-CHWSQXEVSA-N 328.843 4.288 0 1 EIAF Nc1c(Cl)cc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Cl 388533589 ZPQULEGVXQBGON-UHFFFAOYSA-N 339.266 4.130 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586912824 PIHDDEDXWSKJAD-XVKPBYJWSA-N 345.187 4.276 0 1 EIAF Clc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039194 CTDVNILXQRGRNN-HZPDHXFCSA-N 329.856 4.163 0 1 EIAF CC[C@@H](C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106133 IMJDKCWMZBEQRG-CYBMUJFWSA-N 345.398 4.330 0 1 EIAF Fc1cc(F)c(-c2nc3c(Cl)ccnc3[nH]2)cc1Br 587137897 RIHLMMWTJXJCKR-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587169199 WYBLEORREOTZIO-UHFFFAOYSA-N 333.370 4.136 0 1 EIAF Cc1cc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c(C)n1 587201472 NFTZLOIFBPGVHT-UHFFFAOYSA-N 346.475 4.156 0 1 EIAF CC[C@]1(c2cc(F)c(OC)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381898 MWLDZLNUYXZCLS-LJQANCHMSA-N 347.361 4.135 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(Cl)ccc4[nH]1)[C@@H](C2)C3=O 587421248 KXOQPICYRMNUMN-ORAYPTAESA-N 339.778 4.319 0 1 EIAF CC[C@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440629 PMOMDKVPGNGITE-VVUGWJFESA-N 338.403 4.361 0 1 EIAF Cc1c(-c2cc(Br)ccc2O)[nH]c2c(C(=O)O)cccc12 587636643 AOHCYPAWMNZOHO-UHFFFAOYSA-N 346.180 4.310 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)Cl)N1 587708525 YQKCNBHTZNISOC-KGFZYKRKSA-N 342.586 4.169 0 1 EIAF COc1ccc(CCCc2nc3cc(F)cc(F)c3[nH]2)cc1OC 587924952 HRDSWFRBNZXHLB-UHFFFAOYSA-N 332.350 4.034 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)ccnc2[nH]1 587927018 NACKMBBBCIKGRU-LLVKDONJSA-N 331.803 4.170 0 1 EIAF CC(C)(C)[C@@]1(c2cc(F)c(F)c(F)c2)NCCc2ccc(O)cc21 963327877 AZAPSDGHPFYEQB-IBGZPJMESA-N 335.369 4.245 0 1 EIAF COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc(OC)c1 1857574634 KEZZKEZFVBDUNV-VQHVLOKHSA-N 349.386 4.348 0 1 EIAF CCCC(=O)N1CC[C@]1(C)C(=O)Nc1ccccc1-c1ccccc1 61902785 MJBRBJOHWCMYKR-OAQYLSRUSA-N 336.435 4.083 0 3 EIAF COc1ccc(CN2C(=O)[C@H](n3c(C)ccc3C)c3ccccc32)cc1 206028715 AMRNIKGLDWGSQZ-OAQYLSRUSA-N 346.430 4.250 0 3 EIAF CC(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 1481777 UPMOVJBGNREKJV-FIXSFTCYSA-N 347.502 4.455 0 1 EIAF O=C(N/N=C/c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1 5770481 DIBGHSQKYJJWBD-DJKKODMXSA-N 332.190 4.239 0 1 EIAF COC(=O)/C1=C/CC/C(C)=C/[C@H]2OCC(C)=C2CC[C@]2(C)O[C@H]2CC1 13454434 NVBLQPUZABQFTK-WNORBKDASA-N 346.467 4.259 0 1 EIAF O=C(c1ccc(Cl)c(Cl)c1)N1CC=CC(c2ccccc2)=N1 13744743 HXRWXTPIAKXJDL-UHFFFAOYSA-N 331.202 4.410 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)CC[C@H]12 17140611 IURJXDRUVNGNGB-UUFHMWEXSA-N 332.484 4.101 0 1 EIAF CN(C)C[C@H]1C[C@@H]2c3ccc(Cl)cc3Cc3ccccc3N2O1 26567226 RCJWVLIRJLNAIE-VQIMIIECSA-N 328.843 4.057 0 1 EIAF CCCNCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 27098531 IXQDCUWOROENQP-UHFFFAOYSA-N 337.419 4.229 0 1 EIAF CC[C@H](C)c1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 28252681 SFWTUIATIJIIIF-YWZLYKJASA-N 343.540 4.302 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cnc(Cl)s1 72141449 LMEDUIHCIDNPGF-OAHLLOKOSA-N 337.231 4.129 0 1 EIAF NCCSC(c1ccccc1)(c1ccccc1)c1cccc(O)c1 84632596 ADYMGXUUCQNFFP-UHFFFAOYSA-N 335.472 4.376 0 1 EIAF NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccc2ccccc2c1 95582256 IRZMVHVAKKIUEZ-IBGZPJMESA-N 331.444 4.235 0 1 EIAF FC(F)(F)c1cccc(Sc2ccc3nnc(C4CC4)n3n2)c1 95603149 XUMVCIKZIMKODA-UHFFFAOYSA-N 336.342 4.172 0 1 EIAF COc1ccccc1C(=O)n1cc(C)n(-c2cccc(C)c2)c1=S 103285358 ZRMXVECKABUEQM-UHFFFAOYSA-N 338.432 4.322 0 1 EIAF CC1=C[C@H](Nc2ccccc2)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O 299820442 BLEFHFKQPDHEAA-NSPGFMQZSA-N 341.451 4.162 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c32)n1 586880830 SYJJKMKFOZABCQ-XFFZJAGNSA-N 329.359 4.288 0 1 EIAF Oc1ccc(-c2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586898738 MSXVMHZEHDXANV-UHFFFAOYSA-N 330.343 4.331 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)cc(C)c2[nH]1 586916638 NAEJIJYZSPRFOA-IERDGZPVSA-N 334.419 4.396 0 1 EIAF Cc1cc(Br)c2[nH]c(CCc3scnc3C)nc2c1 587027266 UJQACRKAJFEPJA-UHFFFAOYSA-N 336.258 4.184 0 1 EIAF C[C@H]1CCc2sc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)cc2C1 587034120 PEYCOFWJXFHJHA-QMMMGPOBSA-N 330.384 4.254 0 1 EIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(N)c(N)cc2[nH]1 587066315 KZUAGLSXXHJVRU-UHFFFAOYSA-N 337.814 4.147 0 1 EIAF CN(C(=O)OC(C)(C)C)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214173 WUBRYIHSLIAKRS-AWEZNQCLSA-N 338.451 4.058 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1Nc1ccccc1)[C@@H](C2)C3=O 587427389 CLAVGIRZCJAOBO-LQBOVUBWSA-N 349.430 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1F)CC2=O 587465353 CHAACEAVMVVKFV-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF CC1(C)[C@@H]2OCCC[C@H]2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587534344 ZDQKTWWHIFZQIS-BSIFCXSSSA-N 326.436 4.104 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc2c(c1)OCO2 587631840 WYDMBVQFSWSZCG-UHFFFAOYSA-N 346.745 4.250 0 1 EIAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)c1C 587633942 PBFHGVGWIRGGLC-UHFFFAOYSA-N 339.292 4.082 0 1 EIAF CC[C@]1(/C(C)=C/OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812482 ZMHVGHNZINWYNR-ZDUFPXEASA-N 342.252 4.278 0 1 EIAF CCCCCCn1cnc2c(oc3nc(C(F)(F)F)ccc32)c1=O 653686876 ADAFGHILKIFTOB-UHFFFAOYSA-N 339.317 4.137 0 1 EIAF CC[C@@]1(CCCCCC(=O)O)c2c(F)cccc2C[C@@H]2CCCN21 963097524 FSIZUHNPAOGNGV-OXJNMPFZSA-N 333.447 4.487 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@H]32)C1 2356618952 PLEUIMUJHJRAMH-PBEPXJRFSA-N 334.500 4.322 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CCC(=O)O[C@@]4(C)CC[C@H]32)C1 263592253 KCXUMZXWLRGXME-LTSJENNHSA-N 348.483 4.256 0 3 EIAF Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 2482274 ORWBGBAPILBMJS-SJORKVTESA-N 325.387 4.081 0 1 EIAF CCCCCCOC[C@@H](CCP(=O)(O)O)OCCCCCC 13759994 NGNOZIVRFHIABU-MRXNPFEDSA-N 338.425 4.117 0 1 EIAF CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1 22937756 OUTQVQKOJHLKNN-AZUAARDMSA-N 326.871 4.164 0 1 EIAF C[C@@]12CC[C@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1OCC2=O 26988917 COHCBZXNSQMOML-MXNKGDRCSA-N 340.463 4.422 0 1 EIAF CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1 43202387 LCESLTUVSXEGCC-UHFFFAOYSA-N 333.387 4.163 0 1 EIAF CCN(CC)C(=O)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1 66066056 SOCRIEPNZNZRSH-UHFFFAOYSA-N 332.407 4.193 0 1 EIAF CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccccc3)n2)C1 82068761 BNROBVJNXWFWPI-QRWLVFNGSA-N 341.455 4.258 0 1 EIAF CCCCNC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1F 82151079 HJPBCIQEFGAZFU-CYBMUJFWSA-N 344.434 4.023 0 1 EIAF CCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 84603466 QLQIAKBOHBBNPP-MQYQWHSLSA-N 334.851 4.026 0 1 EIAF Fc1ccccc1[C@H](Nc1nnc(-c2c[nH]c3ncccc23)o1)C1CC1 103247490 YFZAJIBGNYMWBT-MRXNPFEDSA-N 349.369 4.315 0 1 EIAF CCCSCCCn1cnc2c3cc(Cl)ccc3nc-2c1O 103591138 NATLQANKPLAFTD-UHFFFAOYSA-N 335.860 4.428 0 1 EIAF C[C@H]1CCN(c2cccnc2C2CN(c3ccc4ccccc4n3)C2)C1 139775689 SDNKIARBFISGCI-INIZCTEOSA-N 344.462 4.080 0 1 EIAF COc1cc(OC)c2ncnc([C@H]3CCc4cccc(Cl)c43)c2c1 144387128 KKLUIQPFWARDOP-ZDUSSCGKSA-N 340.810 4.379 0 1 EIAF in-vivo Cc1ccc(OCCCn2c3c(c4cc(F)ccc42)CNCC3)cc1 169350522 VBXNNSMDROLQLO-UHFFFAOYSA-N 338.426 4.204 0 1 EIAF O/N=C1/c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@H]1n1ccnc1 214714107 ZDHCCQYIVPQJLM-UKZISERJSA-N 339.782 4.090 0 1 EIAF COc1cc2nc(C)c(-c3cccc(CO)c3)c(O)c2cc1Cl 299822878 PKWJPYGJNZITMZ-UHFFFAOYSA-N 329.783 4.070 0 1 EIAF FC1(F)Oc2cc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2O1 586885162 KMZHPBNTKWDGGX-KPZWWZAWSA-N 340.329 4.256 0 1 EIAF FC(F)(F)c1ccc(-c2nc3ncc[nH]c-3n2)c(C(F)(F)F)c1 587094976 LEURZAHONZMNSQ-UHFFFAOYSA-N 332.207 4.009 0 1 EIAF Cc1ccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1C(F)(F)F 587095724 SEJIBLGDQZRLRB-INIZCTEOSA-N 348.328 4.205 0 1 EIAF Cc1nc2cccc3c2c(c1CCCN(C)C)-c1ccccc1C3=O 587103026 CSOHDNTVDZFXGV-UHFFFAOYSA-N 330.431 4.249 0 1 EIAF CCOC(=O)CCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107107 PDVKISUSWAFZDO-UHFFFAOYSA-N 345.398 4.250 0 1 EIAF Fc1ccc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587168788 MGFSXUJFMVTRAK-UHFFFAOYSA-N 328.240 4.439 0 1 EIAF Cc1c(C2(c3ccccc3)CCNCC2)nc2cccc3c2c1CC3 587211707 JIJOYSUZGFWACS-UHFFFAOYSA-N 328.459 4.311 0 1 EIAF CCc1ccccc1NC(=O)c1nc2cc(C(F)(F)F)ccc2[nH]1 587241044 PBQPZDSKTAILFG-UHFFFAOYSA-N 333.313 4.396 0 1 EIAF COC(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587243933 ULDJBKMXXYUSNM-UHFFFAOYSA-N 346.184 4.171 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OC)CC2=O 587480910 OVTPIPXTBZFPFI-GOSISDBHSA-N 342.391 4.068 0 1 EIAF O=C(O)Cc1c(-c2ccccc2Br)[nH]c2cccc(F)c12 587633048 XQHHEOZPMUUWOL-UHFFFAOYSA-N 348.171 4.364 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]12COCc1cc(OC)ccc12 963230717 ACNGQMAGJQQJOE-ZHRRBRCNSA-N 337.463 4.126 0 1 EIAF C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(=O)O)cc1 1772642005 MSQJZIBFTGYRJS-ZDUSSCGKSA-N 325.408 4.173 0 1 EIAF CC(C)[C@H]1C(=S)Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]1[O-] 1857754411 BWEJNCDFWWGOGA-INIZCTEOSA-N 344.867 4.465 0 1 EIAF CCOC(=O)c1nc2cc3n(c(CC(C)C)c-2c1C)CC(C)=C3C 1031703 IENVZJRPPLDUBE-UHFFFAOYSA-N 326.440 4.479 0 3 EIAF COc1cccc(-c2c[nH]c([C@H](O)c3cc(Cl)cc(Cl)c3)n2)c1 61902875 XQVYKZWEUXMOHJ-MRXNPFEDSA-N 349.217 4.474 0 3 EIAF Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCCC2 13800366 CBUWQRLCBJTRCE-UHFFFAOYSA-N 325.355 4.459 0 1 EIAF Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 26480627 MZFKWSFOAVBLQM-QGZVFWFLSA-N 344.462 4.452 0 1 EIAF COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1C(F)(F)F 27075872 WBMWIVWQBJYHRD-UHFFFAOYSA-N 336.265 4.193 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C/Cl)[C@@H]1CC[C@@H]2O 28568285 PHKKCWVLOCDAJQ-BEGAVBFQSA-N 336.903 4.404 0 1 EIAF COc1ccc(-c2nc(C=O)c(C)o2)c2ccc(C(F)(F)F)nc12 28950181 IMKSKHIWCRHHID-UHFFFAOYSA-N 336.269 4.038 0 1 EIAF CCC(=O)C(Cc1ccc(Cc2ccc(OC)cc2)cc1)C(=O)CC 33494088 ZXLIDANFIWPPGZ-UHFFFAOYSA-N 338.447 4.403 0 1 EIAF O=C([C@@H]1Oc2ccccc2[C@H]1CCc1ccccc1)N1CCCCC1 40584914 LHEBGDMFEHYIPS-TZIWHRDSSA-N 335.447 4.177 0 1 EIAF COc1ccc2c(c1)CC[C@@H](Cc1ccccc1Br)C2=O 64417348 GKGZPFKBDIIBHB-AWEZNQCLSA-N 345.236 4.446 0 1 EIAF in-vitro CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc(C)cc1 73197947 GBDCCDOMYQOJJC-NRFANRHFSA-N 330.387 4.387 0 1 EIAF Cc1cccc([C@@H](O)c2nnc(Nc3ccccc3Cl)s2)c1 82078390 PPFITAHBHXJRAC-CQSZACIVSA-N 331.828 4.325 0 1 EIAF CCCCCCN1CC[C@@]23CCCC[C@]2(O)[C@@H]1Cc1ccc(O)cc13 473115305 RMUSYOVNZIUCSG-BDTNDASRSA-N 343.511 4.146 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(Cl)c2[nH]1 586882441 TWGUEVZGPDUYIA-UHFFFAOYSA-N 326.783 4.145 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586888828 YTQZTLCYGFRSDV-GRYCIOLGSA-N 345.240 4.273 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CCCN1CC3 587108299 ZZIRRHZRMZEHPF-SFHVURJKSA-N 326.399 4.139 0 1 EIAF Cc1c(F)ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 587112461 HOLXBYQMKGPELT-ZDUSSCGKSA-N 337.320 4.272 0 1 EIAF Nc1ccnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587127879 CIUHQYKHDLZCQP-UHFFFAOYSA-N 343.362 4.268 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587132883 KKUJIBYSLGOJEA-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF Nc1cncc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587254101 LSABZKRMDXSZLP-UHFFFAOYSA-N 346.234 4.245 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2C2CC2)[C@@H]1c1ccc(F)cc1 587348728 ASJZCOUNUVUTTR-QFUCXCTJSA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc(Cl)c1Cl)O2 587373405 DEMWJRTUKRMVEZ-CYBMUJFWSA-N 338.190 4.296 0 1 EIAF COc1c(C)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587375775 OVOVAWLTTYEJNB-LJQANCHMSA-N 345.826 4.428 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS[C@@H](c3cccs3)C1)O2 587413128 MJUAJWJDLUJGCU-WBVHZDCISA-N 331.462 4.221 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1C(C)C)[C@@H](C2)C3=O 587431977 SJUZACSWFCFQTG-VBKZILBWSA-N 348.402 4.115 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(CCSc1ccccc1)[C@@H](C2)C3=O 587449812 CYLSLCOILVQBBS-OXJNMPFZSA-N 340.444 4.384 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)Br)CC2=O 587453493 QWTKOLLYTFUAMD-MRXNPFEDSA-N 341.245 4.242 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N(C)C)CC2=O 587467573 FGICGWFIOTXJEK-IBGZPJMESA-N 325.408 4.117 0 1 EIAF Cc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587519156 VMVYRXVLRHEWBY-IBGZPJMESA-N 332.403 4.228 0 1 EIAF O=C1C[C@H]([C@H]2CCOc3ccccc32)Oc2c1ccc1c2CCCC1 587535711 NMABYNMOQOWELK-LAUBAEHRSA-N 334.415 4.466 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 587615256 FZZWVKUOZVVDDA-FXAWDEMLSA-N 336.343 4.305 0 1 EIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cccc(O)c2[nH]1 587781866 DPTUVNSWFKWVHG-UHFFFAOYSA-N 332.359 4.220 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 587787992 YNWOPTGYEIJHBN-HUUCEWRRSA-N 340.810 4.468 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587962468 JMIQZICEYQURGQ-SFYZADRCSA-N 341.636 4.137 0 1 EIAF Clc1ccnc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961613945 JBWHANZIEZSFOL-HNNXBMFYSA-N 349.659 4.265 0 1 EIAF COc1ccc2c(c1)[C@]1(CCCc3oc(C)cc31)N(C(C)C)CC2 962093959 UOKBXLKWICGPFR-NRFANRHFSA-N 325.452 4.443 0 1 EIAF COc1cccc(CC[C@@]2(C3CCC3)NCCc3ccc(O)cc32)c1 963339940 CUDDCMONJGLFIS-QFIPXVFZSA-N 337.463 4.175 0 1 EIAF COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(C)=O 1857629179 MGUIEBJOKCKEDU-UHFFFAOYSA-N 335.407 4.278 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@](O)(CC[C@H](C)[C@@]2(C)CCc2ccoc2)C1 2356379042 GFLGDURTANEUKG-MEGFKASBSA-N 346.467 4.279 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@@H](C(=O)O)[C@]21C 2356625069 YOHUCVRCSMMGNP-ZEWMMAHBSA-N 346.423 4.202 0 1 EIAF COc1ccc(C=CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1O 2356644298 AQZFKHDQPNFGQT-CFLQYTFWSA-N 330.424 4.172 0 1 EIAF O[C@H](c1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61928556 ZPJNOBWZOWTXGE-OAHLLOKOSA-N 336.288 4.316 0 3 EIAF COc1cccc(-c2nc3nc(C)cc(C)n3c2NC2CCCC2)c1 95567916 IJNDXQWXDKGZME-UHFFFAOYSA-N 336.439 4.376 0 3 EIAF Cc1cnc(CNc2nc(-c3ccccc3C)nc3ccccc23)cn1 4266894 PMJFBDFFKPCKGP-UHFFFAOYSA-N 341.418 4.316 0 1 EIAF Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 13834964 REMKRFNRBRPTQP-UHFFFAOYSA-N 328.366 4.202 0 1 EIAF C[C@@H](c1cccc(OC(=O)N(C)[C@H](C)Cc2ccccc2)c1)N(C)C 13981937 QGKSWUZOCNWHHA-SJORKVTESA-N 340.467 4.371 0 1 EIAF CCN1CCN(c2nc(-c3ccccc3)cc3cc(C)ccc23)CC1 27519649 WLWMVZFMNGLPDT-UHFFFAOYSA-N 331.463 4.352 0 1 EIAF Cc1ccc2oc(N[C@@H](CC3CCCCC3)C3=CN(C)NO3)nc2c1 28010819 LTIGUMVBVNJDSN-INIZCTEOSA-N 342.443 4.110 0 1 EIAF CC1(C)C[C@H](NC(=S)Nc2cccnc2)c2cc(Cl)ccc2O1 45393534 BTRYMQRDYTUDEA-AWEZNQCLSA-N 347.871 4.324 0 1 EIAF CC(C)(C)NC(=O)c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1 64693589 NBCDDHOZABVGTI-UHFFFAOYSA-N 330.190 4.051 0 1 EIAF CCOc1ccccc1-c1nc(CN(C)CCc2ccccc2)co1 72103129 UTRQIJGGSXHJPT-UHFFFAOYSA-N 336.435 4.415 0 1 EIAF CC(=O)N[C@@H](C)CC[C@H]1CC[C@H](Oc2ccc(OC(C)C)nc2)CC1 101381590 BGSSITZNPKHFTP-RYQLBKOJSA-N 348.487 4.111 0 1 EIAF COc1c(C)[nH]c2ccc3c(c2c1=O)[C@@H]1CCC[C@@]3(c2ccccc2)O1 103235280 PKYCMYNWURXMPV-JTSKRJEESA-N 347.414 4.344 0 1 EIAF C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N 169688144 DMZIRWOKFVEFRU-ZOBORPQBSA-N 336.439 4.316 0 1 EIAF CC1=CCc2c(c(O)n(-c3ccc(C)c(Br)c3)c2O)C1 169689949 POCRHTNXBRPKBC-UHFFFAOYSA-N 334.213 4.004 0 1 EIAF Cn1cc(-c2cccc3ccc(Nc4ccccc4)nc23)cc1C(N)=O 222350115 ANSUGTWOYLPHEI-UHFFFAOYSA-N 342.402 4.083 0 1 EIAF Cc1cc2c(c3c1-c1ccc4cc5c(cc4c1NC3)OCO5)OCO2 238777326 ZUAPXIXLBSQDNW-UHFFFAOYSA-N 333.343 4.198 0 1 EIAF c1ccc(CN[C@@H]2CCCn3nc(OCc4ccccc4)cc32)cc1 299835947 FGUFFVPXTSHUIM-LJQANCHMSA-N 333.435 4.087 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2ccc(OC(F)(F)F)cc2[nH]1 586881621 XWIYDNPGEUIEBK-YVMONPNESA-N 348.280 4.330 0 1 EIAF Cc1nccn1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105249 UUXBKGBAZMVYFT-UHFFFAOYSA-N 339.398 4.194 0 1 EIAF CCOC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107388 RWCBLEXHFQSAFS-UHFFFAOYSA-N 348.324 4.349 0 1 EIAF Fc1nc(Cl)ccc1-c1nc2cc(Br)cc(F)c2[nH]1 587177150 ABBKQQXWDMCKOK-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1c(Br)cc2nc(-c3cccc(CN)c3)[nH]c2c1C 587245868 FVNKNNAXRNBMHG-UHFFFAOYSA-N 330.229 4.068 0 1 EIAF CC(C)(C)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587254987 UEPSKEZRNJEXJV-UHFFFAOYSA-N 343.434 4.397 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3)nc1C)O2 587393734 KVNBBSYQABLSJJ-LJQANCHMSA-N 345.402 4.049 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(O)cc1C)CC2=O 587480149 FKMXFTXOWMYAJH-LJQANCHMSA-N 326.392 4.374 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1cc(C)nc(C)c1)CC2=O 587489816 WHFUHNJJXGBTHQ-MRXNPFEDSA-N 339.435 4.323 0 1 EIAF O=C1C[C@]2(CCNc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587503142 CXACNDQYFBHDOX-NRFANRHFSA-N 337.394 4.381 0 1 EIAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 587627192 PDKGQTIKBIBOJX-LQPMFNLWSA-N 344.842 4.120 0 1 EIAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2c(C(=O)O)cccc12 587637563 KMSZBOPWANRCNX-UHFFFAOYSA-N 341.338 4.157 0 1 EIAF COc1ccc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC 587926097 ICINASWVUKVBDF-UHFFFAOYSA-N 333.391 4.028 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587953055 YZBPTCVBRZIOEV-UMNHJUIQSA-N 342.365 4.370 0 1 EIAF C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 21226 AGWBMRMDTWHPJM-DJJJIMSYSA-N 328.843 4.076 0 1 EIAF CCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222344 ILRSUVQZPNOPRG-IAGOWNOFSA-N 339.830 4.035 0 1 EIAF Brc1cccc(Nc2ncnc3c2ccc2[nH]cnc23)c1 3815322 NIYBTTXLFLIXIE-UHFFFAOYSA-N 340.184 4.012 0 1 EIAF CC[C@@]1(c2cccc(OC)c2)Oc2ccccc2-n2cccc2C1=O 3941836 GKVZGXXACNPWOI-NRFANRHFSA-N 333.387 4.367 0 1 EIAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3cccc(Cl)c3N2O1 13437101 IRIGJBAWLKWASO-YJBOKZPZSA-N 328.843 4.057 0 1 EIAF COC(=O)COc1cccc(/C=C/c2ccc3cc(C)ccc3n2)c1 13727958 UOONJQMNLJHZMN-VQHVLOKHSA-N 333.387 4.265 0 1 EIAF O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(Cl)cc1 28233734 SBLMKBRQIGITDV-UHFFFAOYSA-N 341.219 4.276 0 1 EIAF CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(C)c1 28863586 KLPYZNBRXDLNKL-UHFFFAOYSA-N 338.190 4.479 0 1 EIAF Cc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 72102714 WYLRDUQMGBMFLG-UHFFFAOYSA-N 330.391 4.144 0 1 EIAF CCCCc1ccc(-c2nc(CNCCCn3ccnc3)co2)cc1 72184099 CWBZVSTWWQWXAK-UHFFFAOYSA-N 338.455 4.061 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccc(Br)s3)N2O1 169434704 VLPBXGCJQKKZGE-PWSUYJOCSA-N 340.217 4.457 0 1 EIAF CC(C)CNC(=O)/C=C\CCCC/C=C\c1ccc2c(c1)OCO2 205794641 PAXQNYHJDFKFEU-XOHWUJONSA-N 329.440 4.317 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O 238762760 GMESSRPWBYEAPG-ZWVMGRIOSA-N 348.483 4.016 0 1 EIAF COC(=O)c1cc2[nH]c(-c3c(C)ccc4ccccc34)nc2cc1OC 586884265 RRFIDWQMMCRXQP-UHFFFAOYSA-N 346.386 4.487 0 1 EIAF Clc1ccc(Br)nc1-c1nc2c(Cl)ccnc2[nH]1 587005336 UDXMTFKZYBUSHD-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cc1ccc2c3c(cc(-c4cn(C)c(C)n4)nc13)-c1ccccc1C2=O 587096942 FJQTZYISIZDMEC-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)cnc4[nH]3)cc2[nH]1 587120194 BZLPSTSJXBFIEG-UHFFFAOYSA-N 337.692 4.173 0 1 EIAF Cc1cc2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2c(C)n1 587135878 HCYABNPMLAJBOR-UHFFFAOYSA-N 328.391 4.140 0 1 EIAF Cc1cnc(O)n1-c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210705 DZYPPCURPNBHCR-UHFFFAOYSA-N 327.387 4.200 0 1 EIAF c1ccc(CN2C[C@H]3Cc4nc5cccc6c5c(c4C[C@@H]3C2)CC6)cc1 587212912 SHZFXBQMPWGZGL-RTBURBONSA-N 340.470 4.180 0 1 EIAF Cc1ccc(-c2noc(Cc3cc4c5c(cccc5n3)CC4)n2)cc1 587213368 ZHVHIYJXPOFYAC-UHFFFAOYSA-N 327.387 4.283 0 1 EIAF CC[C@@H](C)n1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378173 MQHGIZQSMLICBC-MEBBXXQBSA-N 347.846 4.413 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]cc1-c1ccccc1)[C@@H](C2)C3=O 587438138 MQRLKWDOVCWFIC-JTSKRJEESA-N 345.398 4.353 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C)c1)CC2=O 587481972 QMGAROFODNWWSG-LJQANCHMSA-N 326.392 4.368 0 1 EIAF CCCCc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cn1 587490081 OKYMJOQUBRTUPE-GOSISDBHSA-N 340.423 4.184 0 1 EIAF O=C1C[C@@H](c2ccc(O)c(F)c2F)Oc2c1ccc1c2CCCC1 587501153 AOIDDOVBRSKLNQ-INIZCTEOSA-N 330.330 4.256 0 1 EIAF COc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1N 587512359 XAVHHSNLJKQCAW-OAQYLSRUSA-N 337.419 4.037 0 1 EIAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790204 IBTQTHLNJZKBJG-QLJPJBMISA-N 337.236 4.157 0 1 EIAF Cc1cc(=O)oc2cc(NC(=O)c3ccc4cc(N)ccc4c3)ccc12 1772623507 DARCSXOXJMLYOG-UHFFFAOYSA-N 344.370 4.089 0 1 EIAF O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2cccnc2)cc1 199265668 ULXKBMHBEWSSFK-UHFFFAOYSA-N 342.402 4.488 0 3 EIAF Cc1ccc(-c2c(NC(=O)Nc3ccccc3)nc3ncccn23)cc1 203466255 ZHQWUGCHGMFNDF-UHFFFAOYSA-N 343.390 4.349 0 3 EIAF NC(=O)c1cccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc12 13612058 FRCCLVAZMCTOLD-UHFFFAOYSA-N 329.359 4.121 0 1 EIAF CCN(CC)CCCNc1ccnc2cc(Br)ccc12 27554687 VNVHCHGJYDFMSI-UHFFFAOYSA-N 336.277 4.141 0 1 EIAF CCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl 28956581 XXGJLYPGRKUGIC-UHFFFAOYSA-N 338.190 4.422 0 1 EIAF CC(=O)Nc1ccc(Cl)c(COc2cccc3cnccc23)c1 29552015 BULWIIBLDMUZQC-UHFFFAOYSA-N 326.783 4.426 0 1 EIAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]1(C)C(C(=O)O)=CCC[C@@H]21 34332672 HIDTYMFIVRETDY-VQEGESQYSA-N 344.407 4.111 0 1 EIAF NC(=O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)oc2c1 40556617 AEWSQSIRJGFZGQ-UHFFFAOYSA-N 330.343 4.386 0 1 EIAF CC(C)(C)c1cccc(OC[C@@H]2CN(c3ccccc3)C(=O)O2)c1 49783955 MBUPZOYXYDXALG-SFHVURJKSA-N 325.408 4.388 0 1 EIAF Cn1ccc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1 64549835 UNKZYKXHTPRCOC-UHFFFAOYSA-N 347.443 4.483 0 1 EIAF COc1ccc(CON(CCc2ccccc2)c2ccccn2)cc1 73157530 PPWPTQXAHABBGP-UHFFFAOYSA-N 334.419 4.271 0 1 EIAF FC(F)(F)c1ccccc1-c1nnc2ccc(-c3ccccc3)nn12 82060580 HMGCHOMRHHKCAV-UHFFFAOYSA-N 340.308 4.477 0 1 EIAF Cc1csc(NC(=O)c2ccc(COc3ccccc3)s2)n1 95755499 FLGHTQFLKNTTNO-UHFFFAOYSA-N 330.434 4.344 0 1 EIAF CCCCCn1c2ccccc2c2cc(C(=O)N3CCNCC3)ccc21 96938075 FPWGARRGHTWQJZ-UHFFFAOYSA-N 349.478 4.030 0 1 EIAF Cc1ccc2nc(-c3ccc(Cl)cc3)nc(NCCN(C)C)c2c1 299865887 OGFXDFJMIVWKCB-UHFFFAOYSA-N 340.858 4.232 0 1 EIAF CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(Cl)c2)cc1 473109506 SMPHVYRQSMPMBE-QGZVFWFLSA-N 334.799 4.471 0 1 EIAF Nc1cccc(Nc2ncc(C(=O)c3ccccc3Cl)s2)c1F 473133410 ZSXCCLCKWRKDEA-UHFFFAOYSA-N 347.802 4.492 0 1 EIAF Oc1ccccc1C1(c2nc3cc(F)cc(Br)c3[nH]2)CC1 586896696 JLTCZCRGGICBNF-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 586908288 CIKFPOBMWFJBEY-SKDRFNHKSA-N 327.197 4.137 0 1 EIAF CCCc1c(C(C)=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990704 FFRZVEZZMGRVMB-UHFFFAOYSA-N 331.371 4.307 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](OC1CCC1)C3 586992085 NAHNZXSUBFNCTP-QGZVFWFLSA-N 343.382 4.318 0 1 EIAF COc1cc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2cc1Cl 587045740 FKZFYRRGBIJBPE-UHFFFAOYSA-N 339.178 4.260 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2[nH]1 587060213 GDUUXSWLPYRQRP-UHFFFAOYSA-N 339.704 4.487 0 1 EIAF Oc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077430 XQKXBIRPBFGLIH-UHFFFAOYSA-N 337.766 4.357 0 1 EIAF Cc1c(-c2ccn(C)n2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098413 UVQUBRAGZMDAIU-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF O=C1c2ccccc2-c2cc(C3=CC=CN4C=CN[C@H]34)nc3cccc1c23 587107339 RCOBDLWEPZQEGA-QHCPKHFHSA-N 349.393 4.059 0 1 EIAF Cc1c(Br)cnc2[nH]c(-c3cc4cc(N)ccc4o3)nc12 587251960 PJGIFUYFTBCXID-UHFFFAOYSA-N 343.184 4.024 0 1 EIAF COc1cc2c3c(c1)O[C@@H](CCCCOc1ccccc1)[C@@H](C2)C3=O 587442990 SHONHDUMFFPETK-MSOLQXFVSA-N 338.403 4.061 0 1 EIAF C[C@]1(CCCCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587530405 UJQXCTATIDZQTI-FQEVSTJZSA-N 330.424 4.324 0 1 EIAF O=C(COc1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874284 SVFSGBABLAQZRN-UHFFFAOYSA-N 344.729 4.168 0 1 EIAF N=C(N)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955135 GBMNDKNLDRPYIO-SFHVURJKSA-N 340.430 4.222 0 1 EIAF COC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553313 NJPJWEDRLRTSLU-UHFFFAOYSA-N 340.419 4.425 0 1 EIAF COc1cc2nccc(Oc3c(OC)cccc3OC)c2cc1OC 13859460 CLCJUOVPBFXTBQ-UHFFFAOYSA-N 341.363 4.062 0 1 EIAF CC[C@@H](C)Sc1nc([C@@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 13863476 QIUAPKYBHDKVCU-ZJUUUORDSA-N 338.423 4.399 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H]1C(=O)c3ccoc3C[C@H]12 14615343 YSMSCOUXKWVCGA-PPQTYKQMSA-N 330.424 4.030 0 1 EIAF biogenic CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1O)CC2 14819201 ZKQRTKHIRJLHLJ-IBGZPJMESA-N 326.392 4.378 0 1 EIAF biogenic,in-vitro Cc1ccc(-c2ccc(-c3cc(C(N)=O)cc(C(=O)O)c3)cc2)cc1 14960636 DLRKWTKJHPRPPF-UHFFFAOYSA-N 331.371 4.126 0 1 EIAF C/N=c1\nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)s1 27738715 QFKPNUVKOUEQCZ-OBGWFSINSA-N 336.247 4.438 0 1 EIAF CN(C(=O)CN1CCCCC1)c1ccc(Sc2ccccc2)cc1 27999348 QYVOIIMAGRIBJM-UHFFFAOYSA-N 340.492 4.287 0 1 EIAF CCOC(=O)c1ccc(-c2nn(-c3ccco3)c3ccccc23)cc1 29064244 CWGBRMMZZTWWHT-UHFFFAOYSA-N 332.359 4.462 0 1 EIAF O=C(c1ccc(-c2nc(-c3cccs3)no2)s1)C(F)(F)F 40848216 HYKSAOKILFBKEU-UHFFFAOYSA-N 330.312 4.272 0 1 EIAF CC[C@H]1O[C@@H]2c3ccsc3CO[C@@H]2[C@H]1OCc1ccccc1F 59963242 OSTMMHZSIKWIAU-BGTYHANMSA-N 334.412 4.221 0 1 EIAF O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(F)c1 73278950 HDAZCZMFLGRFRE-UHFFFAOYSA-N 347.353 4.408 0 1 EIAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Oc1ccncc1 90427274 UMBMZEJSSDGNOU-IBGZPJMESA-N 343.423 4.275 0 1 EIAF C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C)C3)[C@@H]2CC/C(C)=C/CC1 101392195 YFOLGCJWYIGIKF-RXHMYKNASA-N 331.500 4.343 0 1 EIAF CC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)cc1 103282484 WTVYVUWZTINQTM-UHFFFAOYSA-N 347.374 4.085 0 1 EIAF Cc1ccc2c(ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c32)n1 586880310 PFWYCEWBGVPWCX-YRNVUSSQSA-N 329.359 4.184 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587162254 AIONMOGGVUIPFE-CYBMUJFWSA-N 339.201 4.055 0 1 EIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(O)cc2[nH]1)C1CCCC1 587226095 OSISUMTXRCISGP-HNNXBMFYSA-N 331.416 4.025 0 1 EIAF Cc1ccc(-c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)no2)cc1 587393865 AQZAWFHQILRNOH-LJQANCHMSA-N 334.375 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(-c4ccccc4)no1)[C@@H](C2)C3=O 587439004 SZBARWUYSZPGPV-BTYIYWSLSA-N 347.370 4.013 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1O)CC2=O 587466940 QVJGFUVOSUQJPQ-OAHLLOKOSA-N 334.318 4.035 0 1 EIAF Cn1cc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 587517382 MFDYMRKIUOOPBD-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF O=C(O)CC[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531335 YZDWTZSQVWBELT-BTYIYWSLSA-N 342.435 4.324 0 1 EIAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 587638803 QNQMVPFJYJKHEC-UHFFFAOYSA-N 343.766 4.363 0 1 EIAF COc1ccc(C(C)(C)C)cc1-n1ncc2ccc(Cl)cc2c1=O 587652888 MZEXTCASVAVSOQ-UHFFFAOYSA-N 342.826 4.345 0 1 EIAF CCC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587813877 QFFZLRLIMRLHCE-VFZGTOFNSA-N 342.252 4.169 0 1 EIAF Cc1ccoc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831470 XGJLANXIRVZGFJ-MGPLVRAMSA-N 338.220 4.287 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCSC2)N1 587857565 RQFACFBWGLWPLE-RFAUZJTJSA-N 342.277 4.227 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3nccc(-c4cccs4)n3)n1)O2 587876608 RNOGIICPUWZMTJ-UHFFFAOYSA-N 336.351 4.303 0 1 EIAF O=C(N/C=C/c1nc(-c2cccc(F)c2)cs1)N1CCCCC1 1772579706 CCMAXDWZORQVLQ-BQYQJAHWSA-N 331.416 4.115 0 1 EIAF COc1cccc(-c2ncc3ccccc3c2COC(=O)N(C)C)c1 36388747 MWBFFLCAIATGLY-UHFFFAOYSA-N 336.391 4.109 0 3 EIAF CCCOc1ccc(F)cc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 61906522 CAUFZBLWXIJVRV-UHFFFAOYSA-N 345.418 4.067 0 3 EIAF CCCCCCC1=NOC[C@]1(C)C(=O)N[C@H](C)c1ccc(F)cc1 4215715 ISMQQUCCARCXSO-KUHUBIRLSA-N 334.435 4.366 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccc3c(c1)OCO3)C2 14860463 PYUDOIXLMHGZJD-SOKBBMIUSA-N 328.408 4.187 0 1 EIAF CSC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 14947015 FDHUZZLLTRFCDB-NLPMXTIOSA-N 332.509 4.431 0 1 EIAF O=C(CC1=CCCCC1)N1CCc2onc(-c3cccc(F)c3)c2C1 20205420 UPNZHSTVGNHZRP-UHFFFAOYSA-N 340.398 4.256 0 1 EIAF O=C(c1ccc2ccccc2c1)N1CCC(NCc2ccccc2)CC1 28707274 UFZKGKRQDJRANI-UHFFFAOYSA-N 344.458 4.234 0 1 EIAF CCNC[C@@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 28873441 MESUMNNLNBOPTM-GLJUWKHASA-N 329.875 4.103 0 1 EIAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]32)C1 34535701 MAJGNSQEHSUITF-QNEXQYMPSA-N 348.527 4.222 0 1 EIAF biogenic CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(-c2ccccc2)cc1 40872393 ZJKAIWIQCVGYKH-YADHBBJMSA-N 348.490 4.359 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)s1 73196263 PPYYONRHNSUCHZ-UHFFFAOYSA-N 339.416 4.099 0 1 EIAF O=c1sc2ccccc2n1CCCCCCN1CCCCCC1 96916493 HNEVCNPSSGOXJA-UHFFFAOYSA-N 332.513 4.499 0 1 EIAF Cc1ccc(CN2[C@H]3CC[C@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1 100617031 CUJPUWSIKWTBRS-SFTDATJTSA-N 346.478 4.479 0 1 EIAF CCn1cc(-c2ccccc2)nc1CCc1nc2cc(C)cc(C)n2n1 113419907 VZXZYCVSKTTYEI-UHFFFAOYSA-N 345.450 4.015 0 1 EIAF COc1ccc(/C=C/c2nnc(-c3cccc(Cl)c3)o2)cc1O 169353189 USWWSCWLCPEOGY-SOFGYWHQSA-N 328.755 4.275 0 1 EIAF COc1cc2nc(C)c(-c3ccc(C(=O)O)cc3)c(O)c2cc1Cl 299821052 IVJHGSGVTGMSNL-UHFFFAOYSA-N 343.766 4.276 0 1 EIAF COc1cc2c(c(OC)c1O)[C@@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@]31C 299859001 VBNGTWZWDZGAEG-HIEMWTLHSA-N 330.424 4.187 0 1 EIAF COc1cc(-c2nc3ccnc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587046272 OVWBRLBKPXQEGE-UHFFFAOYSA-N 347.802 4.027 0 1 EIAF COC(=O)c1cccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085603 WHCBFPKYXMFYLX-UHFFFAOYSA-N 337.766 4.218 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587088407 MRYGNLGDAMLHRR-LURJTMIESA-N 333.169 4.014 0 1 EIAF Fc1ccc(/C=C/c2nc3ccnc(Br)c3[nH]2)c(F)c1 587148220 GRRVNNSLGWROTQ-DUXPYHPUSA-N 336.139 4.169 0 1 EIAF CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(C)cc1 587216504 CONVEBGMMFJBGD-FQEVSTJZSA-N 347.462 4.170 0 1 EIAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(F)c2[nH]1)C1CCCC1 587226874 VRPGUCVKDJXZMO-AWEZNQCLSA-N 333.407 4.458 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Cl)cc(F)cc31)O2 587385466 SSUCKTQDQVYAFN-GOSISDBHSA-N 331.774 4.177 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(-c3ccccc3)oc1C)O2 587394012 PLOPALVGLQWLNY-OAQYLSRUSA-N 348.402 4.421 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)ccc3C1)CC2=O 587472800 VGSCSPPULMCZTP-OAQYLSRUSA-N 340.394 4.377 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC13CCOCC3)CC2=O 587486585 LXZMGMQWKVVXLY-FQEVSTJZSA-N 330.424 4.029 0 1 EIAF COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629860 LOENTGHGWXYMQX-UHFFFAOYSA-N 345.626 4.401 0 1 EIAF Cc1cnccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587772658 FOQSEIHQIXLEMM-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF Cc1ccnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587773313 QKJJONATXDSGGB-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)c1C 587872105 HKTHYNLAXTZXIW-UHFFFAOYSA-N 344.411 4.455 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587929609 CAARSJSKYNSGPQ-QMMMGPOBSA-N 338.304 4.474 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccn1-c1ccccc1 963633533 IQCRQJBBBFCYON-NYHFZMIOSA-N 348.446 4.118 0 1 EIAF CCCN=c1nc2[nH]c(CC)c(C)c(-c3ccc(OC)cc3)c-2s1 1857535451 MIXDAXNJCIRHCN-UHFFFAOYSA-N 341.480 4.433 0 1 EIAF CO[C@@H](c1nc(SC(C)C)nc(O)c1C)c1c(F)cccc1F 1857551808 HBZMULNHSVXVKW-CQSZACIVSA-N 340.395 4.005 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)c3c(C)coc3C[C@H]12 2356607909 WEHPANHORJZTCX-JZLGFCFSSA-N 332.440 4.108 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H](C)C(C(=O)O)=C3CC[C@@H]12 2356668762 ANHLKXBWFSLYAB-OLZMITSHSA-N 334.456 4.193 0 1 EIAF COc1cc2c(cc1OC)C1=C(C)c3ccc4c(c3CN1C=C2)OCO4 2356819465 FBUCBGHAHXHMAG-UHFFFAOYSA-N 349.386 4.121 0 1 EIAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61904847 NYTIAQKRHWENLR-OAHLLOKOSA-N 339.313 4.448 0 3 EIAF Cc1nc(Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 753850 SEWZNRHMUXWPEK-UHFFFAOYSA-N 339.420 4.351 0 1 EIAF CCCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 4427925 GIXHJNAEIKBHDJ-NRFANRHFSA-N 336.435 4.055 0 1 EIAF CCO[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13472055 YMCQNFKWAUISDZ-OAQYLSRUSA-N 337.463 4.113 0 1 EIAF CN1Cc2ccccc2[C@H]2c3cc(O)c(Br)cc3CC[C@@H]21 13739907 LGYJRJSIABNMNK-WMZOPIPTSA-N 344.252 4.047 0 1 EIAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 28523813 BSOLCASXROXPRZ-RFUYNDQBSA-N 329.440 4.466 0 1 EIAF c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCOCC3)cccc2c1 28653618 JQQLXARPNNPHPC-FGZHOGPDSA-N 339.479 4.042 0 1 EIAF C[C@@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 29204546 UZQLDBWLAOCBOO-SUXGJCAPSA-N 345.748 4.421 0 1 EIAF COc1cc(/C=C/C(=O)Oc2cc(C)ccc2C(C)C)ccc1O 38476879 SAPCTEIJDRQWKM-JXMROGBWSA-N 326.392 4.451 0 1 EIAF O=C(O)[C@H](Cc1ccc(C(F)(F)F)cc1)Oc1ccc(Cl)cc1 40892620 GKKPZUKGEAWMMS-AWEZNQCLSA-N 344.716 4.434 0 1 EIAF COc1ccc(NC(=N)Nc2ccccc2)nc1Cc1ccccc1 45210245 RWAANZPKQIYEOW-UHFFFAOYSA-N 332.407 4.140 0 1 EIAF C[C@@H]1C[C@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCN1 49051095 CUVCFXBDBPAFQU-HUUCEWRRSA-N 342.870 4.125 0 1 EIAF COc1ccc2cc(C(=O)[C@@H]3CN=C4C=C(C)C=C(C)N4C3)ccc2c1 49803293 ZWLXIQPPWIUSGY-LJQANCHMSA-N 346.430 4.225 0 1 EIAF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2ccccc2F)n1 82152910 MVFPSRKBYRRAIP-OLZOCXBDSA-N 344.434 4.021 0 1 EIAF CCC/N=c1\c(NC(=O)C2CCC(C)CC2)c(O)oc2ccccc12 101855159 JPRMCEMTRVCKHG-FXBPSFAMSA-N 342.439 4.214 0 1 EIAF c1ccc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587018349 WCDXJLZNKSUYGX-UHFFFAOYSA-N 343.415 4.400 0 1 EIAF C[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc(Cl)cn1 587080459 VNYZBJCAXCTMFN-ZCFIWIBFSA-N 332.688 4.180 0 1 EIAF CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384792 IYSFDRJDQZVTFG-IBGZPJMESA-N 342.414 4.269 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([C@@H]3CCCO3)s1)O2 587409282 HMVPIGXEMGRSQP-GJZGRUSLSA-N 329.421 4.197 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)cc1OC)CC2=O 587466546 OMDRTSGJPRCSKW-GOSISDBHSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1NC(C)=O)CC2=O 587469112 IIZGQSMZRBTXJC-IBGZPJMESA-N 339.391 4.010 0 1 EIAF CC[C@@]1(c2ccc(F)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587505182 HRXDTFXOSUBQKJ-FQEVSTJZSA-N 325.383 4.370 0 1 EIAF Cn1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516403 SHULTBDCBLLVNL-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587589110 NMFJVVUQUHTDKZ-UZLBHIALSA-N 335.359 4.040 0 1 EIAF COc1ccc2c(c1)nc(-c1ccc(NC(C)=O)cc1)c1[nH]ccc12 1857750278 ISDNFXJGYUSDCX-UHFFFAOYSA-N 331.375 4.350 0 1 EIAF COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)O[C@H]2OC 1857765108 VBJOLSGDSCKIHA-HXUWFJFHSA-N 336.343 4.036 0 1 EIAF CC(C)CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 1857769664 ZGCLHZNRQPZJTL-QGZVFWFLSA-N 342.391 4.099 0 1 EIAF COCCCN(C(=O)Nc1cccc(Cl)c1)[C@@H](C)c1ccccn1 8617853 APCUEFSTYZZQEF-AWEZNQCLSA-N 347.846 4.367 0 3 EIAF Nc1noc2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)c12 14975336 VLNXUZCOGPVFFS-UHFFFAOYSA-N 329.359 4.329 0 1 EIAF COc1cc2nc(C(=O)c3ccc(Cl)cc3)cn2c2ccccc12 28228718 JRTKJCRHCWQHMA-UHFFFAOYSA-N 336.778 4.381 0 1 EIAF C[C@@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 35565070 UJVLDDZCTMKXJK-IQHZCEOMSA-N 340.463 4.370 0 1 EIAF COc1ccc2c(c1)[C@H](C)N(C(=O)c1ccc(Cl)cc1)[C@H](C)CO2 73196183 ZJIORNPRXHJPSS-OLZOCXBDSA-N 345.826 4.333 0 1 EIAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2)oc1C 82162900 WJWXKJSLJSCVCG-UHFFFAOYSA-N 334.423 4.406 0 1 EIAF Cc1cccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)c1 169307888 IULFDZWGHZUGIS-IBGZPJMESA-N 344.418 4.252 0 1 EIAF Cc1cc(NCc2cccc(Cl)c2F)c2cccc(C(N)=O)c2n1 473090731 OYVZDAYGICYCFV-UHFFFAOYSA-N 343.789 4.047 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587067393 YCVCAEVHTMUFAF-UHFFFAOYSA-N 326.709 4.339 0 1 EIAF COC(=O)[C@H](C)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097740 NWSLFDZFQAODGJ-GFCCVEGCSA-N 345.398 4.340 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3ccnc(Cl)c3[nH]2)c(N)cc1F 587135759 DAKQTJRAFXMEPF-UHFFFAOYSA-N 334.782 4.177 0 1 EIAF CN(C)c1ncccc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 587195862 LPENFTNNYZNIJX-UHFFFAOYSA-N 330.391 4.483 0 1 EIAF CCCCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587379870 YIPDTUDXIWZTTF-OAHLLOKOSA-N 347.846 4.242 0 1 EIAF COc1cc2c3c(c1)O[C@@](/C=C1/CCCO1)(c1ccccc1)[C@@H](C2)C3=O 587452059 IRZTXDBRPCORAJ-LKZHWEMQSA-N 348.398 4.032 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1OC)CC2=O 587467227 PEODOGDMUNFASZ-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF C[S@](=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531206 GQQTZXODWXIUTL-DVECYGJZSA-N 340.444 4.009 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ncc2[nH]1 587925984 DZFOKLPMVLSQOR-LLVKDONJSA-N 331.803 4.170 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4cc(N)c(N)cc4[nH]3)ccc2c1 587935224 QVXZTLYYBZCWPX-LLVKDONJSA-N 332.407 4.041 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3c(C)nccc3[nH]2)cc1 587936811 MCEDBWLLTRNVIB-IBGZPJMESA-N 329.403 4.455 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(C)Oc3cc(N)ccc32)N1 962944918 GEZWJHTYIQOHCV-IVZQSRNASA-N 345.446 4.214 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCC[C@H](c3nccn3C)C2)N1 962958574 UTRIJBPJZZSODT-DMPWYTOCSA-N 348.494 4.379 0 1 EIAF Cc1noc(C)c1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 962998771 VVUXYTCAJZMIDT-LJQANCHMSA-N 339.464 4.070 0 1 EIAF CCCCCC=CCC=CC=C[C@@H](O)C=C[C@@H](O)CCCC(=O)O 2356836327 KZQRVAKWSSAWBB-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF COCc1cccc(-c2csc([C@@](C)(O)c3ccccc3)n2)c1 61906261 WTCZZIUDQPRGNX-IBGZPJMESA-N 325.433 4.212 0 3 EIAF COC(=O)C[C@@](C)(O)CCc1cc2c(c(C)c1C)CCCC2(C)C 13387758 PQYDJGGHLJPBDM-NRFANRHFSA-N 332.484 4.164 0 1 EIAF biogenic c1ccc2c(c1)CCC[C@H]2CCCN1CCN(C2=NCCCC2)CC1 13745347 TUSMXFKAPZNQSR-FQEVSTJZSA-N 339.527 4.087 0 1 EIAF CC[C@H]1CN(C)CC[C@@H]1CCC(=O)c1ccnc2ccc(OC)cc12 14684823 MPRQXZAUJGRFNI-HOTGVXAUSA-N 340.467 4.184 0 1 EIAF biogenic C[C@@H](CCc1ccccc1)NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1 26568631 XHAVKNKCVAKHJX-JQRITLKVSA-N 347.808 4.464 0 1 EIAF N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccccc4)cc3[C@@H]21 27442751 SGGAMCSSHSTAJH-LMNJBCLMSA-N 348.446 4.031 0 1 EIAF O=C(NCc1ccccc1Cl)c1ccc(C(=O)C(F)(F)F)s1 34985054 DZVLJOBRBUAXRO-UHFFFAOYSA-N 347.745 4.077 0 1 EIAF C[Si](C)(C)c1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 196854921 HTBZEOIWLXKLGO-MRXNPFEDSA-N 331.438 4.028 0 1 EIAF CC(C)CC(=O)C[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 299820216 CRIBAFCISJZAOF-NRFANRHFSA-N 338.403 4.405 0 1 EIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncccc3[nH]2)cc1 586881044 STHSQQROYRRVQG-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF C[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCCO1 586990417 DURSEBQSRQTBAV-OAQYLSRUSA-N 331.371 4.177 0 1 EIAF Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 587029660 RRVPPUJJAUAEON-UHFFFAOYSA-N 336.420 4.021 0 1 EIAF Clc1ccccc1OCc1ccc(-c2nc3ncncc3[nH]2)cc1 587063795 XNNYJKDESXCNKR-UHFFFAOYSA-N 336.782 4.252 0 1 EIAF Fc1ccc(-c2nc3cc(Cl)ccc3[nH]2)nc1Br 587155844 UDSBWVNDNMYPPJ-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF CSCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369734 OFOFUARJXUJJNR-PKOBYXMFSA-N 346.423 4.402 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(C)c1)O2 587375690 FIEQJNWPEFLRMH-INIZCTEOSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)noc1C)O2 587393971 CGXPSCMBMSZJSE-KRWDZBQOSA-N 334.375 4.247 0 1 EIAF CCc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585777 GDPRULUMLKCTPW-GHTZIAJQSA-N 347.370 4.053 0 1 EIAF Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3C)c(C(F)F)[nH]c12 587624704 SBTHWQCHVXBGJP-UHFFFAOYSA-N 337.757 4.340 0 1 EIAF COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 587629394 NUZGYUIVYGSQGK-UHFFFAOYSA-N 349.720 4.122 0 1 EIAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)c2cccc(C)c2n1 587652742 HKWSWSOJRCTSCX-UHFFFAOYSA-N 335.794 4.204 0 1 EIAF Cc1c[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587790080 HATOUGAYFRKHRS-FVMDXXJSSA-N 337.236 4.157 0 1 EIAF COc1ccc(CCC(=O)c2ccc3c(c2O)CCC(C)(C)O3)cc1 2356493523 VVSXPJKALFEASW-UHFFFAOYSA-N 340.419 4.320 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@]21C 2356582347 GBHOTPKNLQPMRP-JEOGCQQLSA-N 330.424 4.028 0 1 EIAF Cc1ccc(C(=O)N2[C@@H]3C=C[C@@H](C3)C2(C(F)(F)F)C(F)(F)F)cc1 128579 GUAQAAUEJQSNKZ-NWDGAFQWSA-N 349.274 4.259 0 1 EIAF CCCN1CC[C@H]2c3c(cccc3C(=O)NCc3ccccc3)CC[C@H]21 13740527 WODGNNDXZXXSSM-TZIWHRDSSA-N 348.490 4.131 0 1 EIAF CN1C[C@@H](CC(=O)c2ccccc2)CC[C@@H]1CC(=O)c1ccccc1 33832313 AHSYGTGCCMEKRI-YLJYHZDGSA-N 335.447 4.243 0 1 EIAF biogenic COc1ccc(-c2noc(-c3cccnc3)n2)cc1OC1CCCC1 43120440 UPGUEVIAAJHAGR-UHFFFAOYSA-N 337.379 4.129 0 1 EIAF CC(=O)c1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cc(C)ccc12 49050165 WDGAVGRJUGLDPX-UHFFFAOYSA-N 347.823 4.043 0 1 EIAF CCc1cc2c(s1)Nc1cc(C)ccc1N=C2N1CCN(C)CC1 53092958 MABIPRXOTXEGCU-UHFFFAOYSA-N 340.496 4.002 0 1 EIAF Nc1nc2c(c(Nc3ccc(Cl)cc3F)n1)-c1ccccc1C2 59111544 WHCQIGNZIYEVMT-UHFFFAOYSA-N 326.762 4.166 0 1 EIAF COc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)cc1 72103556 LKVCDDMCMDFKKR-IBGZPJMESA-N 325.795 4.028 0 1 EIAF C=CC1=C(C(=O)NCC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)OC1 73224477 GZCOQFRSCGAMJT-INIZCTEOSA-N 340.250 4.320 0 1 EIAF Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccco2)o1 82166147 SRGHMTSBYMPDDQ-UHFFFAOYSA-N 332.363 4.312 0 1 EIAF CC(C)N(Cc1cnc[nH]1)c1cccc(OC(F)(F)C(F)F)c1 96177509 QGPOPHWOIBLJLR-UHFFFAOYSA-N 331.313 4.061 0 1 EIAF CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 141446414 YUEVEZWXYBGVTF-KVLUDUALSA-N 345.527 4.301 0 1 EIAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O 169720242 VZDCHEBCDWQLCF-NSPYISDASA-N 346.398 4.412 0 1 EIAF CCC(=O)N[C@H]1CCCc2c(-c3ccc(Cl)c(F)c3)cncc21 205717159 BTXHAHICPWSTRI-KRWDZBQOSA-N 332.806 4.445 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586888002 JZQCBHJLNXWVDY-JTSKRJEESA-N 346.430 4.040 0 1 EIAF Sc1nc(S)c2nc(-c3cccc(-c4ccsc4)c3)[nH]c2n1 587027247 SKAFYSNATBVYFE-UHFFFAOYSA-N 342.474 4.326 0 1 EIAF Nc1ccnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 587095263 UCHQBLQGQHWHEC-UHFFFAOYSA-N 346.234 4.245 0 1 EIAF Cn1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C(F)(F)F)c1 587112276 LFGMCYYXIDKQJS-UHFFFAOYSA-N 334.223 4.001 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587420926 NFIDHMAAOPPINE-YVEFUNNKSA-N 334.293 4.203 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CCC(=O)O)CC2=O 587488509 KIEORQPQRGWRTJ-ZUOKHONESA-N 346.423 4.104 0 1 EIAF O=C1C[C@@H](c2ccnc(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 587512310 CHSIPKGBXSKBER-FQEVSTJZSA-N 348.446 4.267 0 1 EIAF Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515072 JAWIXAPXHGXFIO-LJQANCHMSA-N 332.403 4.159 0 1 EIAF CCCn1nc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587515658 NPJMIXLMGYQPSP-LJQANCHMSA-N 338.451 4.495 0 1 EIAF O=C1C[C@@H](c2cncc3cnccc23)Oc2c1ccc1c2CCCC1 587515776 RGMIOBVKRVKTLX-FQEVSTJZSA-N 330.387 4.215 0 1 EIAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cc1 587637427 IUDBKPUDUQNQSH-UHFFFAOYSA-N 329.302 4.343 0 1 EIAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)o1 587638579 NWCHZXBXURHGHW-UHFFFAOYSA-N 337.253 4.180 0 1 EIAF COc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1OC 587930234 NPPAKZFFZYSNID-ZUOKHONESA-N 338.407 4.034 0 1 EIAF Cc1cccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)n1 962693423 BPLODOLYWAUKPD-MGPUTAFESA-N 342.483 4.156 0 1 EIAF CCOC(=O)CCSc1nnc(-c2ccc(Cl)cc2Cl)o1 1857547923 YRXPBXCAFVXTJD-UHFFFAOYSA-N 347.223 4.089 0 1 EIAF CC=C1CN2CC[C@H]1C[C@@H]2[C@H](F)c1ccnc2ccc(OC)cc12 1857548447 HAKUILZBSSTRRO-VHKYSDTDSA-N 326.415 4.295 0 1 EIAF CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@H]2CC[C@H]34)C1 2356597122 VFPYOBOSZJFCKD-FAZHRNDASA-N 342.571 4.469 0 1 EIAF CCc1ccccc1NC(=O)C1=C(C)C(=O)OC12CCCCCC2 6933559 JOJAMUHNQFKDIB-UHFFFAOYSA-N 327.424 4.154 0 1 EIAF COc1cccc(-c2coc3ccc(Br)cc3c2=O)c1 8689909 CRRPYKAYJXVMSR-UHFFFAOYSA-N 331.165 4.231 0 1 EIAF CCN1CC/C(=C\c2cc(C(C)C)c(O)c(C(C)C)c2)S1(=O)=O 13558291 CYZGXTDKKJOBBQ-OQLLNIDSSA-N 337.485 4.035 0 1 EIAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2 15045535 QOCOQHXHEBGZNB-VHKYSDTDSA-N 332.440 4.316 0 1 EIAF biogenic CC(C)c1cc(C=O)c2c(c1O)O[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C 15159275 WICUQKGNEKIQJS-WSTZPKSXSA-N 332.440 4.123 0 1 EIAF biogenic CCOc1cc2c(cc1O)CCC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26478903 YKWFKECYXRUOES-QOGIMEQTSA-N 330.468 4.398 0 1 EIAF CSCSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40747032 WWCOUQDEXRRTEL-FCSMHUMXSA-N 330.515 4.035 0 1 EIAF Clc1ccc(-c2cn3nc(OCC4CC4)ccc3n2)c(Cl)c1 72175002 LPJCJTCTOHMHEJ-UHFFFAOYSA-N 334.206 4.492 0 1 EIAF Cc1cc(Br)c2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1 82156198 XUSPNKGURAYEMI-UHFFFAOYSA-N 347.237 4.119 0 1 EIAF O=C(NC1CCCCCC1)c1ccc(C[S@@](=O)c2ccccc2)o1 82230780 ZTXZWUDRQJIMBO-DEOSSOPVSA-N 345.464 4.040 0 1 EIAF Cc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169699976 OPPDTNXAPSWOGR-UHFFFAOYSA-N 336.366 4.403 0 1 EIAF C[C@@H]1CCC2=C(CCC[C@]2(C)C(=O)O)[C@@]1(C)CCC1=CC(=O)OC1 238786494 BECCHEIVZOVMDH-CWVNLOTRSA-N 332.440 4.257 0 1 EIAF CCCC[C@@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253633200 FGOHBHQHFAYLCZ-PGXPYBRUSA-N 336.472 4.089 0 1 EIAF c1ccc(-c2nc(OCCCN3CCCCC3)cc(C3CC3)n2)cc1 299823634 RNKXLZYTCOUXPR-UHFFFAOYSA-N 337.467 4.276 0 1 EIAF Oc1nc2c(n3ccnc13)Cc1c(-c3cccc(Cl)c3)cccc1-2 299863927 QIJMTILYZNVSEC-UHFFFAOYSA-N 333.778 4.327 0 1 EIAF Oc1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587018148 XKVUJMDAYFBHHI-UHFFFAOYSA-N 328.784 4.107 0 1 EIAF Cc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Cl 587176835 UZTGXPRDCXLZTB-UHFFFAOYSA-N 326.762 4.461 0 1 EIAF Nc1ccc2c(c1Br)-c1nc3cccc4c3c(c1C2)CC4 587208071 KYUIAEPYFIIDHK-UHFFFAOYSA-N 337.220 4.249 0 1 EIAF COc1cccc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587412161 MFVXQHFGKMQYMJ-FQEVSTJZSA-N 337.375 4.213 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)c(OC)c1)CC2=O 587476820 GKAZHTIXRNDOJC-IBGZPJMESA-N 326.392 4.368 0 1 EIAF O=C1C[C@@H](c2cc(-c3ccccn3)[nH]n2)Oc2c1ccc1c2CCCC1 587527681 VGOPYDRHQKOQOZ-FQEVSTJZSA-N 345.402 4.057 0 1 EIAF CC[C@@]1(/C(C)=C/OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808537 OJNFXDXWSLLQGF-AJXQNLJNSA-N 342.252 4.278 0 1 EIAF CC[C@@]1(/C(C)=C/OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812481 ZMHVGHNZINWYNR-WSVWDFQCSA-N 342.252 4.278 0 1 EIAF CCCC[C@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813788 PUQLQCWBYRPYBA-MGPLVRAMSA-N 342.252 4.097 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(C)cc2[nH]1 587926516 HXMGEJMIUFTVSE-CQSZACIVSA-N 340.423 4.439 0 1 EIAF Cc1ccc([C@@]2(C3CCCC3)NCCc3c2c(C(C)C)nn3C)cc1 962914328 SRDBDLWRZLEYHK-JOCHJYFZSA-N 337.511 4.431 0 1 EIAF C[C@@H](Nc1nc(-c2ccncc2)nc2cnccc12)c1ccccc1 1857571355 AHTPVTIKZGWRFS-CQSZACIVSA-N 327.391 4.260 0 1 EIAF Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccsc4)nn3c2)cc1 1857599318 ASAAPYFHEGMTAZ-UHFFFAOYSA-N 349.419 4.410 0 1 EIAF COC(=O)CC=C[C@H](C)[C@@H](OC)c1cc(F)ccc1Br 1857621884 RPBLHNKNTOKICO-ZUZCIYMTSA-N 345.208 4.031 0 1 EIAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]21O)[C@@]3(C)[C@@]12CCC[C@@H]1CC[C@H]4C2 2356374221 QJXRSIRLKXZTIH-UOPYSQNESA-N 344.495 4.067 0 1 EIAF Cc1ccc(Cl)cc1-c1cc(C(=O)NCC2CCCCC2)[nH]n1 61906100 CTVHKSLRBSFFKN-UHFFFAOYSA-N 331.847 4.349 0 3 EIAF COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1O 14760184 LRXBLKKDUMOEFS-CABCVRRESA-N 344.451 4.475 0 1 EIAF biogenic CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 15659170 YZZLWRCPCIMEHR-RABCQHRBSA-N 325.537 4.088 0 1 EIAF CN1CCC2(CC1)CN(c1ccccc1N)c1cc(Cl)ccc12 28108001 WDIVQBOMJZSYDO-UHFFFAOYSA-N 327.859 4.037 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2C)N3C)cc1 36177299 SUEIJSZDTKIXCI-FCIYXJNOSA-N 349.474 4.475 0 1 EIAF CO[C@@H](C)CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1 40392331 LCQMEUVWVNWEOX-LBPRGKRZSA-N 342.420 4.081 0 1 EIAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(O)cc12 40413138 GFVMKJRSXGOVRH-UHFFFAOYSA-N 329.783 4.294 0 1 EIAF C[C@@H](c1ccccc1)N1CCC2(CC1)O[C@H](CCO)c1ccccc12 66258315 IXURNWHCTYEQAY-LAUBAEHRSA-N 337.463 4.193 0 1 EIAF c1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 72128554 UREHORFQXIZWNH-UHFFFAOYSA-N 326.469 4.149 0 1 EIAF COc1cc(-c2nnc(SCc3ccccc3C)o2)ccc1O 84689730 JLIXDNYGUJKUPZ-UHFFFAOYSA-N 328.393 4.052 0 1 EIAF C/C=C1/[C@@H]2C[C@H]3c4c(c5ccccc5n4[C@@H](C2)O[C@H]1OC)CCN3C 238789380 JBSGCOASAIDQQP-MOGZGXQHSA-N 338.451 4.028 0 1 EIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCCC(C)(C)C4)[C@H]3C=C12 504375219 MWMPYXXDHZQTTO-NIRMNWTQSA-N 343.511 4.343 0 1 EIAF biogenic CC[C@H]1OCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586912813 PIHDDEDXWSKJAD-GMSGAONNSA-N 345.187 4.276 0 1 EIAF CCc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006426 JPTQNPAVHFQZOC-UHFFFAOYSA-N 341.212 4.203 0 1 EIAF CN(C)CCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104003 LVNRQFIYLJPZKY-UHFFFAOYSA-N 330.431 4.331 0 1 EIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cccc2[nH]1 587148098 ZUUJBULFIJSCEI-UHFFFAOYSA-N 328.297 4.048 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587161857 RTVBIBNUVXXSSY-MNOVXSKESA-N 332.281 4.295 0 1 EIAF NCc1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587246726 UVOUWDAMCVLAMC-UHFFFAOYSA-N 325.721 4.361 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1CCCCF)[C@@H](C2)C3=O 587423013 HSGUIRKBUFEUBT-UWJYYQICSA-N 340.394 4.476 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)c(C)nn1CC)CC2=O 587463168 VMMCYGZKCRHYKP-OAHLLOKOSA-N 348.830 4.229 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccnc1C 587866184 XDVSPLCCIZDOJI-UHFFFAOYSA-N 348.328 4.055 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cc(Br)cnc3[nH]2)c1 587932270 RSYVYRGNUDTSEA-JTQLQIEISA-N 346.228 4.075 0 1 EIAF O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1 653729208 FFCXLZDZMZNEAM-UHFFFAOYSA-N 348.276 4.074 0 1 EIAF Cc1cccc(CC[C@]2(C3CC3)NCCc3nc4ccccn4c32)c1C 962998242 UAKPAGDQCKNFRV-HSZRJFAPSA-N 345.490 4.335 0 1 EIAF Cc1ccccc1-c1cn2c(-c3ccc(N(C)C)cc3)cnc2cn1 1857595518 ZPIRZXOAMBEQMS-UHFFFAOYSA-N 328.419 4.438 0 1 EIAF C[C@@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CN(C)C2=O 2356807302 WFNNOZZRFPORKZ-LRTDBIEQSA-N 343.467 4.318 0 1 EIAF O[C@H](c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61908716 PMCVCOUVHGFEBI-OAHLLOKOSA-N 336.288 4.316 0 3 EIAF CO[C@@H]1CCC(=O)[C@H](C)[C@]12CCC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](O)CC[C@]21C 263591001 XWOZYZGXGDQFHL-KUDXDXAASA-N 348.527 4.364 0 3 EIAF C[C@H]1CCCN1CCCOC(=O)c1ccc(O[C@H]2C=CCCC2)cc1 4416769 RJLFAHVSQRMLJK-HKUYNNGSSA-N 343.467 4.205 0 1 EIAF CCCCC[C@H](O)/C=C/C1=CCC(=O)[C@H]1CCCCCCC(=O)O 14680655 PUIBPGHAXSCVRF-UAIJGWENSA-N 336.472 4.424 0 1 EIAF in-vitro CC1(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CCCCC1 29054328 NOLSQKHQZWSPLG-PTNGSMBKSA-N 331.437 4.360 0 1 EIAF O=C1c2ccc(O)cc2CC[C@@H]1Cc1ccc(Br)cc1 34053381 MPBTZIZBXTZBIR-CYBMUJFWSA-N 331.209 4.143 0 1 EIAF N=C(NCc1ccc(Cl)c(Cl)c1)SCCCc1c[nH]cn1 42922112 CIIDBUDXODMZQH-UHFFFAOYSA-N 343.283 4.107 0 1 EIAF C[C@@H]1CCCN1CCCOC(=O)c1ccc(O[C@@H]2C=CCCC2)cc1 254135618 RJLFAHVSQRMLJK-IEBWSBKVSA-N 343.467 4.205 0 1 EIAF COc1cc(OC)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 587021806 RQMAZOGAIPRSDS-UHFFFAOYSA-N 340.408 4.007 0 1 EIAF O[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058625 HNTKHILVQCVLEW-CYBMUJFWSA-N 326.705 4.317 0 1 EIAF CC(C)Oc1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 587162426 CDNPUKGJZGSXEP-SFHVURJKSA-N 327.403 4.140 0 1 EIAF O=C(/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 587167544 UTMRCTGZHGFDPV-FPLPWBNLSA-N 349.287 4.373 0 1 EIAF Fc1ccc2c(-c3nc4cncc(Br)c4[nH]3)coc2c1 587175532 UFKCSMLFZUIERL-UHFFFAOYSA-N 332.132 4.273 0 1 EIAF OCc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196766 WPMFIPNJEXNQLY-UHFFFAOYSA-N 343.430 4.262 0 1 EIAF Cc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 587209617 UOUGJVKBPWUOKL-UHFFFAOYSA-N 336.822 4.476 0 1 EIAF CCOC(=O)[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2 587211331 DUOXYRFIZFNPRG-SFHVURJKSA-N 331.415 4.223 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-n3ccnc3)c1)CC2=O 587468605 AALNZJYLYQTGJJ-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF COCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522398 LPSFVHVBQWWMQA-QFIPXVFZSA-N 336.431 4.463 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C1CC1 587574925 CUIJNMKSCHLAED-GHTZIAJQSA-N 347.370 4.232 0 1 EIAF Brc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cn1 587961025 PIYULMOOSBGHIQ-RYUDHWBXSA-N 328.213 4.067 0 1 EIAF c1ccc2c(c1)C[C@H](CN1CCC3(CCc4ccccc43)CC1)CO2 653741218 SNUYVAGJPNKKOA-GOSISDBHSA-N 333.475 4.218 0 1 EIAF O=Cc1ccc2[nH]cc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)c2c1 963092243 KAYGOYCCGAPQRD-IERDGZPVSA-N 334.394 4.229 0 1 EIAF O=Cc1ccc2[nH]cc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c2c1 963092264 KAYGOYCCGAPQRD-KKSFZXQISA-N 334.394 4.229 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(F)c(O)c(OC)c1 963226177 GTIOGZFPPVHXQY-ORAYPTAESA-N 329.415 4.286 0 1 EIAF Oc1ccc2c(c1)[C@]1(CCc3cc(Cl)cc(Cl)c3C1)NCC2 963329348 MKVOISSPPIBMRB-GOSISDBHSA-N 334.246 4.229 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(C(C)(F)F)cc1 963612129 RYYSZYROGNKWMV-BLVKFPJESA-N 347.405 4.439 0 1 EIAF CCOc1ccccc1O[C@@H](c1ccccc1)[C@H](OC)c1ncc[nH]1 2356678688 PJDSAPORFHURTH-OALUTQOASA-N 338.407 4.316 0 1 EIAF CCCCC[C@H](O)C=CC=C[C@@H](CCCCCCC(=O)O)CNC 2356775629 OHARIIBWMLIIBY-MOPGFXCFSA-N 339.520 4.301 0 1 EIAF O=C(NC1CCCC1)c1oc(=O)c2ccccc2c1-c1ccccc1 4972026 LKGPCLPDXQKVTN-UHFFFAOYSA-N 333.387 4.132 0 1 EIAF Cc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12 13680015 VUDYPGANXBOBOC-UHFFFAOYSA-N 336.210 4.033 0 1 EIAF O=C(CS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)s1 28874776 UCKLAHPQMXBFHF-UHFFFAOYSA-N 342.441 4.072 0 1 EIAF COc1ccc(/C=C2\OC(=O)C(Cl)=C2c2ccc(OC)cc2)cc1 33917543 VJTMJQGMNZNPAM-WJDWOHSUSA-N 342.778 4.252 0 1 EIAF Nc1cc(F)ccc1Nc1ccc2c(c1)Cc1ccccc1CC2=O 49114076 ATQKVKPCFMBSJH-UHFFFAOYSA-N 332.378 4.481 0 1 EIAF Sc1nnc(COc2ccc(Cl)cc2)n1CCc1ccccc1 64528108 TXZCNPXPFZXNBR-UHFFFAOYSA-N 345.855 4.042 0 1 EIAF C[C@H](Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1 72124993 NDVHKKMBFMZILW-MRXNPFEDSA-N 343.434 4.242 0 1 EIAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C3CC3)nc2n1 73313275 TZMPAXWVWBRVRY-UHFFFAOYSA-N 333.317 4.073 0 1 EIAF CC(C)(C)c1cc(C(=O)Nc2ccccc2)n(Cc2ccccc2)n1 73387843 FWCSXKSIXVAWIJ-UHFFFAOYSA-N 333.435 4.481 0 1 EIAF COc1ccc(CNc2cc(-c3cccc(C)c3)ncn2)cc1OC 82162039 YSBZHTLRLRQFFU-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF COc1ccccc1-n1nc(CCCO)cc1-c1ccc(Cl)cc1 84668653 COPZTRCABXDXJH-UHFFFAOYSA-N 342.826 4.126 0 1 EIAF Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccc(F)cc2)n1 96273843 PLBPWJZVBRBTHU-UHFFFAOYSA-N 346.312 4.242 0 1 EIAF C[C@H]1NC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@H]13 118913761 PHYSDIZFXRPRAH-PRHZQJPMSA-N 342.571 4.467 0 1 EIAF CCC1(c2ccccc2)OCC([C@@H](c2ccccc2)N(C)C)CO1 169323016 AFWUVUMQSXXSAS-VEDCXYSMSA-N 325.452 4.215 0 1 EIAF Fc1cc(-c2cccnc2)cc2c1-n1c(nnc1-c1ccccc1)CC2 299857547 FKWIJCMIYXUMPV-UHFFFAOYSA-N 342.377 4.234 0 1 EIAF COc1cc2c(c(OC)c1OC)[C@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@@]13C 299859330 XARRBGSEIVYBJW-UTQQSMSJSA-N 344.451 4.490 0 1 EIAF COc1cc(OC)c2c(c1OC)[C@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@@]13C 299859942 ZGQMUEAEHZNHCF-GDMOEJLQSA-N 344.451 4.490 0 1 EIAF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1Br 586976896 IQIYJGZQZVBZCC-UHFFFAOYSA-N 345.196 4.284 0 1 EIAF CCOC(=O)[C@@H](F)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995392 JNMGWEOEJWIZOC-SFHVURJKSA-N 349.361 4.328 0 1 EIAF Clc1ccc(-c2nc(-c3nc4c(Cl)ncnc4[nH]3)cs2)cc1 587015487 FLETZCGRFCKPBT-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF c1ccc(C[C@H]2N[C@H](c3nc4ccc5c(c4[nH]3)CCCC5)CS2)cc1 587041983 RAGQLJRGRKLQSL-OALUTQOASA-N 349.503 4.388 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2nc(Cl)c(Cl)cc2[nH]1 587060200 FOWABSDMJAAAPY-UHFFFAOYSA-N 341.585 4.170 0 1 EIAF Fc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1Br 587177006 ZBJXUYFJOMCIQT-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF COc1cccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587205222 NXEINHXGEAUIKZ-CQSZACIVSA-N 347.459 4.053 0 1 EIAF COc1cc(C)c(N)c(-c2nc3cc(C)c(Br)cc3[nH]2)c1 587250466 PHQNICGROPIUCH-UHFFFAOYSA-N 346.228 4.200 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cc(F)ccc3o1)O2 587384324 JXWTVIFJXKULRM-IBGZPJMESA-N 325.339 4.343 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1N)O2 587388531 DFZGYLYRGRUSOP-QFIPXVFZSA-N 344.414 4.068 0 1 EIAF CCOC(=O)C[C@@]1(CCCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587397653 AFKIQGYYMUUYSD-HXUWFJFHSA-N 347.455 4.061 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCN(C3CCCC3)CC1)CC2=O 587475406 NZYBAQJAPSTCCF-UHFFFAOYSA-N 343.467 4.087 0 1 EIAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)c1ccc(OC)cc1)CC2=O 587476194 FDETYURWZZTZOI-XCLFUZPHSA-N 340.419 4.491 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C2CC2)N1 587758982 ZEEYBIWDIXJMSA-BMLIUANNSA-N 349.247 4.348 0 1 EIAF Cc1c(F)ccc2c1[C@@H](c1cnc(C(F)(F)F)cc1Cl)NCC2 962296327 GAAPMAFVJPPSEM-OAHLLOKOSA-N 344.739 4.436 0 1 EIAF Cc1nc(NC(=O)c2ccccc2)c2nc(-c3ccccc3)sc2n1 1857535559 LPOBTRHTHNJVJG-UHFFFAOYSA-N 346.415 4.314 0 1 EIAF Fc1cc2[nH]c(Cn3ccnc3)nc2cc1Oc1ccc(Cl)cc1 1857755106 DIWVDZPFPPWEHB-UHFFFAOYSA-N 342.761 4.393 0 1 EIAF CCCCCC=CC[C@@H](O)[C@@H](O)CC=CCC=CCCCC(=O)O 2356621017 LRPPQRCHCPFBPE-MOPGFXCFSA-N 338.488 4.382 0 1 EIAF O=C(c1cccc(F)c1)N1Cc2nc3ccccc3n2-c2ccccc21 205860651 IDSAAOUISLWQGP-UHFFFAOYSA-N 343.361 4.325 0 3 EIAF CC(=O)c1c(C(F)(F)F)nc(C(F)F)c(C(=O)O)c1CC(C)C 267111 JLVNGGXQQLDDSM-UHFFFAOYSA-N 339.260 4.137 0 1 EIAF COc1ccccc1-c1c(Cl)nc(Cl)c(=O)n1-c1ccccc1 383885 KRHRKTSXZCAWAI-UHFFFAOYSA-N 347.201 4.215 0 1 EIAF CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6935744 ASUAEXCJBUDWAN-UHFFFAOYSA-N 331.847 4.070 0 1 EIAF COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 7871382 RSZXOUVRGTXHJE-QTBWCZOLSA-N 338.432 4.237 0 1 EIAF Cc1ccc([C@@H](C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 13863218 XZFSNXXZUYDNQE-GFCCVEGCSA-N 340.810 4.190 0 1 EIAF CCOC(=O)/C(C)=C\c1cc(Cc2cccnc2)n(C(C)(C)C)c1 27993133 BWKBYXYFUGAXNF-GDNBJRDFSA-N 326.440 4.195 0 1 EIAF c1ccc2c(c1)OC[C@H](c1nc3cc(-c4ccncc4)ccc3[nH]1)O2 49066824 ZBHBALGCRCAEBS-LJQANCHMSA-N 329.359 4.137 0 1 EIAF Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 52962005 TVLLCWBBMXDYLI-QGZVFWFLSA-N 346.478 4.427 0 1 EIAF C=CC1=C(C(=O)NC(C)(C)C)[C@H](c2ccc(Cl)c(Cl)c2)OC1 82158405 JIWSZCMXMZJQOI-HNNXBMFYSA-N 340.250 4.462 0 1 EIAF CN(C)c1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1 95921387 ODFGOBPLQKLCRM-UHFFFAOYSA-N 326.403 4.425 0 1 EIAF in-vitro Clc1ccc([C@]2(CCOC3CCC3)[C@H]3CNC[C@H]32)cc1Cl 101980219 JTZODQOWHKXAGE-HALDLXJZSA-N 326.267 4.040 0 1 EIAF Clc1ccc([C@H]2OCCc3c2noc3CO[C@@H]2CCCCO2)cc1 103188416 YHHJJXKJZHSDPB-SJLPKXTDSA-N 349.814 4.033 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1cccs1)c1cccs1)C2 103233185 ZWDDMBUPVUAOHG-QDMKHBRRSA-N 333.522 4.308 0 1 EIAF Cc1nn(C(=O)/C=C/c2cc(F)ccc2F)c2c1[C@H]1[C@@H](C2)C1(C)C 103235017 VOPPTSSZEHYATR-HWRORLEJSA-N 328.362 4.119 0 1 EIAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12 113982741 FCOBGDQSHXUNQQ-UHFFFAOYSA-N 333.322 4.129 0 1 EIAF Clc1cccc(Cn2cnnc2-c2ccc3[nH]cnc3c2)c1Cl 118803959 HWTWTVHIHSRDEY-UHFFFAOYSA-N 344.205 4.177 0 1 EIAF Cc1ccncc1-c1ccc2cc(NC(=O)[C@H]3CC3(F)F)ncc2c1 144438722 DMUUIELIZUQQGM-MRXNPFEDSA-N 339.345 4.199 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 169309319 WGPZAVZHAGYUOL-KJZYVHILSA-N 331.500 4.055 0 1 EIAF CCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3C)cc1 169326654 DHCSNTCLGCXMCW-UHFFFAOYSA-N 336.439 4.141 0 1 EIAF Cc1cc(Br)cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586888729 XQZKKAMSPREPIU-WOPDTQHZSA-N 345.240 4.273 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)cc2[nH]1 587088600 PSPSTRAKHIXMKG-VIFPVBQESA-N 342.187 4.075 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3ccc(Cl)nc3[nH]2)c(N)cc1F 587136203 LFDQJDFSCVAGEV-UHFFFAOYSA-N 334.782 4.177 0 1 EIAF Oc1nc(O)c2ccc(-c3ccc(-c4cccc(Cl)c4)cc3)nc2n1 587368749 OCDSRHPUCMMVKW-UHFFFAOYSA-N 349.777 4.423 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccccc4F)c1)[C@@H](C2)C3=O 587426088 KKRNSJGMFQCQOO-YCRPNKLZSA-N 349.361 4.114 0 1 EIAF Cn1cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1 587516873 FQPXMYDTSTYZDE-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF Cc1cc(C)nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587771977 MRILXMXOJJVMIR-PIGZYNQJSA-N 349.247 4.224 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587829334 QHMFRWCDKPBBRF-ZKANADHPSA-N 338.220 4.422 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c2)cc1 587934561 CVIKMCYMRXWBJI-UHFFFAOYSA-N 342.402 4.190 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587936259 KFOYOTFQNTWTAS-APPDUMDISA-N 330.815 4.370 0 1 EIAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(N)ccc23)c1 1857618793 RKLKQBCZFNRQNG-UHFFFAOYSA-N 345.418 4.180 0 1 EIAF CC(=CCOC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 2356464884 DGCWJFKFFFAUKS-UHFFFAOYSA-N 340.379 4.430 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](O)[C@]2(C)[C@@H]1C 2356590508 QJKGZNSDXBIUKZ-HJWMZSJCSA-N 332.440 4.108 0 1 EIAF CCN1c2ccccc2-n2c(C)nnc2-c2c(-c3ccccc3)n[nH]c21 5742071 RCHBGWDCBBTEBV-UHFFFAOYSA-N 342.406 4.104 0 1 EIAF CNCCC[C@@H]1Cc2ccccc2N(c2cccc(Cl)c2)C1=O 6716520 SVXFDINGBNILGI-OAHLLOKOSA-N 328.843 4.177 0 1 EIAF CN(C)CC[C@H](OC(=O)NCc1ccccc1)c1ccc(Cl)cc1 13684800 YKCCSDJOKJMGIK-SFHVURJKSA-N 346.858 4.259 0 1 EIAF Nc1cccc(P(=O)(Oc2ccccc2)Oc2ccccc2)c1 27727854 CJCPJYQCUVSSBA-UHFFFAOYSA-N 325.304 4.245 0 1 EIAF in-vivo CCCC[C@]1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O 40917628 JWWHPQBXODTPRK-OAHLLOKOSA-N 329.227 4.276 0 1 EIAF CC[C@H](C)Sc1nc([C@@H](CC)c2c(F)cccc2F)cc(=O)[nH]1 72116404 OZVSZDNAISPGMO-WDEREUQCSA-N 338.423 4.481 0 1 EIAF CCN(CCN(C)C)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 72180322 SIPUOCUSIONTFY-UHFFFAOYSA-N 329.488 4.023 0 1 EIAF CCCn1nc(-c2ccnc(Nc3ccc(O)cc3)n2)c2ccccc21 84742122 PPOJLBOXSYWNCH-UHFFFAOYSA-N 345.406 4.353 0 1 EIAF Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccccc2)nn1 95555217 HRBPRXCFSGMZKV-SFHVURJKSA-N 332.432 4.348 0 1 EIAF CCO[P@](=O)(NC1CCCC1)Oc1ccc(C(F)(F)F)cn1 103146048 CKKFOUPBMZYTLQ-JOCHJYFZSA-N 338.266 4.156 0 1 EIAF CO[C@@H](C(=O)SC)c1cccc(COc2cc(C)ccc2C)c1 103177346 DYRARXSVLVMLKZ-GOSISDBHSA-N 330.449 4.460 0 1 EIAF Cn1ncc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)cccc21 169704874 ZUBKNAZCFHWQRU-CVEARBPZSA-N 334.423 4.031 0 1 EIAF CSc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587043410 ZHYORWFUCVRJDD-IRXDYDNUSA-N 341.505 4.231 0 1 EIAF COc1cc(-c2nc3cnccc3[nH]2)cc(Cl)c1OCC(C)C 587046589 XJWWAOCOYZGJBX-UHFFFAOYSA-N 331.803 4.322 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4CO)-c1ccccc1C2=O 587102200 TVVYYXZOCUYMJO-CYBMUJFWSA-N 329.399 4.167 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cnc3[nH]2)c1 587160913 IEHXJMKNYQPVID-VXGBXAGGSA-N 332.176 4.131 0 1 EIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccccc4[nH]3)c2)c1 587235155 MHTUTKVGSWLCRU-UHFFFAOYSA-N 341.414 4.180 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1N(C)C1CC1)O2 587385775 QAZMAVSHVLMTGX-IBGZPJMESA-N 340.398 4.021 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)c(F)c1)[C@@H](C2)C3=O 587425800 HRYIKGGNDNJELH-ORAYPTAESA-N 344.407 4.219 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]([C@H](C)O)(C1(C)CCCCC1)CC2=O 587479741 CKSSJGGVVIYDQI-QKKBWIMNSA-N 346.467 4.400 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 587952421 QMMKXUXUHFPHLH-NFOMZHRRSA-N 345.487 4.333 0 1 EIAF Cc1cccc(N2CCN(Cc3ccc4ncccc4c3)CC2)c1C 621476071 FMDHEMGKQWAZKY-UHFFFAOYSA-N 331.463 4.174 0 1 EIAF CCOC(=O)C[C@@]1(CC(C)C)c2ccc(F)cc2C[C@H]2CCCN21 963113462 UMLOSAQXNHTGMF-XLIONFOSSA-N 333.447 4.041 0 1 EIAF O=C1c2ccc(Cl)cc2C[C@H]1CCN1CCc2ccccc2C1 1772577974 UEMSZTJJYVOVMY-OAHLLOKOSA-N 325.839 4.143 0 1 EIAF Cc1cnc(NC(=O)CCCOc2ccc(C(F)(F)F)cc2)s1 1857606642 FWAZEKBHVCMYAC-UHFFFAOYSA-N 344.358 4.268 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@H]3CCC[C@H]1[C@@]32C 2356647172 DEFMCBVSKBZNPH-NJVUQXLSSA-N 344.407 4.173 0 1 EIAF O=C(O)c1cc2ccccc2n1C1CCN(Cc2ccccc2)CC1 203466370 GIUKSRJXOJVZKW-UHFFFAOYSA-N 334.419 4.177 0 3 EIAF CCN(CC)CCOCCOCC1(c2ccccc2)CCCCC1 3798566 NVCJQTBNHAYMTK-UHFFFAOYSA-N 333.516 4.264 0 1 EIAF CCOC(CSc1nc(-c2ccco2)c(-c2ccco2)[nH]1)OCC 27518389 VOYHTDJBOZXJFP-UHFFFAOYSA-N 348.424 4.421 0 1 EIAF CC(C)c1ccc(C(C)C)c([C@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1 27525333 WXEDORIXRNKDFZ-HNNXBMFYSA-N 347.480 4.102 0 1 EIAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N(C)C2 27724907 NRQIOYJXOKSZCR-LIRZEXBASA-N 335.875 4.106 0 1 EIAF CN(C)CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 28653922 PSHJHMPZCYKSJB-CWRQFWGNSA-N 342.870 4.162 0 1 EIAF CC(C)(C)c1ccc(NC(=O)c2ccc3sc(CO)nc3c2)cc1 34634555 VFESECGECASHDF-UHFFFAOYSA-N 340.448 4.338 0 1 EIAF O=C1C(c2ccc(Cl)cc2)=[N+]([O-])c2cc(C(F)(F)F)ccc21 45290063 LCDSAPVNQLLFRK-UHFFFAOYSA-N 325.673 4.186 0 1 EIAF O=C(O)C[C@]1(C2CC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49048874 XMJNHKOYRLWPKM-MRXNPFEDSA-N 340.206 4.127 0 1 EIAF N#Cc1ccc2nc([C@@H]3CCN(Cc4ccccc4Cl)C3)[nH]c2c1 51076819 DTZFRIKHCNUTEA-OAHLLOKOSA-N 336.826 4.077 0 1 EIAF biogenic Cc1ccc(-c2nc(SCCO)c3cc(Cl)ccc3n2)cc1 64531780 MSMXZQXKAXFQBJ-UHFFFAOYSA-N 330.840 4.343 0 1 EIAF CCC[C@H](O)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084139 WUNNJRANMRVXBI-JTQLQIEISA-N 333.335 4.014 0 1 EIAF COc1cc([C@H]2CC(=O)c3c(cc(C)c(Cl)c3C)O2)ccc1O 96927857 KFJKDGSKSDSMHI-CQSZACIVSA-N 332.783 4.378 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cc(F)c3[nH]1)C2 586884030 GHJWMWARTASDFU-GUBZILKMSA-N 349.203 4.103 0 1 EIAF CC1(C)[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]21 586989770 DYUXGVJTKFXRIV-DJJJIMSYSA-N 327.383 4.448 0 1 EIAF COC(=O)[C@@H](C)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587107710 UGIWJQPYQABTRO-LBPRGKRZSA-N 331.371 4.031 0 1 EIAF COc1cccc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 587137836 NPHJVMYPDOPKAG-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CC[C@@H]3C(=O)C1 587207026 HGZRRJSTRVGIIN-SMDDNHRTSA-N 325.367 4.380 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(Cl)cc31)O2 587379457 ISZDKQZDVUEVBH-IBGZPJMESA-N 343.810 4.264 0 1 EIAF O=C1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2N1 587522919 FWQISHQWSYCPTG-JOCHJYFZSA-N 347.414 4.158 0 1 EIAF COc1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523390 IRFMMDQXBBMWSA-HXUWFJFHSA-N 338.403 4.289 0 1 EIAF C[C@H](CC1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536867 XPLQZMLRGTXXNR-JLTOFOAXSA-N 328.452 4.352 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826914 GULVVFLBAQONGZ-ABKXIKBNSA-N 338.220 4.422 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCSC2)N1 587853620 AMWXSKWSUCUVBO-PSLIRLAXSA-N 342.277 4.227 0 1 EIAF COc1cccc2cc3c(nc12)[C@@]1(CCc2cccc(C)c2C1)NCC3 963058496 PEUNWPAULIFWCH-QHCPKHFHSA-N 344.458 4.082 0 1 EIAF O=Cc1ccc2[nH]cc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c2c1 963092235 KAYGOYCCGAPQRD-HRAATJIYSA-N 334.394 4.229 0 1 EIAF CC=Cc1cc(C)ccc1[C@H](C)[C@@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1 2356347751 YGJPBGVCODIPCC-XBHMSOGKSA-N 342.435 4.263 0 1 EIAF Cc1cccc(-n2c(C)nc3cc(C(=O)N4CCCCC4)ccc32)c1 216304 NJJSSLQPGXQLNP-UHFFFAOYSA-N 333.435 4.268 0 1 EIAF OCc1cc(Br)c(-c2ccc(O)cc2)c(-n2cccc2)c1 29414248 AFVMESRUTFHQMO-UHFFFAOYSA-N 344.208 4.105 0 1 EIAF CN(C)CCC[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 45261902 JVHLJFODPFQESI-SFHVURJKSA-N 330.859 4.153 0 1 EIAF CC(C)C[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 142167065 KYFXTTZDXSYKRG-HOCLYGCPSA-N 340.427 4.021 0 1 EIAF O=C(Nc1nc(-c2ccncc2)cs1)Nc1ccc(F)cc1F 165953412 HKQICAQUOHEHKD-UHFFFAOYSA-N 332.335 4.127 0 1 EIAF O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 169329792 ZYWQVCFNADPCTE-UHFFFAOYSA-N 328.437 4.202 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@@H]12 169335111 STSPSSDQNNGSJA-YRMDDYSZSA-N 340.555 4.005 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169335211 HQWPPVLSHLFTDY-XSUYJZTMSA-N 329.484 4.180 0 1 EIAF CN(C(=O)c1csc(-c2cccc(O)c2)c1)c1cccc(O)c1 169351561 BMLATAWGFHTLAF-UHFFFAOYSA-N 325.389 4.103 0 1 EIAF Cn1ncc2c(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)cccc21 169704860 ZUBKNAZCFHWQRU-HOTGVXAUSA-N 334.423 4.031 0 1 EIAF c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)s2)c1 225180668 SOQJJJGDYNTBMG-UHFFFAOYSA-N 331.510 4.325 0 1 EIAF CC(C)CCNC(=O)/C=C/C=C/CCCc1ccc2c(c1)OCO2 238752377 SWENTULCGZSDKG-WJDMQLPWSA-N 329.440 4.013 0 1 EIAF CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 261167839 SGXKUDSIRVCXTR-IZAXUBKRSA-N 340.511 4.399 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586888007 JZQCBHJLNXWVDY-VGOFRKELSA-N 346.430 4.040 0 1 EIAF Fc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012849 LKJYKMZKJQYQTI-UHFFFAOYSA-N 338.205 4.465 0 1 EIAF FC(F)(F)c1cc2nc(CSCc3ccsc3)[nH]c2cn1 587025597 HRDXMDKSPDMKNT-UHFFFAOYSA-N 329.372 4.472 0 1 EIAF COc1cnc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1Cl 587065227 WBTLUXZDXXTDLD-UHFFFAOYSA-N 343.692 4.186 0 1 EIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)cc2[nH]1 587079518 IOOHTEBYFGKQMJ-ZDUSSCGKSA-N 328.778 4.079 0 1 EIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Cl)ccnc2[nH]1 587115950 GTCCFWPBNZBSOF-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF Cc1c(Cl)ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177192 BXNZPZRWAXRAKD-UHFFFAOYSA-N 330.794 4.326 0 1 EIAF Nc1cccc(O)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587250844 SQTOJIFNEWUDSC-UHFFFAOYSA-N 331.375 4.097 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)C4CCC4)c1)[C@@H](C2)C3=O 587446466 XBAQRWSSQFXEPH-JTSKRJEESA-N 348.398 4.167 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4CCC1(C)C)[C@@H](C2)C3=O 587447221 NZNBYMHTQJDNJW-HTAPYJJXSA-N 334.415 4.311 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1F)CC2=O 587467920 UUBNKXBXJQXJDR-HNNXBMFYSA-N 336.309 4.469 0 1 EIAF Cc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587591447 VQPKTZMHLJXEJX-JXFKEZNVSA-N 335.359 4.040 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]2C1CCC1 587603998 QMAHLNMFMLURIP-XERREHJYSA-N 336.387 4.303 0 1 EIAF CC(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649187 KYZKBZWAZVETIK-UHFFFAOYSA-N 347.823 4.094 0 1 EIAF Cc1ccc(NCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587873249 DYZOPMOCTXPWMF-UHFFFAOYSA-N 337.354 4.164 0 1 EIAF COc1cc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)ccc1S 963102757 RYXZLUOURQYUDM-OXJNMPFZSA-N 343.467 4.407 0 1 EIAF CC(C)(C)OC(=O)Nc1nc(-c2cc(F)ncc2Cl)cs1 1857764734 MYSSXTDGZVCINP-UHFFFAOYSA-N 329.784 4.345 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@@]2(C)[C@H]1C 2356340834 ZDOYGSHCBQYFAX-NRJZREQNSA-N 332.440 4.108 0 1 EIAF CC(C)(C)c1cc(-c2cn3c(n2)S(=O)C=C3)cc2c1OCC2(C)C 22610 KXCBCUHXSKISHX-UHFFFAOYSA-N 342.464 4.067 0 1 EIAF CCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1 1631750 YFSZCRHYQXWOSH-UHFFFAOYSA-N 334.395 4.294 0 1 EIAF COc1ccc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc1OC 34582368 KLVQONDOFFKFBN-BHVCSQLQSA-N 340.419 4.393 0 1 EIAF biogenic,in-vitro O=C(Cc1cccc(Oc2ccccc2)c1)NCCc1ccc(O)cc1 43118569 ZTZBHALHLGTGOZ-UHFFFAOYSA-N 347.414 4.086 0 1 EIAF O=C(O)c1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45338611 QCCATGCMJIBZLX-LJQANCHMSA-N 341.370 4.443 0 1 EIAF CN(Cc1ccccc1)C[C@@H]1CCc2c(n(C)c3ccccc23)C1=O 59282399 ORZBNJCRRMDLGU-KRWDZBQOSA-N 332.447 4.055 0 1 EIAF CC1(c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2)CC1 66113049 GXUPXAQVIAICTO-UHFFFAOYSA-N 329.783 4.342 0 1 EIAF FC(F)(F)c1ccccc1-c1ccc(Cl)c(OC2CNC2)c1 96175892 YBYGWGWGNVETGJ-UHFFFAOYSA-N 327.733 4.376 0 1 EIAF CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(C(N)=S)cc2)cc1 149207642 ACMPXMOACUQISZ-CQSZACIVSA-N 341.476 4.228 0 1 EIAF Clc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1 169340316 QPSHXEURPXZWCM-UHFFFAOYSA-N 342.811 4.354 0 1 EIAF CCCCCc1c(Cc2ccc(CN)cc2)c2ccccc2[nH]c1=N 473122375 RSKHZRIAOPRERT-UHFFFAOYSA-N 333.479 4.430 0 1 EIAF Oc1cccc2c1OCC(c1nc3c(F)c(F)c(Cl)cc3[nH]1)=C2 586906828 ALGHIILIQPZAQU-UHFFFAOYSA-N 334.709 4.133 0 1 EIAF COc1cc(OC)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1 587017288 URFBQNJQLZYSCN-UHFFFAOYSA-N 341.392 4.272 0 1 EIAF Fc1cc(Cl)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043452 ZOTCGEWHUBXEFW-LSDHHAIUSA-N 347.846 4.302 0 1 EIAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587175456 DPTHWSWAWXUGAZ-UHFFFAOYSA-N 347.674 4.499 0 1 EIAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587250453 OZOJKAZDMNZBAI-UHFFFAOYSA-N 327.693 4.190 0 1 EIAF Cc1cc(=O)oc2c(OCC(=O)c3coc4ccccc34)cccc12 587280794 YRUBRKJOWIRKDN-UHFFFAOYSA-N 334.327 4.109 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)c(F)c1)O2 587384612 GDAKLOFFKAEBLZ-LJQANCHMSA-N 340.398 4.023 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccccn3)c1)O2 587393252 DFTQWGOTSUJREP-IBGZPJMESA-N 346.386 4.471 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3ncccc3C)C1)O2 587394263 SFXXQAZGSCYJBO-BTYIYWSLSA-N 336.435 4.342 0 1 EIAF COc1ccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1C 587397364 USMKFTBRZWWGQB-SFHVURJKSA-N 336.391 4.082 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426249 BSCAZPHHVZUUAX-MXTNKPTQSA-N 338.378 4.144 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nc(F)ccc13)CC2=O 587472426 QGNXSSPPRNJQSR-MRXNPFEDSA-N 340.354 4.067 0 1 EIAF O=C1C[C@@H](C(=O)c2cc(F)ccc2F)Oc2c1ccc1c2CCCC1 587505418 MZHWVMHLRDZZOH-SFHVURJKSA-N 342.341 4.060 0 1 EIAF O=C1C[C@@H](c2c[nH]nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 587523162 HDIYYQLFSABXND-IBGZPJMESA-N 345.402 4.057 0 1 EIAF Cc1ccccc1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876838 UEYVJJZQGZXDKO-UHFFFAOYSA-N 325.368 4.348 0 1 EIAF Cc1ccc([C@@]2(C3CC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1C 963037417 VNUCOPXJZZEOSE-QMHKHESXSA-N 346.474 4.010 0 1 EIAF O=c1c2sc3ccccc3c2nc2n1CCc1c-2[nH]c2ccccc12 1772581939 FJWCUJYGJQZFBA-UHFFFAOYSA-N 343.411 4.316 0 1 EIAF CCCCC[C@@H](O)C=CC1=CCC(=O)[C@H]1CC=CCCCC(=O)O 2356655249 CMBOTAQMTNMTBD-MSOLQXFVSA-N 334.456 4.200 0 1 EIAF CCCC[C@@H](N)CCCCCC[C@H](C=CC(=O)O)Nc1ccc[nH]1 2356747213 YCPNWQCUZMMNHP-IAGOWNOFSA-N 335.492 4.294 0 1 EIAF Clc1cccc(C2=NO[C@H](c3nnc(-c4ccccc4)o3)C2)c1 13660371 DSOBMRAAKRDTEM-HNNXBMFYSA-N 325.755 4.256 0 3 EIAF CC1=C(C(=O)Nc2cccc(Cl)c2)C2(CCCCCC2)OC1=O 6933047 OWKSLMBQCAAAHB-UHFFFAOYSA-N 333.815 4.245 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)C(=O)c1occc1CC3 14439733 HBYGDSOCXWYJLK-ZLGUVYLKSA-N 342.435 4.485 0 1 EIAF biogenic CC(C)[C@]1(C)SC(N[C@@H](C)c2cccc(C(F)(F)F)c2)=NC1=O 14953738 YZSCZYQSGGKTNN-BONVTDFDSA-N 344.402 4.400 0 1 EIAF CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(O)c2)cs1 28771020 KLVFDMVKNCAXRG-UHFFFAOYSA-N 347.490 4.250 0 1 EIAF CCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 31157323 QBQXEQFSIXTWPW-UHFFFAOYSA-N 326.392 4.391 0 1 EIAF biogenic CCCCC[C@H](O)/C=C/C=C/[C@H](CCCCCCC(=O)O)OC 33820459 FPDXRJMUHIDIMS-JUUANQEYSA-N 326.477 4.480 0 1 EIAF NC(=O)c1cc2c(-c3cccc(-c4ccccc4)c3)cnc(N)c2s1 40829541 FIFCMZNMAHBCDZ-UHFFFAOYSA-N 345.427 4.311 0 1 EIAF Cc1noc(-c2ccc3occ(-c4ccc([S@](C)=O)cc4)c3c2)n1 45301482 CCZYTZLJEVDQED-XMMPIXPASA-N 338.388 4.196 0 1 EIAF CNc1nc2cnc(Nc3cccc(OC)c3)cc2n1-c1ccccc1 74388508 OIIGJCCFRPHOBY-UHFFFAOYSA-N 345.406 4.214 0 1 EIAF NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1cccc2ccccc12 95582563 IPBTVEGUKBCCDA-LJQANCHMSA-N 331.444 4.235 0 1 EIAF CCOC(=O)c1c(-c2ccccc2)c2ccc(Cl)cc2oc1=O 96933093 AZRLMGWCJSYTGR-UHFFFAOYSA-N 328.751 4.290 0 1 EIAF COc1cc2c(cc1OC)-c1c(-c3ccccc3)c(C)cc(=O)n1CC2 96935347 FJCGJBAOTONWGB-UHFFFAOYSA-N 347.414 4.064 0 1 EIAF Cc1nc(Oc2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1 103185998 VKMCAYUEXMHQHT-UHFFFAOYSA-N 339.009 4.452 0 1 EIAF Fc1ccccc1Cc1cnc(-c2ccccn2)nc1N1CCCCC1 145573201 BFWDWKGJEXYILS-UHFFFAOYSA-N 348.425 4.259 0 1 EIAF Cc1cccc(Nc2sc(-c3ccccc3F)cc2C(N)=O)n1 169307005 LVLRUUAOYVXFQO-UHFFFAOYSA-N 327.384 4.100 0 1 EIAF CC[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 195410759 GTQKXNGZWXCFBI-VVFCZOMOSA-N 344.414 4.338 0 1 EIAF Cc1c(Br)ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586895533 LOQLFAJPQHCNGP-UHFFFAOYSA-N 349.272 4.218 0 1 EIAF Oc1nc2cc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3cc2[nH]1 587085260 PCBSTOGUFGWDAZ-UHFFFAOYSA-N 335.754 4.013 0 1 EIAF Oc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134814 PBATXDJYFQTPRN-RQOWECAXSA-N 326.224 4.134 0 1 EIAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3[C@@H]2C1)CC5 587211783 IIXMYIGQNYTINI-DZGCQCFKSA-N 336.435 4.155 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cc(C)c(Cl)c1C)O2 587374039 FUXFLDCJWFGGRS-OAHLLOKOSA-N 331.799 4.260 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4sc(C)nc4c1)[C@@H](C2)C3=O 587451068 HTKXMYFORZDYPW-ORAYPTAESA-N 337.400 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc(OCC)c1)CC2=O 587480725 PATLOAOXESUEHC-IBGZPJMESA-N 342.391 4.156 0 1 EIAF COc1cccc(CCc2nc3ccc(Br)c(C)c3[nH]2)c1 587931399 ONNWNQWPPMDYPO-UHFFFAOYSA-N 345.240 4.428 0 1 EIAF C[C@@H]1CC=CC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587966877 HRYXLFOAHIKVQG-HTQZYQBOSA-N 326.625 4.444 0 1 EIAF O=C(NCc1ccc(Cl)cc1)c1ccccc1CN1CCCCC1 1772573741 IKYPJLHJFWKRSN-UHFFFAOYSA-N 342.870 4.256 0 1 EIAF Cc1ccc(C(=O)NC(C)(C)c2ccccc2)c(NCc2ccco2)n1 1772600370 ACHUFOPJYFVZGX-UHFFFAOYSA-N 349.434 4.260 0 1 EIAF Fc1ccc([C@@H](Cn2cncn2)OCc2cccc(Cl)c2)c(F)c1 1857766418 ZFKQUMXLWVXEMJ-QGZVFWFLSA-N 349.768 4.168 0 1 EIAF CC(C)(C)c1coc([C@H]2COCCN2Cc2ccc(Cl)cc2)n1 2356317725 NMSSNZWEUBIXIN-OAHLLOKOSA-N 334.847 4.199 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@@H](C=C[C@H]3CCC[C@@H](C)N3)[C@@H]12 2356425126 GEQKTSPOTKEYOG-RLRKYXOPSA-N 331.500 4.077 0 1 EIAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)[C@H](O)C[C@H](O)C(C)C 2356731871 JMZZBVNSDNHLIV-FRYIKTPZSA-N 328.537 4.306 0 1 EIAF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]43C)(CC(=O)O1)C2 2356846224 OLJRAFPOAGIZKX-UPCYCFLOSA-N 334.456 4.170 0 1 EIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc(SC)c1 2356861367 UICDRBFKZMYNMQ-IJEWVQPXSA-N 334.485 4.077 0 1 EIAF Cc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1 13489732 FAGREBOKSNRJQA-UHFFFAOYSA-N 327.391 4.381 0 1 EIAF C[C@@H]1CC=C2[C@H](CCC[C@@]2(C)C(=O)O)[C@@]1(C)CCC1=CC(=O)OC1 15266587 SKTUTBQPNITOBA-NNSOFZPJSA-N 332.440 4.113 0 1 EIAF biogenic COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)oc23)cc1 28713398 YQJKQNWCGTXXBU-UHFFFAOYSA-N 346.386 4.440 0 1 EIAF O=c1c(Cl)c(OCc2ccccc2)ccn1Cc1ccccc1 38410661 ILUGJQHMRUPEDB-UHFFFAOYSA-N 325.795 4.129 0 1 EIAF Cn1cc(-c2noc(/C=C3/CCN4CCCC[C@@H]4C3)n2)c2ccccc21 84742578 CVWYLZGAEXTDCV-UGEDRFTOSA-N 348.450 4.260 0 1 EIAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1)S3 98082442 MBUJNOOGENJZOL-UHFFFAOYSA-N 334.404 4.151 0 1 EIAF Cc1ccc([C@H]2c3c(n[nH]c3C)Oc3nc4c(c(N)c32)CCCC4)cc1 299819090 ADHFLARBYXCUAR-KRWDZBQOSA-N 346.434 4.168 0 1 EIAF Fc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587042997 XCHSDKXYQNCKHY-UHFFFAOYSA-N 347.440 4.155 0 1 EIAF Cc1cc(C)n(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587104827 KHDSNOCAXWROSP-UHFFFAOYSA-N 339.398 4.308 0 1 EIAF Cc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1F 587109735 SZOAKLQEJYNEGF-UHFFFAOYSA-N 338.260 4.394 0 1 EIAF COc1cc(OC)c(-c2cc3c4c(cccc4n2)CC3)cc1C(C)=O 587214855 VWIZNHLDWWTSCS-UHFFFAOYSA-N 333.387 4.220 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(C)c1)O2 587375693 FIEQJNWPEFLRMH-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Cl)cnc3o1)O2 587380156 QBGNXBIXAZRFQN-HNNXBMFYSA-N 328.755 4.078 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCNc3ccc(Cl)cc31)O2 587380538 WBYZUUNZDPQLDF-LJQANCHMSA-N 342.826 4.297 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc([C@H](C)OC)cc1)[C@@H](C2)C3=O 587438399 FJOBIIOHBTVXGI-LJOBPSPCSA-N 338.403 4.065 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(O)c(F)c1)CC2=O 587466428 LQODDRNFLIYKBJ-HXUWFJFHSA-N 344.382 4.460 0 1 EIAF CCn1cc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587514069 FHAIEPQHWJJCAF-NRFANRHFSA-N 338.451 4.361 0 1 EIAF C[C@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587525296 VAMKNYKMUXBRMQ-HIFRSBDPSA-N 344.451 4.267 0 1 EIAF CCOc1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527464 WWCDNYVJUQPEJZ-HXUWFJFHSA-N 338.403 4.376 0 1 EIAF Cc1ccc([C@]2([C@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529090 ITKHHGAGRFCGHZ-OYHNWAKOSA-N 336.431 4.115 0 1 EIAF Cc1cc(C=O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587529440 CFXUYFPMNCVTMH-IBGZPJMESA-N 336.387 4.098 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NCc1ccc(F)cc1 587629988 CKYDQAUNQYKWON-UHFFFAOYSA-N 334.753 4.338 0 1 EIAF Cc1nn(C)cc1-c1[nH]c2cc(F)ccc2c1C(=O)C(F)(F)Cl 587633463 FIADQQHUMUHYOC-UHFFFAOYSA-N 341.720 4.030 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccn2)N1 587773293 QEMABDVEKREKNX-GTNSWQLSSA-N 349.247 4.191 0 1 EIAF Cc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587773298 QIDZNYRISAAGLP-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccs2)N1 587853746 RIILWTAIYCOUAR-CLAHSXSESA-N 326.234 4.273 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCSC2)N1 587857561 RQFACFBWGLWPLE-BJOHPYRUSA-N 342.277 4.227 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)c1 587931377 IJRGIEBTJFVARV-UHFFFAOYSA-N 346.386 4.103 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 587950647 BTSCGFUPDFBZNV-NFOMZHRRSA-N 339.439 4.189 0 1 EIAF COC(=O)c1ccnc2[nH]c([C@H](C)Oc3ccc4ccccc4c3)nc12 587951802 RVOAFPSYGQWKGH-LBPRGKRZSA-N 347.374 4.038 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cccc(Cl)c1 963051703 FPDNSYVSKSMCGT-FQEVSTJZSA-N 338.838 4.306 0 1 EIAF Clc1cc(Cl)c2c(c1)[C@@]1(C=Cc3ccccc3OC1)NCC2 963101309 ADQYIZJWBPEGJR-SFHVURJKSA-N 332.230 4.440 0 1 EIAF CCC[C@@]1(c2ccsc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963613120 UATYHNQXNQXFHL-YJYMSZOUSA-N 331.481 4.343 0 1 EIAF C[C@@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 5437404 UJVLDDZCTMKXJK-RSBIIAMVSA-N 340.463 4.370 0 1 EIAF Brc1ccc2c(c1)[C@H]1CN(Cc3ccccc3)C[C@H]1CO2 26161984 UEDNWQXXCKIYMD-YOEHRIQHSA-N 344.252 4.057 0 1 EIAF COc1ccc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)oc2c1 40860192 JICYPLYILIGPHN-NVNXTCNLSA-N 339.372 4.476 0 1 EIAF O=C(CCc1ccc(Cc2ccccc2)cc1)OC[C@H]1CCCCO1 84632159 AZCQQNAUGLPHGR-OAQYLSRUSA-N 338.447 4.322 0 1 EIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Cl)cc1Cl 117718108 YZWPNJRYEPOABE-GFCCVEGCSA-N 335.234 4.323 0 1 EIAF CCCCNc1cc([C@H](O)C[C@H]2CCCCN2)c2ccccc2n1 169334906 UCRYWDNWWGAQFH-DNVCBOLYSA-N 327.472 4.012 0 1 EIAF Cc1cc(COc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1 169346024 AKAXKIDEHNWBNG-UHFFFAOYSA-N 344.418 4.254 0 1 EIAF Cc1cc(COc2cc(C)nn2C2CCCC2)n(-c2ccccc2)n1 169346035 AJGMDJIMOUFCCX-UHFFFAOYSA-N 336.439 4.380 0 1 EIAF COc1ccc(-n2cc(O)c(-c3nc4ccccc4s3)c2N)cc1 169689917 CTTHCRRXPVURTI-UHFFFAOYSA-N 337.404 4.050 0 1 EIAF Oc1cc(Cl)ccc1Oc1ccc(Cn2ccnn2)cc1Cl 169701479 URYLBENRERBXMY-UHFFFAOYSA-N 336.178 4.131 0 1 EIAF Clc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3)[nH]n2)cc1 205112227 PKOLLVWCJWWZKW-IBGZPJMESA-N 339.826 4.058 0 1 EIAF O=C(O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894754 TTYPYXVAHUPVNX-UHFFFAOYSA-N 332.444 4.307 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ncc(F)cn3)nc3cccc1c23 587103318 FKSWXKKJBWECIL-UHFFFAOYSA-N 327.318 4.042 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587132687 JGTBWUQULNBLMD-UHFFFAOYSA-N 332.203 4.073 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587151592 RYDLTOSAGZIAPL-SNVBAGLBSA-N 346.333 4.158 0 1 EIAF CCOC(=O)c1cc(-c2cc3c4c(cccc4n2)CC3)c(C)nc1C 587211651 HNOZABFPIXKEIO-UHFFFAOYSA-N 332.403 4.189 0 1 EIAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2CC4)-c2ccccc21 587214863 WENKHJNPXVWMOL-SFHVURJKSA-N 329.399 4.203 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3c(C)nccc3[nH]2)cc1 587936813 MCEDBWLLTRNVIB-LJQANCHMSA-N 329.403 4.455 0 1 EIAF CS(=O)(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587969657 UQTZVRDLAYONMZ-FMIVXFBMSA-N 348.427 4.290 0 1 EIAF c1cc(-c2cc(CNCC3CCNCC3)sc2-c2ccoc2)co1 1857565319 YWZQPMAEQKMCHK-UHFFFAOYSA-N 342.464 4.357 0 1 EIAF C[C@@]12CC3CC(NC(=S)NCc4ccccc4)(C1)C[C@](C)(C3)C2 1857752620 IUJLQEFMRBBWRF-JUNHRQJPSA-N 328.525 4.400 0 1 EIAF Brc1ccc(-n2cncc2-c2ccc3c(c2)OCO3)cc1 1911585067 YZAGFPYOZKVLNI-UHFFFAOYSA-N 343.180 4.031 0 1 EIAF O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1 429168 NHKCYUAXXKYVSG-UHFFFAOYSA-N 326.739 4.157 0 3 EIAF aggregator Cc1cc2nc(C)n(CCCNC(=O)Nc3ccccc3)c2cc1C 4919470 ZKKMNRNYRJELNX-UHFFFAOYSA-N 336.439 4.173 0 3 EIAF COc1ccc(C(=O)[C@H]2CCCN(CC3CCCCC3)C2)cc1OC 11840975 MHYQHWLKERVOMZ-SFHVURJKSA-N 345.483 4.179 0 3 EIAF CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CC3)cc1 6509 CJAWPKAYKMKKAD-UHFFFAOYSA-N 340.419 4.490 0 1 EIAF Cc1nc2cc(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)ccc2n1C 471181 XJDLLAUVYPUPNQ-FOIQADDNSA-N 340.471 4.314 0 1 EIAF C[C@@H]1[C@@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 4148172 LKJVKHWUCSHASQ-VOZBZGINSA-N 328.799 4.356 0 1 EIAF CC(=O)Nc1ccc(C[P@@](=O)(O)O[C@@H](C)c2ccccc2)cc1 6487654 YPTMOJMDCPUCJT-ZDUSSCGKSA-N 333.324 4.108 0 1 EIAF in-vivo Cc1ccnc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)c1 28713272 DTANQDSROUTHIL-DKENDCILSA-N 328.481 4.012 0 1 EIAF Fc1cccc(SCc2nnc(-c3ccc4c(c3)CCO4)o2)c1 40893402 JRIYUDDXWUVJRF-UHFFFAOYSA-N 328.368 4.103 0 1 EIAF Cc1ccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 82083724 KYXZMALCKBBTEO-MRXNPFEDSA-N 325.437 4.289 0 1 EIAF CC1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccncc1 84615911 YGOLYIYBCZPKGV-LZYBPNLTSA-N 346.217 4.190 0 1 EIAF COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc(OC)c(O)c2)cc1O 136422215 FHAGEYRSWPQEQJ-KBPBESRZSA-N 330.424 4.172 0 1 EIAF O=C(CCc1ccccc1)N[C@H]1CC[C@H](c2ccc(O)c(F)c2)CC1 253660823 SEQPRQVDYIFAIS-SAABIXHNSA-N 341.426 4.307 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1nccn1 253696965 DQFSOCQBGGWYNF-YFWFAHHUSA-N 339.483 4.053 0 1 EIAF COc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Cl 587008378 VILKCYRBDKXAAG-UHFFFAOYSA-N 327.565 4.247 0 1 EIAF COc1cnc(-c2nc3c(Br)cccc3[nH]2)cc1Cl 587064248 GJQXNBFWVUDRNG-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF CCOc1n[nH]c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Cl 587064596 DAYZUXROVDDWBI-UHFFFAOYSA-N 348.687 4.163 0 1 EIAF COc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(Cl)n1 587083991 QFZKVMXSQBVSDT-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Cc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Cl 587130964 UEVCHAXFBCSISR-UHFFFAOYSA-N 342.773 4.143 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)cn1)[C@@H](C2)C3=O 587435465 HCKLNNONAVTUGN-HTAPYJJXSA-N 343.382 4.246 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCC[C@@H]1C 587623299 FCPFXVMIGKYAKF-VIFPVBQESA-N 347.260 4.494 0 1 EIAF CCOC(=O)CCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629920 NUDURQBMOHHTRX-UHFFFAOYSA-N 337.700 4.475 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(=O)C(C)(C)C)N1 587811446 GEJJWNDKUGEJCJ-BXKDBHETSA-N 342.252 4.169 0 1 EIAF CC1=CC2(C=C(C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 587828888 ATTDZNCGIIQYKL-SECBINFHSA-N 338.220 4.156 0 1 EIAF COc1ccc(Br)c(-c2nc3cc(C)c(C)cc3[nH]2)c1O 1251020286 JGWJKXUAKPTLMZ-UHFFFAOYSA-N 347.212 4.323 0 1 EIAF CC(=O)c1ccc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)s1 1857581891 MYHSPWKZNSIOAK-UHFFFAOYSA-N 337.448 4.328 0 1 EIAF Fc1cccc(F)c1CNc1ccc2c(-c3cccnc3)noc2n1 206054935 AVWMPJUJKUIWKZ-UHFFFAOYSA-N 338.317 4.175 0 3 EIAF Oc1ccc(Cl)cc1-c1oncc1-c1ccc2c(c1)OCCO2 518845 KTRRKQJCVJLKGG-UHFFFAOYSA-N 329.739 4.139 0 1 EIAF biogenic COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)o1 26666030 ZOJWWDNUFPQGEH-UHFFFAOYSA-N 336.413 4.378 0 1 EIAF CCCCn1c(=O)c2nc(-c3ccccc3)n(C)c2c2ccccc21 27330044 MXCGMRXTJMPJFC-UHFFFAOYSA-N 331.419 4.355 0 1 EIAF CC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@H]1C2 27422814 WCMXBAGNWHQRAC-MLWVWPRPSA-N 342.479 4.410 0 1 EIAF CN1CCN([C@H]2CC[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28013937 CCLCNKBKEJUGFP-NQIIRXRSSA-N 342.433 4.179 0 1 EIAF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2ccco2)n1 34817150 JSLKPGPZWIAUGT-BFUOFWGJSA-N 336.778 4.372 0 1 EIAF CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144812858 RUTZVOQVFGSKEP-GOSISDBHSA-N 344.336 4.349 0 1 EIAF CC(C)CCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169365669 DXPXPTSTQIBWMJ-BGMRAPHESA-N 336.472 4.270 0 1 EIAF O=c1[nH]c(O)c(Cc2ccc(Oc3cccc(Cl)c3)cc2)s1 169722676 UASIYEQXJJZSOB-UHFFFAOYSA-N 333.796 4.179 0 1 EIAF CCCCC[C@H](O)CCC[C@H](CCCCCCC(=O)O)[S@](C)=O 196754021 SRFGUIZCVKITPM-QQMNAOGKSA-N 348.549 4.270 0 1 EIAF CC(C)CNC(=O)/C=C\CCCC/C=C/c1ccc2c(c1)OCO2 205794670 PAXQNYHJDFKFEU-ZWOQCJTASA-N 329.440 4.317 0 1 EIAF CC(C)(C)c1cc(-c2cn3c(n2)[S@@](=O)C=C3)cc2c1OCC2(C)C 253752338 KXCBCUHXSKISHX-DEOSSOPVSA-N 342.464 4.067 0 1 EIAF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccc(OC)cc1 299845192 PDYNYWNQALHFBR-VMBXEPDQSA-N 334.415 4.395 0 1 EIAF O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccccc3)ccc21 377836352 FSLNVEHLFDYCNS-UHFFFAOYSA-N 345.407 4.126 0 1 EIAF Fc1cnc(Br)c2nc(-c3cc4c(s3)CCC4)[nH]c12 587036976 PZNBFVZIRQAXFQ-UHFFFAOYSA-N 338.205 4.077 0 1 EIAF CN[C@H](c1cccnc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587223605 CNINPEDJWULYBA-LJQANCHMSA-N 330.391 4.059 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc3ccccc3s1)O2 587414879 PEPAIEQBFAKGRD-LJQANCHMSA-N 338.432 4.154 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587446195 UYOUAKBDPGHLRE-AVRDEDQJSA-N 334.415 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1F)CC2=O 587465978 IMSFPINYBRZNQE-KRWDZBQOSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(F)cc1)CC2=O 587469151 XAFGVRYAVZMQGI-OAHLLOKOSA-N 328.383 4.450 0 1 EIAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587772604 OOJWNSAUBVTKPV-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF CCCC[C@@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587815128 YRAFGOCTSLQKKB-HWPZZCPQSA-N 342.252 4.097 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3c(OC)nccc3[nH]2)cc1 587930147 DLBWDMVAFXSXRQ-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF Sc1nc(S)c2nc(/C=C/c3cccc4ccccc34)[nH]c2n1 587969472 UGKBZNSZEJGDTN-CMDGGOBGSA-N 336.445 4.254 0 1 EIAF Cc1ccc(-n2cccc2[C@@H]2NCCc3c2c(C(C)C)nn3C)cc1C 962924252 WYCVEZHFHBQMEG-QFIPXVFZSA-N 348.494 4.186 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc2c(c1)OCCCO2 963097692 GEWKYSHLTWOOOV-DYESRHJHSA-N 339.410 4.097 0 1 EIAF C[C@@]1(c2ccc3[nH]c(O)cc3c2)c2ccc(F)cc2C[C@H]2CCCN21 963099511 HXQJVTLFSZFKJN-DYESRHJHSA-N 336.410 4.297 0 1 EIAF Cc1ccc(C(=O)Nc2ccc(-c3cccc([C@@H]4CCO4)c3)cn2)cn1 1772605721 YIUHVVITYJEOBV-IBGZPJMESA-N 345.402 4.166 0 1 EIAF Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)nc2)n1 1857774175 SSQGUNLQSXARJD-UHFFFAOYSA-N 338.436 4.019 0 1 EIAF O=C(O)CCCC=CCC=CC=C[C@H](O)CC=CCCCCCO 2356376194 NUPDGIJXOAHJRW-IBGZPJMESA-N 336.472 4.160 0 1 EIAF CN1C[C@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c34)C[C@@H]21 2001655 VCRAKEDGLIINLR-KUHUBIRLSA-N 347.487 4.225 0 1 EIAF biogenic COc1ccc(-c2nc3c4ccccc4ccc3n2[C@@H](C)CO)cc1 27656659 LKZSQHXOHSVDKD-AWEZNQCLSA-N 332.403 4.418 0 1 EIAF COc1ccc(Oc2ccc(Cl)cc2Cl)c(CC(=O)O)c1 28766469 MUGZNEAGAVYKMW-UHFFFAOYSA-N 327.163 4.421 0 1 EIAF COc1ccc(NC(=O)Nc2ccnc3c(F)cccc23)cc1OC 71342101 IRUVJBFFZAJVGY-UHFFFAOYSA-N 341.342 4.035 0 1 EIAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 95555308 DZPXGKJWGJRSKF-UYAOXDASSA-N 344.861 4.303 0 1 EIAF O=C(C1=CCc2ccccc21)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 96169320 PVQFEAURNKVICH-IRLDBZIGSA-N 329.443 4.347 0 1 EIAF Cn1s/c(=N/c2ccc(Br)cc2)nc1-c1ccccc1 103169476 YUAJCCCKCLPUKU-BMRADRMJSA-N 346.253 4.144 0 1 EIAF O=C(Nc1ccc(CC[C@H]2CCCN2)cc1)c1cccc(Cl)c1 117731670 KGNFUKAKSJPFKX-QGZVFWFLSA-N 328.843 4.277 0 1 EIAF CCCCNc1cc([C@@H](O)C[C@H]2CCCCN2)c2ccccc2n1 169334904 UCRYWDNWWGAQFH-BEFAXECRSA-N 327.472 4.012 0 1 EIAF Cc1cccc(CNc2cc(C)nc3c(-c4ccccc4)c(C)nn23)n1 473154239 FOWXWSUQAFDBBT-UHFFFAOYSA-N 343.434 4.329 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2cccc(Br)c2[nH]1 586882094 JZZXBDOLXFUERQ-CMDGGOBGSA-N 343.180 4.090 0 1 EIAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ncc[nH]c-4n3)c2)c1 587049884 NBPZWWBXBFRIAQ-UHFFFAOYSA-N 334.766 4.104 0 1 EIAF Cc1ccn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587097215 MIPGAEREUGFCSJ-UHFFFAOYSA-N 339.398 4.308 0 1 EIAF CC[C@@H]1C(=O)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101889 WXGZDIZOEFKWME-GFCCVEGCSA-N 327.383 4.373 0 1 EIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775077 YSWAGONNJKTPHH-APPDUMDISA-N 349.247 4.089 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4c(C)ccnc4[nH]3)c2)c1 587933331 YMOARGQJYRVSGS-UHFFFAOYSA-N 331.375 4.315 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc2c(c1)OCCCO2 963097706 GEWKYSHLTWOOOV-UTKZUKDTSA-N 339.410 4.097 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]12COc1c(cccc1OC)C2 963240629 KXMLLHVZVHSLMX-ZHRRBRCNSA-N 337.463 4.182 0 1 EIAF Cc1nc2c(cc1-c1ccc(O)cc1)cc1c3c(c[nH]c32)CCN1C 1857551870 QIMFUKFOPJCZFJ-UHFFFAOYSA-N 329.403 4.389 0 1 EIAF C[C@]12CC[C@@H]3C(=O)O[C@H](c4ccco4)C[C@]3(C)[C@@H]1CCC=C2C(=O)O 2356407088 OVBSRGHUSFLVGK-QTAXSFQDSA-N 344.407 4.111 0 1 EIAF Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@H](C)c1ccon1 12758656 QOTGWTHYHFKJJV-LLVKDONJSA-N 331.803 4.484 0 3 EIAF Brc1cccc(Nc2ncnc3ccc4nc[nH]c4c23)c1 3815222 ZCTBHAZSEIICRJ-UHFFFAOYSA-N 340.184 4.012 0 1 EIAF O=c1oc2ccccc2c(O)c1CCCOc1cccc(Cl)c1 13738203 CPKNYKBLZUNQBK-UHFFFAOYSA-N 330.767 4.164 0 1 EIAF CCOc1cc2c(cc1O)CCC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26478920 YKWFKECYXRUOES-SCMUXVNPSA-N 330.468 4.398 0 1 EIAF COc1cc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O 28707414 QDBUCXMBHJMGCN-HIGYNYDNSA-N 328.408 4.268 0 1 EIAF in-vivo CCCOc1ccc2ccc(=O)oc2c1CN1CCc2ccccc2C1 29062861 ULLCAFUJPDAGQT-UHFFFAOYSA-N 349.430 4.140 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@@H](O)C[C@H]21 34300450 HWUVPJJFVCOYPE-UYWIDEMCSA-N 330.468 4.484 0 1 EIAF biogenic Oc1cc(Nc2c(-c3ncccn3)oc3cnccc23)ccc1Cl 64746574 XNYZWJDKGDUFBJ-UHFFFAOYSA-N 338.754 4.387 0 1 EIAF in-vitro CN1CCC(n2ccc3cc(NC(=N)c4cccs4)ccc32)CC1 72105364 NWWYETOECIPWOT-UHFFFAOYSA-N 338.480 4.407 0 1 EIAF O=C1CCc2cc([C@@H](c3ccccc3)c3ccncc3)cc3c2N1CC3 95595015 XTUAMKWTONRPOP-QFIPXVFZSA-N 340.426 4.097 0 1 EIAF Cc1cc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2[nH]1 117624502 KHWMGRISTVXPQI-CTNGQTDRSA-N 330.431 4.421 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 169639607 NITWZXGUPPFECT-WMTHBMECSA-N 330.424 4.257 0 1 EIAF O=C1CCC[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)CC1 586883924 IYDRMEKIHKDLCJ-MRVPVSSYSA-N 325.181 4.081 0 1 EIAF FC1(F)Oc2cc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3cc2O1 586885169 KMZHPBNTKWDGGX-SGTLLEGYSA-N 340.329 4.256 0 1 EIAF COc1cc(/C=C\c2nc3ccc(C)nc3[nH]2)ccc1Br 586977744 RIGPEXBBNOOMTO-YVMONPNESA-N 344.212 4.208 0 1 EIAF Fc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979827 WKYUZPQYDVSZGY-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Clc1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc2ccccc12 587085815 JHALJVYRXAPBFC-UHFFFAOYSA-N 337.766 4.203 0 1 EIAF Fc1ccc(-c2nc3c(Cl)cccc3[nH]2)nc1Br 587155340 KOEWCOLMBSXKPS-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF COc1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cn1 587240256 HNLFMJPROPSADU-UHFFFAOYSA-N 346.390 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc(Cl)ccc31)O2 587378227 AVCFXWGOLQRBSF-LJQANCHMSA-N 343.810 4.264 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccn4)cc1)[C@@H](C2)C3=O 587436248 OWZGPIKMHFNRCU-JTSKRJEESA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1O)CC2=O 587476987 CYUDZDMNRLTBMH-SFHVURJKSA-N 342.391 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)CC(C)(C)C[C@H]1C 587487268 ZQHPIDKTUKDKKH-ODXCJYRJSA-N 330.424 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn3ccc(C)cc3n1)CC2=O 587488042 GNTVUCPQHWCEKX-SFHVURJKSA-N 336.391 4.007 0 1 EIAF CCCC[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522434 LVCQDBOTPXWDGQ-HXUWFJFHSA-N 330.424 4.023 0 1 EIAF O=C1C[C@H](c2ccc3oc(=O)ccc3c2)Oc2c1ccc1c2CCCC1 587532851 PWRIWQVRQFBAMV-HXUWFJFHSA-N 346.382 4.378 0 1 EIAF CCOc1ccccc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 587780415 SJSAOLYEROVPMA-UHFFFAOYSA-N 338.194 4.242 0 1 EIAF CS[C@H](C)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587842646 VHMVMGPGBHSFIB-SBMIAAHKSA-N 332.282 4.305 0 1 EIAF COc1ccc(CCCc2nc3ccc(Cl)cc3[nH]2)c(OC)c1 587929276 UQILKYMGTPCAKQ-UHFFFAOYSA-N 330.815 4.409 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1c[nH]c2nccc(Cl)c12 963110163 QPPRZXUJOWRKFS-ACJLOTCBSA-N 341.817 4.465 0 1 EIAF CC1(C)CC(=O)c2c(Cc3ccccc3)nc(-c3ccccn3)nc2C1 1772575625 JWTRPEPPPIATNH-UHFFFAOYSA-N 343.430 4.285 0 1 EIAF Cc1ccc(N2C(=O)COc3ccc(-c4ccc(O)cc4)cc32)cc1 1857614081 MTHIHJSNXDLNIF-UHFFFAOYSA-N 331.371 4.425 0 1 EIAF C[C@@H]1CC(=O)c2c(coc2-c2c(O)ccc3c2OC(C)(C)C=C3)[C@@H]1O 14587368 SRUGXOLNOMJETJ-BMLIUANNSA-N 340.375 4.092 0 1 EIAF biogenic CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 15659172 YZZLWRCPCIMEHR-SIRBJWHBSA-N 325.537 4.088 0 1 EIAF CN1CCN([C@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1 22937759 OUTQVQKOJHLKNN-ICSRJNTNSA-N 326.871 4.164 0 1 EIAF CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27328771 IIHABLPIAUHBTM-UHFFFAOYSA-N 347.205 4.265 0 1 EIAF Nc1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)n1 27736908 IJVQOHSLHQSQHS-UHFFFAOYSA-N 326.787 4.117 0 1 EIAF CNC(=S)Nc1cccc(OCCCCCc2ccccc2)c1 40430788 KHEKJOJARDRGLW-UHFFFAOYSA-N 328.481 4.395 0 1 EIAF C/C(=C/COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 238735959 DGCWJFKFFFAUKS-QINSGFPZSA-N 340.379 4.430 0 1 EIAF O=C1CSc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2N1 587044220 SBPMLKLYVCDAGU-UHFFFAOYSA-N 331.400 4.427 0 1 EIAF Cn1cc(-c2nc3cccc(Br)c3[nH]2)c(C(F)(F)F)c1 587111856 IHOBNFXLAOUZDU-UHFFFAOYSA-N 344.134 4.350 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 587170687 DVTRIWNVFHFJBE-SNVBAGLBSA-N 330.384 4.296 0 1 EIAF Cc1ccc(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1N 587251060 XNFAOXSBGSNAGP-UHFFFAOYSA-N 337.320 4.397 0 1 EIAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)c1coc3ccc(Cl)cc13)OC2=O 587276938 XMODELLYCDKATK-MSOLQXFVSA-N 332.783 4.391 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(Cl)c1Cl)O2 587374165 HFQPOLXTYKSYTI-CYBMUJFWSA-N 338.190 4.296 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423515 UWFQEKIJLVYVPP-OXJNMPFZSA-N 340.806 4.328 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1C(C)(C)C)CC2=O 587480683 FZWPJAPOBRQZSW-INIZCTEOSA-N 328.412 4.072 0 1 EIAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617020 OBGHRWUNFNUQTI-YLJYHZDGSA-N 336.343 4.251 0 1 EIAF Cc1nn(-c2ccccc2)cc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963088546 FQKCSYBFHGVJDD-XMSQKQJNSA-N 347.437 4.430 0 1 EIAF Fc1ccc2c(c1)[C@@]1(C=CO2)NCCc2c(Cl)cc(Cl)cc21 963101471 BHMJWNCSFIDFQR-KRWDZBQOSA-N 336.193 4.428 0 1 EIAF CN1C=C(C(=O)N2CCCCC2)C=CC1=CC=C1C=Nc2ccccc21 1857622178 RBGGXWZHTJIADV-UHFFFAOYSA-N 345.446 4.068 0 1 EIAF Fc1ccc(-c2cnc([C@H]3COCCN3C3CCCCC3)[nH]2)c(F)c1 2356300423 WLCXEEZJSATXFB-GOSISDBHSA-N 347.409 4.061 0 1 EIAF O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCN12 1100827 AFDRRYWYTXYOJI-LGMDPLHJSA-N 336.416 4.155 0 1 EIAF O=C(N[C@@H](c1ccccc1)C1CCCCC1)OCCCc1c[nH]cn1 13490981 HRBGUFPRCCRUJW-IBGZPJMESA-N 341.455 4.390 0 1 EIAF COc1ccc2cc([C@](O)(c3ccc(F)cc3)c3cccnc3)oc2c1 13680604 HBDRSBZVRRBXMY-NRFANRHFSA-N 349.361 4.260 0 1 EIAF O=C(Nc1ccc2c(c1)CC[C@@H]2O)c1cc2cc(Cl)ccc2[nH]1 13977452 HPKCHEFEFGVMOJ-KRWDZBQOSA-N 326.783 4.053 0 1 EIAF COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(OC)c(OC)c2)ccc1O 14760179 NNYAKQAKXHZMKI-CABCVRRESA-N 344.451 4.475 0 1 EIAF biogenic CCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N)c1 26978919 FJUIICXYIIRUCU-UHFFFAOYSA-N 342.443 4.465 0 1 EIAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2C[C@H](C)N[C@H](C)C2)sn1 28250916 KXKZCELYSNODQC-GQIGUUNPSA-N 343.540 4.347 0 1 EIAF COc1ccc2c(C3=NCCc4c3[nH]c3ccccc43)ccnc2c1 73314827 NLVZCPMCDXOEPT-UHFFFAOYSA-N 327.387 4.118 0 1 EIAF Cc1cccc([C@H](O)c2nnc(Nc3ccccc3Cl)s2)c1 82078389 PPFITAHBHXJRAC-AWEZNQCLSA-N 331.828 4.325 0 1 EIAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3cccs3)cc1)O2 84602394 LFBAGZZBQAENDV-CVYDXHPNSA-N 328.433 4.239 0 1 EIAF CC[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 165756992 PTROMZWPUXNMAK-HNNXBMFYSA-N 338.436 4.478 0 1 EIAF O=C(Nc1cc2cnc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1 169700066 UBJRQWLUFQBPNS-UHFFFAOYSA-N 341.773 4.438 0 1 EIAF O=c1cc(CSC(=S)N2CCCC2)c2ccc(Cl)cc2o1 299868196 REHIFRAPPGBUCC-UHFFFAOYSA-N 339.869 4.060 0 1 EIAF Fc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1C(F)(F)F 586919031 WPLOJYDGPPPDBG-AWEZNQCLSA-N 338.260 4.233 0 1 EIAF O=Cc1cc(Br)cc(-c2nc3cccc(Cl)c3[nH]2)c1 586982017 GWQNTEHKWIUEPU-UHFFFAOYSA-N 335.588 4.458 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(-c3sc(C4CC4)nc3C)nc2c1 587012092 NVLJYEGUZGJTLS-UHFFFAOYSA-N 347.827 4.312 0 1 EIAF Cc1nc2c(C)ccc3c2c(c1CCC(=O)O)-c1ccccc1C3=O 587100617 MIOHULGKEPUQLT-UHFFFAOYSA-N 331.371 4.080 0 1 EIAF COc1nccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111326 DXFBQZCUOGHIET-UHFFFAOYSA-N 344.296 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCCCC1)O2 587397966 CYTFNABQEBQZLE-FQEVSTJZSA-N 336.435 4.274 0 1 EIAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587403736 QELITGMIUGRDPZ-ZSEKCTLFSA-N 337.419 4.040 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)Sc3ccccc31)O2 587415737 WJEFMSYNUNUAIN-BUXKBTBVSA-N 325.433 4.322 0 1 EIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(C1CC1)CC2=O 587492032 VYDLWHCIJNESCX-NRFANRHFSA-N 337.419 4.096 0 1 EIAF Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587513269 BXDQKSDVHNXVPH-IBGZPJMESA-N 332.403 4.228 0 1 EIAF C[C@]12C[C@@H]1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601338 CXGKMTVGRMQDKT-AACQNTANSA-N 336.387 4.303 0 1 EIAF O=C(COc1ccccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873719 ICXSXSLCFXULPM-UHFFFAOYSA-N 344.729 4.168 0 1 EIAF CN(C)c1ccc(NC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874745 JOHHLRNWCPWBNA-UHFFFAOYSA-N 338.342 3.941 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587932886 WRQMJVGSDBNBJC-SNVBAGLBSA-N 346.333 4.239 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587961963 HLILQPHFKAOGGW-GOEBONIOSA-N 334.419 4.300 0 1 EIAF O=C(c1ccc(Cl)cc1Cl)N(CCO)c1ccc(Cl)cc1 1772631595 HTFDZYSXGWOWMF-UHFFFAOYSA-N 344.625 4.286 0 1 EIAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1C=CC(C)(C)O 2356429738 GWHQUBFEZSVTKH-UHFFFAOYSA-N 336.387 4.253 0 1 EIAF Cc1cc2c(c(C)c1Cl)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 13813950 CFARKPDEDZVNMM-GFCCVEGCSA-N 330.767 4.127 0 3 EIAF aggregator CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 3455356 NOVJUAYKKOIURI-KRWDZBQOSA-N 331.799 4.447 0 1 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@@H]3CCC[C@H](C)N3C)[C@@H]12 4262471 FMPNFDSPHNUFOS-AQUCOOIISA-N 345.527 4.419 0 1 EIAF CC(=O)c1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1 8600123 CPJXFPRSGJOJEQ-UHFFFAOYSA-N 348.406 4.001 0 1 EIAF COc1ccc([C@@H]2O[C@H](C)[C@@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 14828306 TWEGIGPRPZZEHS-FQZPYLGXSA-N 328.408 4.310 0 1 EIAF endogenous,in-man O=C(O)CCCc1ccc(NC(=O)CCCc2ccccc2)cc1 26574159 PQWFKHKNJOHGLD-UHFFFAOYSA-N 325.408 4.055 0 1 EIAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)c1 28713282 QNTZQCFJFOJNPB-JCFBCRGFSA-N 342.508 4.321 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@H](O)C[C@H]21 34300449 HWUVPJJFVCOYPE-VURPSTOHSA-N 330.468 4.484 0 1 EIAF biogenic C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34750896 NNSRXNWUJQJDLG-RHEFQXKYSA-N 347.543 4.094 0 1 EIAF O=C(O)c1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45338609 QCCATGCMJIBZLX-IBGZPJMESA-N 341.370 4.443 0 1 EIAF C[C@@H](c1cccc(OC(=O)N(C)[C@@H](C)Cc2ccccc2)c1)N(C)C 59069890 QGKSWUZOCNWHHA-IRXDYDNUSA-N 340.467 4.371 0 1 EIAF Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)N2C 68245142 ITNYGRCQIUPSGT-YUVVGHDESA-N 348.490 4.401 0 1 EIAF CC(=O)c1cccc(-c2cc(N[C@H]3CCc4ccccc43)ncn2)c1 82162158 OOGSTPQNQDRRRF-IBGZPJMESA-N 329.403 4.446 0 1 EIAF CCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1 96273391 CTTLXTMRNUHPKF-UHFFFAOYSA-N 327.428 4.335 0 1 EIAF CCCOc1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1 103186068 IHMVTOGJUSNZLK-UHFFFAOYSA-N 332.618 4.154 0 1 EIAF Cc1nc(SCC(=O)c2ccccc2)n(Nc2ccccc2)c1C 103244288 AXNWGZYJJWPCES-UHFFFAOYSA-N 337.448 4.350 0 1 EIAF CC[C@@H](C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 116230682 LTZGWNSNJBIENC-CYBMUJFWSA-N 335.407 4.230 0 1 EIAF CCC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1 139769092 AJKWWNBIGFAQQJ-AWEZNQCLSA-N 333.391 4.135 0 1 EIAF c1cc(-c2ccnc(-c3ccc(OCCN4CCCCC4)cc3)c2)[nH]n1 222809139 PIVGOZQUWKCUID-UHFFFAOYSA-N 348.450 4.003 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(C)c12 226057888 FOUFXOREBSDCBF-UHFFFAOYSA-N 339.414 4.153 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1CC[C@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238763386 QJKGZNSDXBIUKZ-RERHIFLGSA-N 332.440 4.108 0 1 EIAF Brc1ccc(Br)c2[nH]c(C3CCC3)nc12 586883920 IQIOHNWITPQWIO-UHFFFAOYSA-N 330.023 4.355 0 1 EIAF Cc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587043075 XXNWMKXJJXSQNC-DLBZAZTESA-N 343.883 4.471 0 1 EIAF Clc1ccc(C2=C[C@@H](c3nc4ccc5ncccc5c4[nH]3)ON2)cc1 587077294 UXUMNNHVXCMOLV-KRWDZBQOSA-N 348.793 4.382 0 1 EIAF COc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)n1 587084071 UQOVTRCSTFIZBC-UHFFFAOYSA-N 343.692 4.186 0 1 EIAF Cc1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1Br 587134374 PZNJMILAGRFJMS-UHFFFAOYSA-N 339.139 4.285 0 1 EIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(F)cc2[nH]1)C1CCCC1 587226575 RIGYVIGLWFOQFR-HNNXBMFYSA-N 333.407 4.458 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3C=CC[C@H]32)[C@@H]1c1ccc(F)cc1 587353355 OWPIZFGWNDGDTL-GTDVHBTHSA-N 336.362 4.225 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(Cl)cc4C1)[C@@H](C2)C3=O 587420207 HMNHLQQRWJNOIC-JXFKEZNVSA-N 340.806 4.024 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C)c1Cl)[C@@H](C2)C3=O 587421995 BKMBQMPVUYSBRM-SGTLLEGYSA-N 332.758 4.285 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(Cl)c1)CC2=O 587460359 FNCHIJJIMYYWGT-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF CC1(C)[C@@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]21 587601668 FFKFCCUBOBUARZ-IYISOKQHSA-N 336.387 4.159 0 1 EIAF COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c1C 587786207 DYYWLEUAXKNIOT-UHFFFAOYSA-N 338.741 4.487 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587928099 WLJKWQSZSZKMDH-SNVBAGLBSA-N 349.793 4.310 0 1 EIAF Oc1nc2cc3nc(Cc4ccccc4-c4ccccc4)[nH]c3cc2[nH]1 587958725 IIVSRZGHHIDTSM-UHFFFAOYSA-N 340.386 4.403 0 1 EIAF Cc1cc(C)c([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)[nH]1 962704583 LHGNKMCZDZXNEL-FOIQADDNSA-N 344.499 4.398 0 1 EIAF CO[C@]1(C)C[C@@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O1 1857636341 YQFRGWIKSKDUKH-YWZLYKJASA-N 340.350 4.209 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@H]1OC(=O)CC(C)C 2356550277 SIUAVQRZOGXWGS-VDZJLULYSA-N 348.483 4.446 0 1 EIAF CN(C)CCC/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 13455792 ARFFJDYERFVHNC-GIJQJNRQSA-N 337.419 4.051 0 1 EIAF CN(C)CCSc1nc2ccccc2c2c1COc1ccccc1-2 13742140 ULYOCVFMAWBIFV-UHFFFAOYSA-N 336.460 4.448 0 1 EIAF FC(F)(F)Oc1ccc(NC(=S)c2cnoc2C2CC2)cc1 26285105 WNVKMLPBZSQFGJ-UHFFFAOYSA-N 328.315 4.238 0 1 EIAF O=C(CCC[C@@H](O)c1ccccc1)NCCC1=CCc2ccccc21 28567786 PGWPCIPGEIHMJD-OAQYLSRUSA-N 335.447 4.036 0 1 EIAF Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)c(C)c1 82191644 DGJGFWGVJIVKKV-UHFFFAOYSA-N 336.439 4.152 0 1 EIAF CO[C@H]1O[C@]2(CCN(CCCCc3ccccc3)C2)c2ccccc21 84730054 FYTIWXPCVXQIHB-VXKWHMMOSA-N 337.463 4.286 0 1 EIAF Clc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 587021365 JLDBFMUDTIQNRC-UHFFFAOYSA-N 326.812 4.326 0 1 EIAF OCCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032225 GMWJZGIJRYDYOC-UHFFFAOYSA-N 349.459 4.106 0 1 EIAF O[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1Cl 587057540 BGHUUEZUDOMCTJ-ZDUSSCGKSA-N 326.705 4.317 0 1 EIAF Clc1ccc(-c2nc3nc(Br)ccc3[nH]2)nc1Cl 587084438 MMSHCUQQHMPROP-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 587151449 ZSGJEGFXTCIHOX-DUXPYHPUSA-N 325.240 4.425 0 1 EIAF C[C@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587169005 PWLPGNNKIZWPLH-NSHDSACASA-N 328.343 4.003 0 1 EIAF Ic1cccc(/C=C/c2nc3ccccc3[nH]2)c1 587185115 XGVLHCIJBAEQBY-CMDGGOBGSA-N 346.171 4.338 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(Cl)cc2C[C@H]1C 587378288 BCIWDPNAJMDKFS-WYRIXSBYSA-N 327.811 4.284 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC)c(F)c1)[C@@H](C2)C3=O 587425799 HRYIKGGNDNJELH-DJJJIMSYSA-N 344.407 4.219 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(C)C)c1)[C@@H](C2)C3=O 587441891 UONHWKIQZJLSBI-LAUBAEHRSA-N 338.403 4.145 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3ccc(F)cc31)CC2=O 587469554 AMYWNTYQFQXHMA-HXUWFJFHSA-N 341.382 4.160 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC)cccc31)CC2=O 587480145 NKSVKXWDVRJMLP-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF C[C@]1(c2c(N)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504569 JJEWNVJGEBNEFY-HXUWFJFHSA-N 343.373 4.306 0 1 EIAF COC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523512 JPBWIVUKGDLQLU-YCRPNKLZSA-N 342.435 4.023 0 1 EIAF COc1cc(C)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946480 VKYYGHQQTSXKSO-INIZCTEOSA-N 329.371 4.465 0 1 EIAF COc1ccc2c(c1)[C@]1(CCCCC[C@@H](C(=O)O)C1)N(C(C)C)CC2 962089491 KASKVWXCHWWSAP-DYESRHJHSA-N 345.483 4.212 0 1 EIAF Cc1c(F)ccc2c1[C@]1(CCCC[C@H]1N1CCCCCC1)NCC2 962299589 OPMYNPFAZOBBRA-TZIWHRDSSA-N 330.491 4.294 0 1 EIAF Cc1cc(C)c([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962719335 VQEDNGLKSCTHGX-YWZLYKJASA-N 342.483 4.291 0 1 EIAF CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2n[nH]cc2c1 1772617371 NQRLDOCCPNSDNH-UHFFFAOYSA-N 330.391 4.142 0 1 EIAF OCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3n2)c1 1857541874 HZTZAJBWMQSWON-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF Cc1ccc(Cl)cc1N1C(=O)CN=C1SCc1ccccc1 22376 CVWVZOFCJIOTPA-UHFFFAOYSA-N 330.840 4.284 0 1 EIAF O=C(O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc21 11536147 VMWZIBFOMSVTEY-UHFFFAOYSA-N 340.379 4.066 0 1 EIAF CCCN(Cc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1 13471414 PJPXNQMIBHMNFN-UHFFFAOYSA-N 331.481 4.145 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1sc(NC(=O)C2CC2)nc1C 13587443 CWEYUMVRFKIALD-UHFFFAOYSA-N 349.843 4.014 0 1 EIAF CC[C@@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C 17148200 XFKKWOBQJWQESO-IOQWXGRMSA-N 346.511 4.308 0 1 EIAF CCc1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)CC2)cc1 43061731 NXQBBXTUSQENCG-UHFFFAOYSA-N 341.476 4.117 0 1 EIAF O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1 63540089 FXQWJULRETZHHW-UHFFFAOYSA-N 341.370 4.482 0 1 EIAF O=C(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccccc1O 166737676 UQIWCTIIGVWFBQ-UHFFFAOYSA-N 329.359 4.188 0 1 EIAF C[C@H]1[C@H]2Cc3ccc(N(C)C)cc3[C@@]1(C)CCN2Cc1ccccc1 169357326 RWYOXWWPQFYBCZ-IMRHEYAYSA-N 334.507 4.477 0 1 EIAF O=C1CS[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1O 299840040 VAIROUHVNFRIBI-OAHLLOKOSA-N 340.231 4.478 0 1 EIAF FC1(F)Oc2cc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 586884236 OYGGONNTOGKZIA-NOTQWWDFSA-N 332.350 4.352 0 1 EIAF Clc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039182 CTDVNILXQRGRNN-CVEARBPZSA-N 329.856 4.163 0 1 EIAF Fc1c(F)c(F)c(/C=C\c2nc3cc(Cl)ncc3[nH]2)c(F)c1F 587133731 AURAHTZIPWSDPM-UPHRSURJSA-N 345.658 4.477 0 1 EIAF CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587512981 HEFCTJHCEVGNGN-QFIPXVFZSA-N 333.431 4.266 0 1 EIAF CCOc1ccc(OCC)n1-c1cc(F)c(Br)cc1F 587943455 CIJDXJXTEMITIK-UHFFFAOYSA-N 346.171 4.315 0 1 EIAF Cc1sc2c(c1C)CCN[C@]2(C)c1nc(Cl)ccc1Cl 963015571 BTZJGVDSFKPECD-OAHLLOKOSA-N 327.280 4.476 0 1 EIAF Cc1cc2cc([C@]3(C)NCCc4c(C(=O)O)cccc43)oc2cc1C 963132445 QHGRGAZGYQRTRD-OAQYLSRUSA-N 335.403 4.157 0 1 EIAF Cn1nc(-c2cc3ccccc3[nH]2)cc1[C@@H]1COC2(CCCCC2)O1 1857534687 MNMZDJXSNIOGJD-IBGZPJMESA-N 337.423 4.317 0 1 EIAF CCC(C)=CC=C[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@H]2O1 2356435112 RMVHXWSDNTZFLY-VHJHNJJRSA-N 325.246 4.278 0 1 EIAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H]1CCOC1=O 13403258 KLTOIXCFCZRIFD-VJWDDSFOSA-N 334.456 4.193 0 1 EIAF biogenic,in-vitro CC(C)(O)CCC[C@@]1(C)C=Cc2cc(O)c(Br)cc2O1 13430762 MPJOAYLECXTNDV-INIZCTEOSA-N 341.245 4.260 0 1 EIAF biogenic Oc1c(Cl)cc(Cn2c(C3CC3)nc3cccnc32)cc1Cl 26272068 RGSJTRUIOORAQK-UHFFFAOYSA-N 334.206 4.369 0 1 EIAF Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCO 27424770 WYEHEVRASMSBAI-UHFFFAOYSA-N 330.478 4.248 0 1 EIAF Cc1ccc(CCCOc2c(C)cc(-c3nc(C)no3)cc2C)cn1 28104792 PZCPOJGFHCFMIP-UHFFFAOYSA-N 337.423 4.377 0 1 EIAF CC(=O)Nc1ccc2oc(-c3ccc(C(F)(F)F)cc3)cc(=O)c2c1 58568895 CJMDMNHNOAVHMS-UHFFFAOYSA-N 347.292 4.437 0 1 EIAF CCCCn1c2ccccc2c2ccnc(CNCCCN(C)C)c21 72118543 JXRKIFYUDWZEFH-UHFFFAOYSA-N 338.499 4.031 0 1 EIAF O[C@](c1ccc(Cl)cc1)(c1cnccn1)c1ccccc1Cl 72184379 LMDIHNHXUPEQHW-KRWDZBQOSA-N 331.202 4.068 0 1 EIAF Clc1cccc(-c2nnc3ccc(-c4ccc5c(c4)OCO5)cn23)c1 74387427 MDIGLLDXOVRVIH-UHFFFAOYSA-N 349.777 4.445 0 1 EIAF Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CNCCO2)c1Cl 89465217 PPEMPAPSRLGSIO-WBVHZDCISA-N 338.234 4.102 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@@]12C=C3C 100778189 OFNWUWHDGCNABD-TZRZLIMKSA-N 346.511 4.489 0 1 EIAF endogenous,in-man CCOC(=O)C1=C(C)N=C(C)[C@@H](C(C)=O)[C@H]1c1ccc2ccccc2c1 169723404 AXZLHNLDQQCYLB-PZJWPPBQSA-N 349.430 4.440 0 1 EIAF Cc1ncsc1CCc1nc2cc(Br)c(F)cc2[nH]1 587027615 XNHYIRYHRILXDS-UHFFFAOYSA-N 340.221 4.015 0 1 EIAF Clc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c(Cl)n1 587036744 LLZTXHYEDNSMSQ-SECBINFHSA-N 340.235 4.183 0 1 EIAF COc1cccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 587136287 MMKYFISHLRJYQZ-UHFFFAOYSA-N 329.375 4.137 0 1 EIAF C[C@@H]1C[C@@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587205642 ARLVIAWSLGASGQ-VXGBXAGGSA-N 343.382 4.197 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C(C)C)n3ccccc13)O2 587393475 HEHJAHBDHKHUCJ-QGZVFWFLSA-N 335.407 4.055 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(/C=C/N1CCCCCC1)CC2=O 587474267 FXKMPDSWWUFVDA-KVDXNUTJSA-N 343.467 4.458 0 1 EIAF O=C1C[C@H](c2cc(Cl)ncc2F)Oc2c1ccc1c2CCCC1 587510031 UICMAJZUPHOWCN-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C 587827293 JJDVVFFNMRPCRS-JDNHERCYSA-N 338.220 4.422 0 1 EIAF CC[C@]1(Cc2nc3cc(Cl)ncc3[nH]2)CC(=O)c2ccccc2C1 587960923 OGFQBGMSMMZNMZ-LJQANCHMSA-N 339.826 4.379 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccnc(Br)c1 963118874 ZXEVDASPEGNBKS-RHSMWYFYSA-N 347.231 4.093 0 1 EIAF COc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 4914592 QDTBIPFXCNWLHH-LJQANCHMSA-N 334.375 4.055 0 3 EIAF O[C@H](c1cccc(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61927666 RVFHNVIYPYIDNG-MRXNPFEDSA-N 345.807 4.274 0 3 EIAF O=C(Nc1ccccc1)Nc1c(-c2ccccc2)nc2ncccn12 203466118 MKJZJNHGRSDZJW-UHFFFAOYSA-N 329.363 4.040 0 3 EIAF O=C(NC1CCCCCC1)c1ccc(C[S@](=O)c2ccccc2)o1 2499501 ZTXZWUDRQJIMBO-XMMPIXPASA-N 345.464 4.040 0 1 EIAF Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(O)c3)cc2c(=O)[nH]1 13679442 SDJBVSNFLVGNIH-UHFFFAOYSA-N 328.799 4.381 0 1 EIAF COc1c(C/C=C(\C)CCC(=O)O)cc(Br)c(C)c1C 13759754 USEZTWJQEOVICK-BJMVGYQFSA-N 341.245 4.428 0 1 EIAF CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 13782851 HKFXPWHKEJSAKW-UHFFFAOYSA-N 325.456 4.439 0 1 EIAF O[C@](c1ccccc1)(c1cncnc1)c1ccc(Cl)c(Cl)c1 28769611 NIHUFSCGSUFGST-KRWDZBQOSA-N 331.202 4.068 0 1 EIAF C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34750897 NNSRXNWUJQJDLG-XJLXTUDJSA-N 347.543 4.094 0 1 EIAF CC(C)CCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO 36375229 LCVIGZGNMQADJV-GJEJWFRCSA-N 342.520 4.386 0 1 EIAF c1ccc([C@@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 45302636 NGZOPRDEDJOWJS-FQEVSTJZSA-N 329.447 4.140 0 1 EIAF Clc1ccc([C@@H]2OCCc3c2noc3CO[C@H]2CCCCO2)cc1 103188424 YHHJJXKJZHSDPB-WMZOPIPTSA-N 349.814 4.033 0 1 EIAF Fc1ccc(-n2ncc3c(-c4cncn5cccc45)ccnc32)c(F)c1 139920316 KCKADFCZYGBJNJ-UHFFFAOYSA-N 347.328 4.013 0 1 EIAF CC(C)Cc1ccc([C@H](C)C(=O)Oc2ccc(C(N)=S)cc2)cc1 149207836 ACMPXMOACUQISZ-AWEZNQCLSA-N 341.476 4.228 0 1 EIAF O=C1CCC[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586883861 HFOKASHRGYUBMY-SSDOTTSWSA-N 343.171 4.220 0 1 EIAF Fc1cnc(Cl)c2[nH]c([C@H]3SCCc4sccc43)nc12 587036430 BDIWZNYJKFCMJH-NSHDSACASA-N 325.821 4.191 0 1 EIAF Fc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076764 OVJBRHGHLLPXPS-UHFFFAOYSA-N 342.761 4.191 0 1 EIAF Nc1cc(F)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1N 587137152 QGEADLAHIMABAF-UHFFFAOYSA-N 334.354 4.326 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(O)cc21 587403599 JDGMKXJIAOXRPJ-QFIPXVFZSA-N 343.382 4.172 0 1 EIAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@H]1c1ccc(F)cc1)[C@@H](C2)C3=O 587426251 BSCAZPHHVZUUAX-NWZZKEMCSA-N 338.378 4.144 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@]2(C)O[C@@H]21 587484619 HABKCTWPWKILHH-YSIASYRMSA-N 330.424 4.026 0 1 EIAF O=Cc1cc(F)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503397 FADLIWMNSPNKGA-OAHLLOKOSA-N 330.380 4.285 0 1 EIAF Cc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623635 KQXOVKVAAVGUDM-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF Cc1ccncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587775933 VAWRBGRPXWFXLQ-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]ccc32)N1 587802358 LQIZLJKLYOXSGR-QGHHPUGFSA-N 349.247 4.030 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCCO3 587952255 NNJMUGJJMZLILX-XEZPLFJOSA-N 330.428 4.381 0 1 EIAF Cc1sc2c(c1C)CCN[C@H]2c1ccn(CC2CCCCC2)n1 963025439 OHUJXEIOACICSZ-SFHVURJKSA-N 329.513 4.377 0 1 EIAF CCN(CC)CCCCCCOc1ccc(/C=C/C(=O)O)cc1OC 1772625075 RDISTOXSPWHYOS-ACCUITESSA-N 349.471 4.074 0 1 EIAF COC(=O)CCN1CC[C@H]2C[C@H]1c1cc(-c3cccc(C)c3)ccc12 103115421 MIVYNKBITSMZHA-RXVVDRJESA-N 335.447 4.459 0 3 EIAF CCSc1nnc(-c2ccccc2)nc1Cc1ccc(OC)cc1 1634534 VIYZQYSEYPLYNR-UHFFFAOYSA-N 337.448 4.250 0 1 EIAF O=C1O[C@H]2c3ccccc3C(=O)[C@]2(c2ccccc2)N1c1ccccc1 1650536 QSWDLZWLBGEPJH-UNMCSNQZSA-N 341.366 4.476 0 1 EIAF CCCCCc1noc([C@H]2CN(CC)CC=C2c2ccccc2)n1 13782850 XZTFMKDZEJVGFP-SFHVURJKSA-N 325.456 4.305 0 1 EIAF CC/C=C\C/C=C\C[C@H]1O[C@@H]1[C@@H](O)/C=C\C/C=C\CCCC(=O)O 15163412 OBMDDWFJCHGNRL-BIDUCMCSSA-N 334.456 4.175 0 1 EIAF CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1ccccc1 28572585 WFFMEXQHWXEKBV-GOSISDBHSA-N 328.362 4.087 0 1 EIAF COc1cc(C(=O)c2ccc3sccc3c2)cc(OC)c1OC 28822248 MVTJHEGEMDINKP-UHFFFAOYSA-N 328.389 4.158 0 1 EIAF O=C1Cc2cnn(-c3cc(Cl)cc(Cl)c3)c2-c2ccccc2N1 28963948 OAFPLIYCFSBONO-UHFFFAOYSA-N 344.201 4.341 0 1 EIAF Clc1ccc(Cl)c(C[C@@H](c2ccccc2)N2CCNCC2)c1 36093222 ZDQCOGINXTZCCG-SFHVURJKSA-N 335.278 4.182 0 1 EIAF CN(Cc1ccccc1)[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 39214093 PZCMACIGIKNXMB-OAHLLOKOSA-N 326.390 4.435 0 1 EIAF Cc1nnc(-c2sccc2NC(=O)Cc2cccc3ccccc23)o1 64549834 BKDRDDSAZLVHON-UHFFFAOYSA-N 349.415 4.441 0 1 EIAF C=CC1=C(C(=O)NCc2ccc(C)cc2)[C@H](c2ccc(F)cc2)OC1 73223808 JXLCPKHFVVOOIL-FQEVSTJZSA-N 337.394 4.004 0 1 EIAF Cc1ccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)cc1 95578949 HNJNKSGGXJBIKM-UHFFFAOYSA-N 346.430 4.459 0 1 EIAF C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2C[C@H]1CN1 118933927 KRFWHRJXDKUGAA-VUNMFWAWSA-N 329.528 4.288 0 1 EIAF COc1ccc2c(c1)CCc1c(-c3ccc(OC)c(OC)c3)noc1-2 169348320 LDWYOSADDJFUAA-UHFFFAOYSA-N 337.375 4.133 0 1 EIAF COc1c(CC=C(C)C)c2c(c3oc(=O)ccc13)C=CC(C)(C)O2 238742054 BGMHGXHNFSVGAN-UHFFFAOYSA-N 326.392 4.495 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C[C@@H]3CN3)CC[C@H]12 253688881 KRFWHRJXDKUGAA-REYORBRHSA-N 329.528 4.288 0 1 EIAF Cc1cccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587023884 WGVYMGJXPKSCIA-UHFFFAOYSA-N 330.413 4.342 0 1 EIAF Fc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115977 HTYCUBZZNBBZHM-UHFFFAOYSA-N 332.260 4.331 0 1 EIAF Cc1ccc2c(ccc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c32)n1 587125511 GLEGJZIUNWIJAZ-UHFFFAOYSA-N 349.356 4.360 0 1 EIAF Fc1cc(F)c(-c2nc3cncc(Cl)c3[nH]2)cc1Br 587137569 BMUKAPAOGIBCGU-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Clc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 587231579 BXKUWRXYWLQKEV-UHFFFAOYSA-N 338.798 4.161 0 1 EIAF C[C@@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344371 GPSONZCFGOUCTP-ICSRJNTNSA-N 337.350 4.134 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(C(F)(F)F)c1)O2 587380205 CECPFKLZNRWPNT-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C)Sc4ccccc41)[C@@H](C2)C3=O 587453125 QFRYLZJUKDFEDA-SZELWCTASA-N 338.428 4.222 0 1 EIAF CC(C)(C)[C@]1(Cn2cccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517337 LCUBLKBRALFTIR-OAQYLSRUSA-N 338.451 4.212 0 1 EIAF CCOC(=O)c1ccc(-c2cc(C(=O)OCC)c3cccccc2-3)o1 653692070 USVVDSOZBVIGSS-UHFFFAOYSA-N 338.359 4.405 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CC(=O)N1CCCCCC1 963236206 SSACJIDRGSASQZ-AVRDEDQJSA-N 342.527 4.351 0 1 EIAF C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H]3[C@@]4(C)CCC[C@@]23COC4=O)C[C@]1(C)O 2356333782 VVKQWVWKEMJKNY-WZMSKDTASA-N 334.500 4.323 0 1 EIAF CO[C@]1(C)CCC=C(C)CCC2=C(C)C(=O)O[C@H]2C=C(C)CC[C@H]1O 2356409638 OGDIPDDKOOVFTL-QKNQBKEWSA-N 348.483 4.241 0 1 EIAF COc1cccc(/C=C2\C[C@@]3(OC(=O)C4CCCC4)CCCN2C3)c1 96018926 NLRYFBQOAAEVJJ-QFTJCQGQSA-N 341.451 4.008 0 3 EIAF CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccoc1 2480487 PFZMXYPYOGTANL-UHFFFAOYSA-N 340.379 4.140 0 1 EIAF CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 12659059 JTFAPYUEBOLXAA-OHNKGQGDSA-N 333.516 4.176 0 1 EIAF O=C1C[C@H](CN2CCC(Oc3ccccc3)CC2)CCc2ccccc21 13488321 YNBYFGHFHOUMSE-GOSISDBHSA-N 349.474 4.365 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26391329 NNSRXNWUJQJDLG-SXJNHJEASA-N 347.543 4.094 0 1 EIAF CC(C)(C)c1ncc(C(=O)Nc2cc(O)ccc2Cl)nc1Cl 40952755 DXJGOACPONQOMY-UHFFFAOYSA-N 340.210 4.039 0 1 EIAF CN1CCC[C@@H]1CCOC(=O)C(C)(c1ccccc1)c1ccccc1 42923041 QJNQIEXTHCSKSI-HXUWFJFHSA-N 337.463 4.020 0 1 EIAF COc1ccc(Oc2cc(NC[C@@H](C)c3ccccc3)ncn2)cc1 82068361 DQYKQYYZEDYUIQ-OAHLLOKOSA-N 335.407 4.493 0 1 EIAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1CC2 95574097 UXSZQAREHZDIJQ-UHFFFAOYSA-N 344.414 4.351 0 1 EIAF CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3[C@@H]1C2 100725765 JNYHIUUHNNPPEZ-VXKWHMMOSA-N 330.431 4.201 0 1 EIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccs1 102583909 HWHDKKWQNIKUFU-LBPRGKRZSA-N 345.449 4.180 0 1 EIAF O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1 103226049 XODGBXPZOXYLFN-UHFFFAOYSA-N 339.826 4.305 0 1 EIAF C[C@H]1CC=C2[C@@H](CCC[C@@]2(C)C(=O)O)[C@]1(C)CCC1=CCOC1=O 238764244 MZTWBVITFAFIPW-HLXNBZPMSA-N 332.440 4.113 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 586963905 RVFOVPNLPGQBFM-SECBINFHSA-N 349.257 4.061 0 1 EIAF CCc1ccc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2c1 586964281 WUIAPOLRXXRHHM-CQSZACIVSA-N 328.441 4.173 0 1 EIAF Cc1cc(C)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587007220 WWEAREABPVBYAK-UHFFFAOYSA-N 341.212 4.257 0 1 EIAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023657 OBGZREJHHARLSC-UHFFFAOYSA-N 345.380 4.252 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Cl)nc2[nH]1 587027066 OIPNUHKEHZCOFP-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF N=C(N)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053469 DIXKACXYPUTPTG-ALCCZGGFSA-N 331.206 4.324 0 1 EIAF CC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114882 YHVDNCQRLHSXFN-AWEZNQCLSA-N 347.340 4.027 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCO3 587172214 ZWXRLEGFZUZJGA-SNVBAGLBSA-N 330.384 4.327 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)cnc1Cl)O2 587380547 WEDJNQCZNFCDSI-INIZCTEOSA-N 337.206 4.160 0 1 EIAF COc1ccc([C@@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403482 NHTLHTJLSAQYJV-FQEVSTJZSA-N 325.408 4.103 0 1 EIAF CCO[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 587403801 RBSNDZSLMMMNJY-PXNSSMCTSA-N 329.440 4.041 0 1 EIAF C[C@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497800 GTTYXUHZXWXYFJ-LJQANCHMSA-N 327.811 4.494 0 1 EIAF O=C1C[C@@]2(CCc3ccc(O)cc3C2)Oc2c1ccc1c2CCCC1 587532202 JQIPFURALHZALM-QFIPXVFZSA-N 334.415 4.164 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1occc12 587615231 FOUCIKJEMCKWFK-WIYYLYMNSA-N 348.354 4.179 0 1 EIAF COc1cc(-c2[nH]c3cc(F)ccc3c2CC(=O)O)ccc1Cl 587632735 JUFKQEOTFBDYIW-UHFFFAOYSA-N 333.746 4.263 0 1 EIAF COc1cccc2cc3c(nc12)[C@@H](c1c[nH]c2ccc(C)cc12)NCC3 963035302 MZHCUPNXZDAIBC-JOCHJYFZSA-N 343.430 4.268 0 1 EIAF COc1ccccc1-c1ccc([C@@]2(C)NCCc3c(C)ccnc32)cc1 963066298 GJPLJYLMYIIOSS-HSZRJFAPSA-N 344.458 4.475 0 1 EIAF CCOC(=O)C[C@]1(CC(C)(C)C)c2c(F)cccc2C[C@H]2CCCN21 963106194 QYILSJUPRMKWCI-IERDGZPVSA-N 347.474 4.431 0 1 EIAF CC(C)CC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21 1857607523 DSDAARMEEWQPDQ-LJQANCHMSA-N 328.387 4.145 0 1 EIAF CC(=O)Oc1ccc2c(c1)CC[C@]1(C)[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]21 2356605756 PYRGOWFQJKEJMV-KOUHRCEDSA-N 326.436 4.427 0 1 EIAF Cc1cccc(C)c1NC(=O)c1cnc(Cl)nc1C(F)(F)F 13555193 PWXZZDGNHHNDLW-UHFFFAOYSA-N 329.709 4.018 0 1 EIAF CCc1cc(-c2nc(N3Cc4ccccc4NC3=O)cs2)ccn1 14974702 YIPABWNHLAARFQ-UHFFFAOYSA-N 336.420 4.320 0 1 EIAF CCSC(=S)SCC(=O)c1ccc(N(CC)CC)cc1 28709997 FCWZCXYKJNODDT-UHFFFAOYSA-N 327.540 4.487 0 1 EIAF O=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl 40977362 RKUQVYCJXCNSFA-UHFFFAOYSA-N 327.211 4.030 0 1 EIAF CC(C)[C@]1(c2ccc(-c3ccc4ccccc4c3)nc2)OC(=O)NC1=O 71405052 HVAVJPXFXQIGPR-OAQYLSRUSA-N 346.386 4.020 0 1 EIAF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccco2)sc1C 82165562 DWQKVSRANKIJIH-UHFFFAOYSA-N 326.425 4.299 0 1 EIAF O=C(O)Cn1c(SCc2cccc(Cl)c2)nc2ccccc21 84652902 FAJAZPBBKJJBJR-UHFFFAOYSA-N 332.812 4.067 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@H]4CO 103110018 GEFQRLYWKLCBRW-JJGBUQAHSA-N 332.484 4.101 0 1 EIAF COc1cccc2c1COc1cc(Nc3ccccc3N)ccc1C2=O 103293000 WBPVYZVWJSSXBF-UHFFFAOYSA-N 346.386 4.144 0 1 EIAF CC[C@@]1(C(=O)NCCc2csc(Cl)c2)[C@@H](C)C1(Cl)Cl 103296630 NWCZRMFAJBBUKH-PELKAZGASA-N 340.703 4.280 0 1 EIAF COc1ccc(Nc2nccc(Oc3cccc4c3C(=O)CC4)n2)cc1 145989953 QRLJIUOVDFJMQE-UHFFFAOYSA-N 347.374 4.150 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)c3c(C)coc3C[C@@H]12 238760033 WEHPANHORJZTCX-FRKTZTOESA-N 332.440 4.108 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 253994960 WYLVHBJTPIXZSO-COXXTLHVSA-N 332.484 4.243 0 1 EIAF Fc1ccc2nc(-c3ncccc3Cl)[nH]c2c1Br 587065575 SHNFIEBYKZHBNP-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)ccnc3[nH]2)c1 587162598 XJAYYNPQKKYDHP-WDEREUQCSA-N 332.176 4.131 0 1 EIAF Nc1cc(-c2nc3ccnc(Br)c3[nH]2)c2ccccc2c1 587252191 SQDZIJDBJIVTDA-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1OCC1CC1)O2 587384679 HQVSBZOHXWXLTH-LJQANCHMSA-N 341.382 4.212 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C2)C3=O 587418897 BMPGXBXKAWDUEY-RCCXTDNNSA-N 340.341 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(CCCCF)c1)[C@@H](C2)C3=O 587422992 HOXZMQCYADDIJT-LAUBAEHRSA-N 340.394 4.476 0 1 EIAF CC[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424845 WFODHTQBNIYWKH-BLVKFPJESA-N 348.320 4.165 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(C)c1)CC2=O 587490810 RTDWCENYBBYUIR-FQEVSTJZSA-N 326.392 4.239 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2F)N1 587726535 JYTJBQPNHQAAHM-FVMDXXJSSA-N 338.195 4.351 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)ncn1 587865858 MCYOHVXILNDPAD-UHFFFAOYSA-N 348.328 4.055 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccc2cccnc12 963056052 KUQHJCAKSHSBCR-JOCHJYFZSA-N 341.414 4.027 0 1 EIAF CC1(C)C(=O)CC[C@H]2[C@@]13C=C[C@H]1[C@@]2(CC[C@]2(C)C(=O)CC[C@]12C)CO3 2356580607 YXDUTHSIFYOIQZ-IOXUAXACSA-N 342.479 4.102 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)CC[C@@H]2[C@@H](C=C1C)OC(=O)[C@H]2C 2356588841 JMRFSMRCASRCOV-OGCZYDBJSA-N 334.456 4.199 0 1 EIAF C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3cccc(F)c3)C2)[C@H]2CCCCN12 203468470 FZRILUPTJULLHL-KISNFGTJSA-N 332.419 4.026 0 3 EIAF C[C@]12CC[C@@H]3[C@H]4Cc5cc(C=O)oc5C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O 13651804 YEOOFMLWOGDHOL-OGDDJDRVSA-N 328.452 4.020 0 1 EIAF COc1cc([C@@H]2c3cc4c(cc3C[C@H](C)[C@@H]2C)OCO4)ccc1O 14726814 ZTNZPWXCSNAVLW-JOOBJXAISA-N 326.392 4.090 0 1 EIAF biogenic CN(C)c1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 20848364 KZBPTUOHSFKLTP-UHFFFAOYSA-N 335.455 4.207 0 1 EIAF COc1ccc(CC[C@@H]2NCCc3c2[nH]c2ccccc32)cc1OC 26664080 FHRNGQMVYPESAX-SFHVURJKSA-N 336.435 4.005 0 1 EIAF CC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@H]1C2 27422809 WCMXBAGNWHQRAC-DVENLEHUSA-N 342.479 4.410 0 1 EIAF CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 28094924 HQPGNMVVNXSKCR-LJQANCHMSA-N 343.434 4.429 0 1 EIAF CCCCCSc1nnc(-c2c(Cl)c(CC)nn2C)s1 34494721 DDCKAHGGISHRFJ-UHFFFAOYSA-N 330.910 4.437 0 1 EIAF Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(C(C)C)[nH]n2)CC1 67588620 ZFIDSWMVWAVSGO-UHFFFAOYSA-N 343.519 4.307 0 1 EIAF Cc1ccc(Oc2ccc(C(=O)NCCc3ccncc3)cc2)cc1 72172200 JHBQYMKKDZQMTH-UHFFFAOYSA-N 332.403 4.155 0 1 EIAF Cc1cccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 73170169 CDBCZRUNGUIRSV-UHFFFAOYSA-N 340.404 4.109 0 1 EIAF Cc1nc2ccccc2cc1C(=O)n1nc(C)c([C@H]2CCCCO2)c1C 103273698 XLIBQXGLKNWNDE-LJQANCHMSA-N 349.434 4.287 0 1 EIAF C[C@@H](Oc1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1)C(F)(F)F 146213746 OODRJGSRBPRQHH-SNVBAGLBSA-N 344.377 4.159 0 1 EIAF CC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1 169351980 RGZJKWVELAWYMV-UHFFFAOYSA-N 333.387 4.008 0 1 EIAF CC(=O)N[C@@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205712418 YYMMYMJVHGOOGT-QGZVFWFLSA-N 334.341 4.281 0 1 EIAF O[C@H](C[C@H]1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1 205771468 FPKRCRNJVIHTNG-GOEBONIOSA-N 336.357 4.169 0 1 EIAF Cc1nc2[nH]c(-c3ccc(O)cc3Cl)nc2cc1Br 587058031 ZOAFBEDOZXIWFP-UHFFFAOYSA-N 338.592 4.055 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081716 ZBSGQTOFARGFFN-INIZCTEOSA-N 342.782 4.069 0 1 EIAF COc1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135119 SPNBZHJAOUAAOV-AATRIKPKSA-N 340.251 4.437 0 1 EIAF Fc1cc(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc(F)c1F 587138283 FNCAOVSLUUKASP-UHFFFAOYSA-N 346.139 4.467 0 1 EIAF NC(=O)c1cccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587145843 RZGJWTSRHKRYLG-UHFFFAOYSA-N 345.377 4.059 0 1 EIAF Cc1c(-c2nc3cnc(Cl)[nH]c-3n2)cc(-c2ccc(F)cc2)n1C 587165806 KPGJKZWKJLGMBP-UHFFFAOYSA-N 341.777 4.078 0 1 EIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc(-c2ccc(F)cc2)n1C 587166631 YIIVXCVVDJOYOP-UHFFFAOYSA-N 349.365 4.412 0 1 EIAF O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 587207520 MJERUOCEBJQSIP-MEDUHNTESA-N 325.367 4.065 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2)c1 587232905 DVZIQBNSSADEAS-UHFFFAOYSA-N 342.402 4.038 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3cc4ccccc4cc31)O2 587398919 GOMQRLUSKHXYPY-JOCHJYFZSA-N 344.414 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccccc4F)c1)[C@@H](C2)C3=O 587426087 KKRNSJGMFQCQOO-BTYIYWSLSA-N 349.361 4.114 0 1 EIAF CC[C@]1(c2cc(C)sc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451108 JFNZNKAIUXDHHM-DNVCBOLYSA-N 328.433 4.426 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@]2(C)CC[C@H]1C2(C)C 587477568 DBLWOEYVXFJPPA-ZLGUVYLKSA-N 342.435 4.074 0 1 EIAF CCn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578023 PNXYQHVJFVFFTC-RXVVDRJESA-N 349.386 4.091 0 1 EIAF CC(C)(C)OC(=O)NCc1[nH]c2cccc(F)c2c1-c1ccncc1 587635809 SUALRGHFJGXQEM-UHFFFAOYSA-N 341.386 4.394 0 1 EIAF CCc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587768969 FJXKFIPUNHXGNQ-BMLIUANNSA-N 349.247 4.169 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@H]2CCCO2)N1 587829932 DDDSSFDFYZPPIB-QKCSRTOESA-N 342.252 4.123 0 1 EIAF CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587956389 ZHHDBJJQQRJMAR-UHFFFAOYSA-N 347.340 4.355 0 1 EIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(C(F)(F)F)cc4[nH]1)(C3)C2 587969641 SCDQIJORDFPGSF-FYBJUZMNSA-N 334.341 4.229 0 1 EIAF c1ccc(-c2cccc([C@@H]3NCCc4nc5ccccn5c43)c2)cc1 962992664 YLYWXORLMIRDLY-NRFANRHFSA-N 325.415 4.236 0 1 EIAF CCCC[C@@]1(C(C)=O)c2ccsc2CCN1Cc1cccnc1 963013400 QYTZTGKZAZRFQB-LJQANCHMSA-N 328.481 4.176 0 1 EIAF CN(C)c1ccc(CCC[C@@]2(C)C(=O)Nc3ccc(F)cc32)cc1 1772630205 KNFQJKAPFOTEBI-HXUWFJFHSA-N 326.415 4.124 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C)[C@@]12C 2356444558 ZGSGPGJJWNVAIA-VITHAQFBSA-N 334.456 4.332 0 1 EIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C=C[C@H]12)[C@@](C)(O)C3 2356650969 YAEBBOYLVMTKML-YDIRQPIJSA-N 346.511 4.489 0 1 EIAF CCC(C)=C[C@@H]1C(=O)O[C@@H]2C=C[C@H](C(=O)OCCC(C)C)CC[C@@H]21 2356809361 AQGUKTHRCNAALC-ZJPYXAASSA-N 334.456 4.056 0 1 EIAF COCCN1C(=O)COCc2ccc(-c3ccc4ccccc4c3)cc21 74375070 JIIPFTAQIVGJNJ-UHFFFAOYSA-N 347.414 4.016 0 3 EIAF CN1CC=C(c2ccccc2)N(c2ccc(Br)cc2)C1=O 203463460 XXARHRQVYXAVPT-UHFFFAOYSA-N 343.224 4.362 0 3 EIAF CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(Cl)cc3N2O1 3965842 JTLCTTWVUAIQHD-QFBILLFUSA-N 328.843 4.057 0 1 EIAF Cc1cccc(-c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)c1 13580488 YUZFQJVRZIQCGL-UHFFFAOYSA-N 331.419 4.444 0 1 EIAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)Cc1cccc2ccccc12 13734028 YFADCRNSRNZXOF-QZTJIDSGSA-N 338.495 4.152 0 1 EIAF CNCCC[C@@]1(C)Cc2ccccc2N(c2ccc(F)c(F)c2)C1=O 28527806 OMMZYEKKLHJLJY-FQEVSTJZSA-N 344.405 4.192 0 1 EIAF Cc1ccn2c(CN(C)C)c(-c3ccccc3Br)nc2c1 103214683 PATVUXRMLYUUHP-UHFFFAOYSA-N 344.256 4.134 0 1 EIAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCCn2ccnc2)cc1 169300079 VAVLGLPINYWHFE-NGEZVKBWSA-N 349.522 4.300 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1 586915075 ACTUTARRTYFWPX-BUXKBTBVSA-N 342.345 4.058 0 1 EIAF Fc1ccc(-c2cnn(Cc3nc4cnc5ccccc5c4[nH]3)c2)cc1 587164870 DRKDKRVNPDZFDL-UHFFFAOYSA-N 343.365 4.162 0 1 EIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(F)c2[nH]1)C(C)(C)C 587204577 KMDSEGUCIJWBRF-CYBMUJFWSA-N 335.423 4.184 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 587241644 FQQJTHMYFULRHI-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1Cl 587382635 SURTWJDFRVMUSD-HNNXBMFYSA-N 335.762 4.085 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC(C)C)c1)O2 587401081 PWJXAROJONIDNI-HXUWFJFHSA-N 325.408 4.245 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc4ccc(C)cc4o1)[C@@H](C2)C3=O 587456460 VOKJJIKZGVZLLF-BTYIYWSLSA-N 334.371 4.413 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(F)F)CC2=O 587465583 IOPQFKPWCPINHO-LJQANCHMSA-N 332.346 4.471 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)Oc2ccccc21 587488918 SPUYJLXUNNGQBK-ASSNKEHSSA-N 338.403 4.376 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3snnc3c1)CC2=O 587494195 JBVDHNRNOIGQNL-INIZCTEOSA-N 340.404 4.056 0 1 EIAF C[C@]1(c2cn3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 587515450 NXOVAQLWUUFMSL-OAQYLSRUSA-N 332.403 4.094 0 1 EIAF Cc1nc2ccccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516798 ZWBNKVONQDOVSM-GOSISDBHSA-N 332.403 4.228 0 1 EIAF Cc1ccc2c(c1)[C@@]1(CC(=O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587533359 SNRWCUTYZCNARI-QFIPXVFZSA-N 348.398 4.044 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccco2)N1 587826242 DUGJFKFMNCQARI-SSXGSKAJSA-N 336.204 4.470 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587935341 IHYJKRQYVQNGPI-PIGZYNQJSA-N 330.815 4.370 0 1 EIAF CC[C@@]1(Cc2nc3c(C)nc(C)cc3[nH]2)CC(=O)c2ccccc2C1 587959821 IAGXYNMUIYQMJU-NRFANRHFSA-N 333.435 4.343 0 1 EIAF Cc1c(F)ccc2c1[C@](c1ccccc1)(c1ccsc1N)NCC2 962375414 NCTUUOBICVPWSM-FQEVSTJZSA-N 338.451 4.215 0 1 EIAF c1coc(CN2CCc3sccc3[C@@H]2c2c[nH]c3ncccc23)c1 962715412 WOKMDJFUJZBCKT-GOSISDBHSA-N 335.432 4.365 0 1 EIAF CC[C@]1(CCCCCC(=O)O)c2c(F)cccc2C[C@@H]2CCCN21 963097522 FSIZUHNPAOGNGV-JXFKEZNVSA-N 333.447 4.487 0 1 EIAF O=C(Nc1ccccc1F)Nc1ncccc1OCc1ccccc1 1201988270 GULVIFPDZSAEQB-UHFFFAOYSA-N 337.354 4.444 0 1 EIAF CC(C)(CNC(=O)N1CCCCC1)c1nc(-c2ccccc2)cs1 1772650662 IVXVXBYZDXMQAR-UHFFFAOYSA-N 343.496 4.283 0 1 EIAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCCCCC1 2356303418 UNXVVCUQLXCKAE-GFCCVEGCSA-N 348.830 4.065 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@@H](O)[C@H]2C1 2356597608 NXNOPTGUMNFXAY-UWSQWELOSA-N 332.440 4.108 0 1 EIAF CCOc1cc(Cl)c([C@@H](C)NC(=O)c2cccnc2)cc1OCC 995555 RIKNWPIRSCXWQZ-GFCCVEGCSA-N 348.830 4.023 0 1 EIAF COc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1 13489715 YCTMJSIGOXPERK-UHFFFAOYSA-N 346.365 4.144 0 1 EIAF CC(=O)Oc1ccc(F)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 28863517 JPDXRISQTHGYEF-UHFFFAOYSA-N 329.371 4.301 0 1 EIAF CCOC(=O)/C=C(C)/C=C/C[C@H](C)CC[C@@H](OC)C(C)(C)OC 29312759 XTUMFTHYMVBWBB-ZCRUGNOUSA-N 326.477 4.298 0 1 EIAF Clc1cccc(Oc2cc(N3CCc4ccccc4C3)ncn2)c1 37623788 SGDUIDIICMTSBP-UHFFFAOYSA-N 337.810 4.485 0 1 EIAF COc1ccc(C2=C(c3ccsc3)C(=O)N3CCC[C@H]3C2)cc1 40413119 FEXTXYPDVXZTPD-HNNXBMFYSA-N 325.433 4.062 0 1 EIAF C[C@H](c1ccccn1)N(CCCCN)Cc1ncccc1C(C)(C)C 66065977 OSJFHDCHORASQE-QGZVFWFLSA-N 340.515 4.076 0 1 EIAF COc1cc(Nc2ncnc3c2sc2ncccc23)cc(OC)c1 95577147 VLLFJTFIMFAMHU-UHFFFAOYSA-N 338.392 4.000 0 1 EIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cnccc4[nH]3)c2)cc1 587068098 YMDYARLFENAPLN-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2ncc(C(F)(F)F)cc2[nH]1 587072473 QSNCTTNYMRXLQY-UHFFFAOYSA-N 339.704 4.056 0 1 EIAF FC(F)(F)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Cl 587085857 LBOBZQBSDYQGLH-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF CCOC(=O)c1ccc2nc([C@H](CC)Oc3ccccc3F)[nH]c2c1 587156584 WTISMRLPTJAIPU-INIZCTEOSA-N 342.370 4.409 0 1 EIAF Cc1c(Cl)ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174685 LQKOCEKDWLFEPI-AWEZNQCLSA-N 342.805 4.388 0 1 EIAF O=C(N[C@H](c1ccccc1)c1nc2cccc(F)c2[nH]1)c1ccccc1 587221279 VEYWIABSTFEVNG-GOSISDBHSA-N 345.377 4.221 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn3c(C)cccc3n1)CC2=O 587493075 ZJPMRDQOKNSVBQ-SFHVURJKSA-N 336.391 4.007 0 1 EIAF C[C@H]([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C 587601126 DXADPGAEHUVIMY-RNRVQEDPSA-N 326.392 4.405 0 1 EIAF CS[C@H](C)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587838288 BIVBZTSXQHEJRG-QIBSRJKCSA-N 332.282 4.305 0 1 EIAF O=C(NCc1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874305 UGNYHSRHQAIBEX-UHFFFAOYSA-N 343.745 4.206 0 1 EIAF COc1cc(N)c(-c2nc(-c3ccc(F)cc3)cs2)cc1OC 587922975 KRGAZMPKCFTROO-UHFFFAOYSA-N 330.384 4.216 0 1 EIAF COc1ccc(OC)c(-c2nc3ccc(OC(C)C)cc3[nH]2)c1OC 587926968 MSCSQSPIOUXREK-UHFFFAOYSA-N 342.395 4.043 0 1 EIAF Fc1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1203914948 FLSGHIKNXUIOCU-YVNJGZBMSA-N 340.486 4.221 0 1 EIAF COc1ccc(F)cc1[C@H]1C[C@H]1CNCc1cccc2cccnc12 1772607268 BAARVIDDZAGAQJ-WMZOPIPTSA-N 336.410 4.276 0 1 EIAF CN(C/C=C/c1ccccc1Cl)Cc1ccc2c(c1)OCCO2 1857538012 AHOKLFBVDJRFLG-GQCTYLIASA-N 329.827 4.256 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]21CCC(=O)O1 1857622106 XBSQQVJXPODPRW-VTNJRNCZSA-N 344.495 4.386 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)C[C@H]1OC(=O)CC(C)C 2356550276 SIUAVQRZOGXWGS-HHXXYDBFSA-N 348.483 4.446 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]32)C1 2356618951 PLEUIMUJHJRAMH-IGAGALNISA-N 334.500 4.322 0 1 EIAF CCCCN(CCCC)C(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188968 ZOIWZQSMBMLNNB-UHFFFAOYSA-N 336.320 4.482 0 1 EIAF biogenic Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1 13808847 SPSLKQWWHDBYPX-UHFFFAOYSA-N 347.809 4.408 0 1 EIAF CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 28221235 DMHPPEKTDQSHDS-UHFFFAOYSA-N 345.468 4.358 0 1 EIAF CC(=O)c1cn(-c2ccc(C(N)=O)cc2Cl)c2cc(Cl)ccc12 34985614 MRVHKCYLUMZADS-UHFFFAOYSA-N 347.201 4.239 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@H](C(=O)O)C3 70454065 HITLMPHPGUZLGI-LMMRGQMGSA-N 334.456 4.185 0 1 EIAF biogenic,in-vitro O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cc(F)ccc1F 72184462 NFDQUPNZDLRYFK-GOSISDBHSA-N 331.749 4.297 0 1 EIAF C[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1C(F)(F)F 587096411 ARUQJVOATRXLHD-QMMMGPOBSA-N 346.312 4.315 0 1 EIAF COc1ccc(NC(C)(C)c2nc3ccc4ncccc4c3[nH]2)cc1 587201140 HINMDMUDPMRCQP-UHFFFAOYSA-N 332.407 4.467 0 1 EIAF Cc1cnc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587225596 MERGXDFSOKJDIB-CQSZACIVSA-N 330.432 4.022 0 1 EIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(C(C)(C)C)c3[nH]1)C2 587246526 GZFIBSJJTVFDMH-JOCHJYFZSA-N 349.478 4.212 0 1 EIAF CC(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258543 MVKYBXSEWYSEHV-SFHVURJKSA-N 329.403 4.161 0 1 EIAF CC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357946 XGTVUILZYVRQTR-ICSRJNTNSA-N 342.366 4.018 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3ncccc3C)C1)O2 587394265 SFXXQAZGSCYJBO-VFNWGFHPSA-N 336.435 4.342 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(F)c1Cl)[C@@H](C2)C3=O 587425530 DOTHHTMBEVCKIT-BTDLBPIBSA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc(F)c1F)[C@@H](C2)C3=O 587427246 RHZTWTCEVLSINI-XYZCENFISA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1N(C)C(C)C)[C@@H](C2)C3=O 587430885 WKIKCUFVXDHIFE-HRAATJIYSA-N 337.419 4.029 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O)cc1O)CC2=O 587460479 MVXDCIRSXRVUMJ-QGZVFWFLSA-N 348.782 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCN3)CC2=O 587485652 QCTIYWNIWCNURV-OAQYLSRUSA-N 337.419 4.193 0 1 EIAF COC(=O)CCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523579 KKOJWHFTQWGDGZ-OAHLLOKOSA-N 330.424 4.023 0 1 EIAF C[C@]1(c2ccc3c(c2)CCN3)CC(=O)c2ccc3c(c2O1)CCCC3 587528436 ZNJDGOVXADHYCY-JOCHJYFZSA-N 333.431 4.414 0 1 EIAF CC(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530108 CUQZBUVTSHXPAG-INIZCTEOSA-N 341.432 4.292 0 1 EIAF CC[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775176 PLDTUOJMRFWTRI-DIFFPNOSSA-N 349.247 4.171 0 1 EIAF CCC[C@@H](c1nc2cc(I)cnc2[nH]1)C(C)C 587955700 UGWHULPKXWHOIH-SNVBAGLBSA-N 343.212 4.102 0 1 EIAF C[C@@H]([C@H]1NC2(CC2)Cc2ccc(Br)cc21)C(F)(F)F 961617690 VJRYVEBUAIUPAK-QPUJVOFHSA-N 334.179 4.367 0 1 EIAF c1coc(CN2CCc3sccc3[C@]23CCCc2ncccc23)c1 962706193 LJNQCBYXOZGGIL-HXUWFJFHSA-N 336.460 4.374 0 1 EIAF CC1(c2nc3cc(Nc4ccc(C(F)(F)F)cn4)ncc3[nH]2)CC1 1857646259 CDAFNDSMHOBQNM-UHFFFAOYSA-N 333.317 4.167 0 1 EIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccccc2)cc1 1857653523 KZCLBBKYMUPUAH-UHFFFAOYSA-N 343.382 4.092 0 1 EIAF Cc1ccc(-c2nc3ccccc3n2[C@@H](C)C(=O)NC(C)(C)C)cc1 199229818 BWYAFDIXRZNGND-HNNXBMFYSA-N 335.451 4.487 0 3 EIAF O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 13493261 LXVWILMCCFVIND-UHFFFAOYSA-N 337.810 4.084 0 1 EIAF FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 25995333 FTNQLOBIHBFXGY-UHFFFAOYSA-N 337.370 4.228 0 1 EIAF C1=C(c2ccccc2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1 26575034 MQHGACGPMGUHSJ-HXUWFJFHSA-N 347.506 4.477 0 1 EIAF in-vivo CN1CCN(c2nc3ccccc3c3c2CC[C@@H]2CCCC[C@H]32)CC1 29340070 AFZCODAIYOWGDR-IRXDYDNUSA-N 335.495 4.207 0 1 EIAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Cc2ccccc2C1=O 40577113 KTXGYDAKYLDTKK-RWTBBVLASA-N 346.430 4.155 0 1 EIAF NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1 58575936 VXBZBOIYYYVXOK-UHFFFAOYSA-N 348.280 4.006 0 1 EIAF COc1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)cc1 73156338 LHHGPWPUBLDJPL-UHFFFAOYSA-N 346.390 4.157 0 1 EIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1 96911089 SYWVYARUPDBFCA-UHFFFAOYSA-N 336.435 4.288 0 1 EIAF Cc1cc2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 169348256 DGXRCWWIWJRLOC-RTBURBONSA-N 336.410 4.009 0 1 EIAF Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1CCCc1cccnc1 169359967 JHJZSVHCUXVYQO-JXFKEZNVSA-N 335.426 4.396 0 1 EIAF Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3O)cc2F)cn1 473179758 VTYNPHJSIQKDNI-UHFFFAOYSA-N 349.287 4.256 0 1 EIAF O=C1CCC[C@H](c2nc3ccc(F)c(Br)c3[nH]2)CC1 586883262 ARDJHGHRKAGXIR-QMMMGPOBSA-N 325.181 4.081 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586917437 FGUDUNCANPEDNR-AWEZNQCLSA-N 345.196 4.146 0 1 EIAF Cc1ncsc1CCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587027660 ZKAPEAXIXKENAJ-UHFFFAOYSA-N 327.331 4.012 0 1 EIAF NC(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047743 BKGQAVDIKSSHDC-ZJUUUORDSA-N 346.217 4.240 0 1 EIAF COc1cnc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1Cl 587065146 VGCCSYZVFGDDPU-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF Cc1cc(Cl)ccc1OCCCc1nc2cc3cn[nH]c3cc2[nH]1 587067177 WYIZKMZRORQVEL-UHFFFAOYSA-N 340.814 4.413 0 1 EIAF N[C@H](N=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074590 XWKKXDKQHRYNNB-MRXNPFEDSA-N 340.814 4.410 0 1 EIAF C[C@H](c1nc2cccc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F 587098228 OQYAPKJQSVFFNX-VIFPVBQESA-N 334.297 4.432 0 1 EIAF CCn1nccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105114 OXAXSTLNVNWYDR-UHFFFAOYSA-N 325.371 4.330 0 1 EIAF Cn1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587111371 FWLIHWLORNJMBI-UHFFFAOYSA-N 349.234 4.486 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Cc1ccccc1)[C@@H](C2)C3=O 587448176 ZVKGCPZIVWVFTN-ZJBJCVSYSA-N 334.415 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(O)c13)CC2=O 587482894 KKAYTOKBAKGOII-SFHVURJKSA-N 337.375 4.238 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1CC)CC2=O 587490833 ZSJJVDCZRXKGDS-HXUWFJFHSA-N 325.408 4.183 0 1 EIAF Cn1cnc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587516767 WHFWZNDIEDRGQL-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF O=C(O)c1cccc2c(OCc3ccccc3)c(C(F)(F)F)[nH]c12 587637171 CZLYOENKFNVAOL-UHFFFAOYSA-N 335.281 4.464 0 1 EIAF Cc1cncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587773485 JEFZRRUAABRYQX-BTDLBPIBSA-N 349.247 4.224 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2)N1 587815723 PDTHGMILCPQRFB-APPDUMDISA-N 334.232 4.386 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587961965 HLILQPHFKAOGGW-HOCLYGCPSA-N 334.419 4.300 0 1 EIAF COC(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2n1 587968704 OHJTUNUVGNFLNK-FMIVXFBMSA-N 329.359 4.068 0 1 EIAF COc1ccc(-c2ccncc2[C@H]2NCCc3cc(C)c(F)cc32)cc1 962148229 RPLQISBQNFIGSO-QFIPXVFZSA-N 348.421 4.440 0 1 EIAF CCCC[C@@]1(c2ccccn2)NCCc2cnc3c(OC)cccc3c21 963035472 NFBXIFWMMLZKDJ-QFIPXVFZSA-N 347.462 4.218 0 1 EIAF CN(C)CCNc1c2c(nc3ccc(Cl)cc13)-c1ccccc1C2 1857597457 MPEQRXVHSGGJQP-UHFFFAOYSA-N 337.854 4.433 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@]1(CO)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356584294 ACTLTPVNNKNAFE-OBUJGBQQSA-N 346.467 4.137 0 1 EIAF COc1cccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)c1 13123516 QVCMTXIFKCARDG-IAGOWNOFSA-N 340.814 4.086 0 3 EIAF CC(=O)Nc1cc(-c2cccc(N)c2)cn2c(-c3ccccc3)cnc12 61929836 AOWVTUAVYJFMKZ-UHFFFAOYSA-N 342.402 4.209 0 3 EIAF Cc1ccc(-n2cnc3cc(C(=O)NCc4ccco4)ccc32)c(C)c1 216273 ZYRLXLAYFUWCPK-UHFFFAOYSA-N 345.402 4.165 0 1 EIAF Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1 1369497 CKYDUMAKNUMGNZ-RTBURBONSA-N 345.556 4.323 0 1 EIAF CC(C)(O)CCC[C@]1(C)C=Cc2cc(O)c(Br)cc2O1 13430763 MPJOAYLECXTNDV-MRXNPFEDSA-N 341.245 4.260 0 1 EIAF biogenic COc1cc2[nH]c(Cc3ccccc3)c(C=O)c2cc1-c1cnco1 13488736 AFDKZOZMJSLGHO-UHFFFAOYSA-N 332.359 4.235 0 1 EIAF CNC1=Nc2nc(C)ccc2C(c2ccccc2)=N[C@@H]1c1cccs1 40402737 OKVLPQWGPVCBRB-GOSISDBHSA-N 346.459 4.293 0 1 EIAF Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 40879323 YHXFDNMJUSQSPP-UHFFFAOYSA-N 338.370 4.317 0 1 EIAF Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C)cc1 43120121 CQFMIXLAQAIOEK-UHFFFAOYSA-N 337.448 4.220 0 1 EIAF Cc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCCCC3)cc2c1=O 72113541 WNMCWOLEGMOIKD-UHFFFAOYSA-N 334.419 4.199 0 1 EIAF Cc1ccccc1[C@H](O)c1nnc(Nc2c(C)cccc2C)s1 82083804 SXSHAULVAROVFE-INIZCTEOSA-N 325.437 4.289 0 1 EIAF O=C(OCCc1ccccn1)c1coc(-c2ccc3ccccc3c2)n1 82086443 NQLOSOATWRBQCH-UHFFFAOYSA-N 344.370 4.289 0 1 EIAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 95911936 HITLMPHPGUZLGI-WXTRFUDFSA-N 334.456 4.185 0 1 EIAF biogenic,in-vitro Cc1ccc(-n2ccnc2SCc2nc3ccc(C)nc3[nH]2)c(C)c1 586966184 IVNPODJCSAJJOR-UHFFFAOYSA-N 349.463 4.361 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](O)[C@@H]4C)-c1ccccc1C2=O 587102564 XOJCRJLUYFXZIS-YVEFUNNKSA-N 329.399 4.165 0 1 EIAF CC(C)(C)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2n1 587138621 NIBGQBXZTBPPTC-UHFFFAOYSA-N 333.357 4.458 0 1 EIAF COc1cncc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587145999 ZJERUILJRHEECU-UHFFFAOYSA-N 333.366 4.363 0 1 EIAF Fc1cc(Br)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 587177707 VCZDGUOCUKLJIA-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(CCOC1)C3 587209156 LHTMVGBDGOTBBO-HSZRJFAPSA-N 341.410 4.342 0 1 EIAF CCC(=O)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349507 CDRYKSLHQFEJTD-QUCCMNQESA-N 342.366 4.018 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)c(C)c1)[C@@H](C2)C3=O 587445346 VMKKMTWRENTTBI-HTAPYJJXSA-N 349.430 4.093 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(OC)c(F)c1)CC2=O 587466450 NWOVPKBBBXQGTC-KRWDZBQOSA-N 348.345 4.338 0 1 EIAF CC(=O)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523295 KWJQITCFILEYLN-HXUWFJFHSA-N 336.387 4.197 0 1 EIAF COC(=O)c1sccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530290 DXNXUOOJCOXIML-MRXNPFEDSA-N 342.416 4.120 0 1 EIAF CCc1cccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587653201 FNFIQLFWRZMLNS-UHFFFAOYSA-N 341.823 4.211 0 1 EIAF O=C(CCc1nc2ccccc2[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587874772 BNRLKFGYFVFKBL-UHFFFAOYSA-N 348.337 3.944 0 1 EIAF COc1ccc(NC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875996 XJXNPLBMURSLCN-UHFFFAOYSA-N 325.299 3.884 0 1 EIAF CCC[C@@]1([C@H](CC)C(=O)OC)c2cc(OC)ccc2CCN1C(C)C 962094817 XQVASTKSNMQWQE-WIYYLYMNSA-N 347.499 4.156 0 1 EIAF Cc1noc([C@H]2CCC[C@]23NCCc2cccc(-c4ccccc4)c23)n1 962660472 CNIFHAIQNCQBEE-KNQAVFIVSA-N 345.446 4.354 0 1 EIAF CCN(Cc1ccccn1)C(=O)Cn1c2ccccc2c2ccccc21 1857549576 LHTVGRDKBJSAAE-UHFFFAOYSA-N 343.430 4.238 0 1 EIAF Cc1cc2c(cc1C)N(Cc1ccccc1F)/C(=C1\C=CC=NC1=O)N2 104021155 DIFIHVOYQBTLQU-CAPFRKAQSA-N 347.393 4.253 0 3 EIAF O=C(NC1CCCCC1)[C@@H](Nc1ccccc1)c1ccccc1F 206049823 JIVWOHXUFHIBLJ-IBGZPJMESA-N 326.415 4.428 0 3 EIAF CC(=O)Oc1ccc2cc(Oc3ccc(Cl)cc3)c(=O)oc2c1 1647185 OZSGZTFBYXXKIX-UHFFFAOYSA-N 330.723 4.164 0 1 EIAF Cc1ccc2c(c1NC(=O)C(C)(C)Cc1ccccc1)OCCC2=O 13742733 JBOPRDDEASNCFX-UHFFFAOYSA-N 337.419 4.168 0 1 EIAF C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@H]12 27520406 XFDFDWJXWMKQGW-GOLQWDRCSA-N 340.463 4.370 0 1 EIAF OC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 34577614 CFTXJKKITUELKJ-UHFFFAOYSA-N 340.448 4.045 0 1 EIAF in-vivo CCN(CC)c1c(-c2nc3ccccc3[nH]2)c(O)nc2ccccc12 34646387 AFGBSTYFMJSMGD-UHFFFAOYSA-N 332.407 4.330 0 1 EIAF CC(C)Oc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 35013123 AOHJXXIVPFBPJN-NRFANRHFSA-N 344.451 4.242 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc(F)cc1 82157399 LRCNSIPBUALDOY-HXUWFJFHSA-N 334.350 4.218 0 1 EIAF COc1ccc(CNc2cc(-c3cccc(C)c3C)ncn2)cc1OC 82162041 YCKKFXVSTHIAFW-UHFFFAOYSA-N 349.434 4.390 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCCO1 169310453 OHOUPBLLXCZHSW-LDWVWBAUSA-N 331.500 4.057 0 1 EIAF CC[C@H](C)Sc1nc(Cc2c(F)cccc2Cl)cc(=O)[nH]1 169352166 FBAPZXNURCCVID-VIFPVBQESA-N 326.824 4.044 0 1 EIAF C[C@@H]1CN(CCOC(=O)[C@H](c2ccccc2)[C@@H]2C=CCCC2)C[C@@H]1C 263594952 CZDWKRSKCXMEKV-KOUHRCEDSA-N 341.495 4.258 0 1 EIAF CCOC(=O)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 299834129 UIZVDTITMQGFGP-UHFFFAOYSA-N 334.456 4.052 0 1 EIAF CCCOc1ccccc1CN[C@H]1CCC[C@@H]1Cc1cc(C)no1 299842927 KHPMWVMRQGIXCM-APWZRJJASA-N 328.456 4.273 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(F)cc2[nH]1 587064638 FEBGPCMUDZXCLO-UHFFFAOYSA-N 348.761 4.064 0 1 EIAF Cc1ccc2c3c(cc([C@H](C)CC(=O)O)nc13)-c1ccccc1C2=O 587102006 YHRCUZMJPPHTNW-GFCCVEGCSA-N 331.371 4.333 0 1 EIAF Oc1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137868 PIMPIOMCUAHWPC-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF C[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587374144 OHSSWDFMPLRXES-BAXPTACRSA-N 344.407 4.012 0 1 EIAF CCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)CCC2 587400094 NDHBNFMFLKAIRJ-HXUWFJFHSA-N 337.419 4.171 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(Cl)cc1F)[C@@H](C2)C3=O 587424876 WVPTTYKFWJSQLK-BTDLBPIBSA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(O)cc(C(C)(C)C)c1)[C@@H](C2)C3=O 587452358 SWNAFNVMGYEMQO-JXFKEZNVSA-N 338.403 4.187 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccccc3OC1)CC2=O 587481063 AAUZUDQOBRSNMW-OAQYLSRUSA-N 338.403 4.074 0 1 EIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600813 BPPXASWYZOCJNQ-ISFMSQJKSA-N 348.398 4.159 0 1 EIAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1ccco1 653681809 WLNHFWZZOOBEHX-KRWDZBQOSA-N 335.359 4.025 0 1 EIAF O=C1COc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 653692030 KQGXAHDELMVZPM-OAHLLOKOSA-N 347.201 4.064 0 1 EIAF COc1ccc2c(c1OC)[C@@H](c1cc(Cl)cnc1C)N(C)[C@@H](C)C2 962627222 LBCAEZFSONJGCY-BBATYDOGSA-N 346.858 4.026 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)cc(C(=O)O)c2)N1 962951945 JKUIIPMCTOLRCT-RDTXWAMCSA-N 338.382 4.019 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)nc2Cl)N1 962961690 YACCTXVIABMPDI-GTNSWQLSSA-N 341.842 4.239 0 1 EIAF O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccccc2)[N@@]1Cc1ccccc1 1857623935 LSWFEKFANVJTSQ-RUMRUAAYSA-N 341.410 4.005 0 1 EIAF CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 8578925 CLIVPRNDEYEJQQ-UHFFFAOYSA-N 340.467 4.216 0 3 EIAF C[C@H]1CCC[C@H](C)N1N/C=C1\C=Nc2ccc(Br)cc21 13119142 WOLYPCIGPGMQGS-NYKRYYGFSA-N 334.261 4.273 0 3 EIAF Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(C)(C)CC3)cc1 85339 YAVYESWYHQQTIJ-UHFFFAOYSA-N 339.435 4.425 0 1 EIAF O=C(NC1CCCCCC1)c1cc2c(=O)oc3ccccc3c2s1 2461382 HCVDOYOOMQPIPJ-UHFFFAOYSA-N 341.432 4.460 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@@]2(C)[C@H]1C 14452955 PXMQEUQSUMAFIZ-MNFOOTCESA-N 330.424 4.257 0 1 EIAF biogenic O=C(O)CCC/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCCCO 26180977 NUPDGIJXOAHJRW-HTPIGLDCSA-N 336.472 4.160 0 1 EIAF in-man COC(=O)[C@H]1[C@@H](c2cccc(-c3ccccc3)c2)C[C@@H]2CC[C@H]1N2C 26183109 GDTWDHOANPFJQI-BQJUDKOJSA-N 335.447 4.093 0 1 EIAF C[C@H]1[C@@H]2Cc3ccc(N(C)C)cc3[C@@]1(C)CCN2Cc1ccccc1 26818055 RWYOXWWPQFYBCZ-RTFZILSDSA-N 334.507 4.477 0 1 EIAF Cc1cccc(-c2cc3ccccc3c(N3CCCN(C)CC3)n2)c1 27440190 BLRGMJKUFFMGBU-UHFFFAOYSA-N 331.463 4.352 0 1 EIAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@H]2CC[C@@H]1N2C 36270723 NBXHPPSAAQZXHP-PBVWOCPUSA-N 337.463 4.394 0 1 EIAF CN(c1ccccc1)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 38320925 BWFQGGYUNLJWKI-UHFFFAOYSA-N 342.402 4.097 0 1 EIAF Cc1c(Cc2ccccc2)nc(SCCc2ccccc2)[nH]c1=O 49071297 ODLNKEIYPAAAJT-UHFFFAOYSA-N 336.460 4.004 0 1 EIAF COc1ccc2c(c1)[nH]c1c(-c3ccnc4ccccc34)[nH]c(=O)cc12 73295369 YDXLVLLGEJJBBH-UHFFFAOYSA-N 341.370 4.233 0 1 EIAF Cc1ccc(-c2nc(CSc3nc4cc[nH]cc-4n3)c(C)o2)cc1 103587825 IGPNEHFTGIBOFT-UHFFFAOYSA-N 336.420 4.474 0 1 EIAF C[C@@H](c1ccc(C(F)F)cc1)N1CCC2(CCC(O)CC2)OC1=O 146426781 NHRGOCYEWILMIK-RTYYOJRZSA-N 339.382 4.201 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)c(F)cc3[nH]1)C2 586888112 WHQKCTVRDPPMBV-GUBZILKMSA-N 349.203 4.103 0 1 EIAF Oc1ccccc1C1(c2nc3cccc(Br)c3[nH]2)CC1 586897056 PYEQGIRZJGJPNR-UHFFFAOYSA-N 329.197 4.111 0 1 EIAF COc1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900519 KUJMAPMETZDCAZ-UHFFFAOYSA-N 348.358 4.223 0 1 EIAF Cc1cccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587073451 JBEMDSFWMPQZBC-UHFFFAOYSA-N 337.814 4.140 0 1 EIAF O=C(O)c1cc(F)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079862 HWZBICQDDVCGNO-UHFFFAOYSA-N 343.745 4.057 0 1 EIAF C[C@@H](c1nc2c(Cl)ncnc2[nH]1)c1ccccc1C(F)(F)F 587098063 QMLUBNMYAXNBKU-SSDOTTSWSA-N 326.709 4.177 0 1 EIAF O=C1c2ccccc2-c2cc(-c3[nH]nc4ncccc34)nc3cccc1c23 587105597 ALOCLHJJFVCYQL-UHFFFAOYSA-N 348.365 4.385 0 1 EIAF C[C@]1(c2nc3cc4ccccc4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173835 JYRVUZOKVHMCNC-OAQYLSRUSA-N 346.361 4.484 0 1 EIAF CSc1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216747 LEEIZFQSADTXDM-QGZVFWFLSA-N 339.464 4.013 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccc(Cl)c3n1)O2 587378130 ADPTVXPIOTUFFG-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(F)cc3)on1)O2 587385121 RJVGAMQYYQBWJG-GOSISDBHSA-N 338.338 4.078 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CCOC)(c1ccccc1)CC2=O 587479321 HRRNKXSJFXYSJW-NRFANRHFSA-N 340.419 4.242 0 1 EIAF CCc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587624074 XPHLAWBKDNSWGZ-UHFFFAOYSA-N 341.212 4.431 0 1 EIAF OCCc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587959822 WKSFXWBVTIDQMV-UHFFFAOYSA-N 328.415 4.356 0 1 EIAF Cc1cc2c(cc1F)[C@H](c1cc(F)ccc1OC(F)F)NCC2 962148776 UVLWGLZWHNCPFA-MRXNPFEDSA-N 325.305 4.110 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C)n(C2CC2)c1C 963639469 VHMOKGJVERBHMH-LAJNKCICSA-N 340.467 4.081 0 1 EIAF CC[C@@H](O)[C@H](O)CC=CCC=CCC=CCC=CCCCC(=O)O 2356546055 XYDVGNAQQFWZEF-RTBURBONSA-N 336.472 4.158 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3[C@@H](O)[C@@H]2C1 2356597605 NXNOPTGUMNFXAY-AJMRNRSSSA-N 332.440 4.108 0 1 EIAF COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl 3030889 GMYWMMDJXPCPHC-UHFFFAOYSA-N 343.210 4.104 0 3 EIAF O=C1CCC(c2ccc(Cl)cc2)=NN1c1nsc2ccccc12 5844078 DWFPROYEIKXIBY-UHFFFAOYSA-N 341.823 4.481 0 1 EIAF Cc1nc2c(-c3ccc(O)cc3)c(-c3cccc(O)c3)nn2c(C)c1C 13585018 MKEZPMZNRSTNJQ-UHFFFAOYSA-N 345.402 4.400 0 1 EIAF O=c1c(NCCC2=CCCCC2)nccn1-c1ccc(Cl)cc1 21536932 ZAISOOCSBLEQHZ-UHFFFAOYSA-N 329.831 4.188 0 1 EIAF Fc1ccc(-c2cncc(CN3CCN(c4ccccc4)CC3)c2)cc1 26169054 OCWWFSWSVBBJST-UHFFFAOYSA-N 347.437 4.210 0 1 EIAF CC(C)n1cnc2c(Nc3nc4ccccc4s3)nc(Cl)nc21 26647696 ZOMRGBFGIOXWSS-UHFFFAOYSA-N 344.831 4.414 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O[P@](C)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 26954266 MFPOGGYYMUEFHY-VXNCWWDNSA-N 348.379 4.306 0 1 EIAF CN(C)[C@H]1CCC[C@@H]1N(C(=O)C1CC1)c1ccc(Cl)c(Cl)c1 28234601 SQHRPYZOIIVCLJ-HOTGVXAUSA-N 341.282 4.219 0 1 EIAF CCOC[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568447 UOFWRCJSMZKWLE-WPPQQNPISA-N 328.452 4.080 0 1 EIAF in-vivo COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]21)C[C@@H]4CO 28641866 HCXQUFPQHLFUCK-GJDYGTDVSA-N 334.500 4.181 0 1 EIAF CCN(C)c1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 82165172 UUAFDDROCFDUSI-UHFFFAOYSA-N 326.375 4.011 0 1 EIAF CCNc1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1 95597984 PERIINIHMVNKKY-UHFFFAOYSA-N 333.435 4.227 0 1 EIAF COc1ccc(-c2ccnc(NC3CCC3)n2)cc1OC1CCCC1 96937575 VPISZZNBSJYNOP-UHFFFAOYSA-N 339.439 4.438 0 1 EIAF CC(C)C[C@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O 100603418 NHOFDKHAIJCGHF-GFCCVEGCSA-N 345.386 4.253 0 1 EIAF O=C(Nc1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O 142291197 OVLKEYNZSRHIDK-UHFFFAOYSA-N 333.174 4.500 0 1 EIAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(-c2ccccc2)cc1 169307751 SICNHFFDVJZRGA-UHFFFAOYSA-N 330.391 4.018 0 1 EIAF CC1(C)C(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)[C@H]1N=O 169721647 LOAOKYZQMWJQRV-GOSISDBHSA-N 341.432 4.176 0 1 EIAF Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3O)cc2F)cn1 224790279 IZFVXHJPEAUWPW-UHFFFAOYSA-N 349.287 4.256 0 1 EIAF OCc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586895109 PBMCTQAKWJTNQT-UHFFFAOYSA-N 337.604 4.138 0 1 EIAF N=C(N)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048339 HFYMYDNPCJKMGW-VHSXEESVSA-N 345.233 4.425 0 1 EIAF Cc1cccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 587144334 LYKFYWIXXVDRSG-ZDUSSCGKSA-N 348.219 4.015 0 1 EIAF Cc1cc(Br)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 587251842 PFQKSNXUGKWKHR-DAXSKMNVSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)[nH]c3ccc(Cl)cc13)O2 587380857 XMEQFVSCTRDFIJ-HNNXBMFYSA-N 342.782 4.124 0 1 EIAF COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401344 WKGNPYHZLQEGDD-IBGZPJMESA-N 333.387 4.446 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)o1)(C(C)(C)C)[C@@H](C2)C3=O 587455740 QBLMWBBFBGFCTC-XOBRGWDASA-N 326.392 4.286 0 1 EIAF CCCCCn1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 587476127 PKAXRXHJGMPZDK-IBGZPJMESA-N 342.439 4.438 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC[C@H]1C 587486467 LCOBQGAMIZACGA-ASSNKEHSSA-N 338.403 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCCO3)CC2=O 587493736 VONFSPPDMAVVAI-HXUWFJFHSA-N 338.403 4.376 0 1 EIAF COC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587812396 QORUCOIFYADCIB-BMIGLBTASA-N 342.252 4.123 0 1 EIAF CC(C)SC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587839505 HJWLREGDKDJHJH-SKDRFNHKSA-N 332.282 4.305 0 1 EIAF COc1cccc([C@H](C)Cc2nc3cc(Br)ncc3[nH]2)c1 587931892 PEFSAAXAIXYICB-SNVBAGLBSA-N 346.228 4.075 0 1 EIAF O=C1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 653802171 CYWRAMYLPHSXOQ-UHFFFAOYSA-N 342.398 4.322 0 1 EIAF Fc1ccc([C@H](Cn2cncn2)OCc2ccc(Cl)cc2)c(F)c1 1857655162 ODZQWMXYOPOBLV-KRWDZBQOSA-N 349.768 4.168 0 1 EIAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc(F)cc3F)nc2c1 1911570565 NETWRZHGRNIPEM-QHCPKHFHSA-N 337.262 4.343 0 1 EIAF Fc1ccc(Cn2cnc3c(Sc4ccccc4)ncnc32)cc1 13608674 IHJWHIRJWNFCOO-UHFFFAOYSA-N 336.395 4.165 0 1 EIAF in-vivo Cc1cc(Cl)cc(Oc2cccc(Cc3ccc(=O)[nH]n3)c2)c1 40406260 WUIGVHJAINUEJV-UHFFFAOYSA-N 326.783 4.115 0 1 EIAF O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 40407884 GSXRIRHZIVNZEF-UHFFFAOYSA-N 349.409 4.236 0 1 EIAF Oc1nc2cc(-c3cccc(Br)c3)nn2c2ccccc12 43019114 AZWOKBYQQBHWPT-UHFFFAOYSA-N 340.180 4.018 0 1 EIAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(C)c3)c2)on1 45261758 GNHXTTRYKPIABE-UHFFFAOYSA-N 337.375 4.406 0 1 EIAF Clc1ccccc1-c1nc(CN2CCC[C@H]2CN2CCCC2)co1 66536159 CGSIUMBQVZJJIO-INIZCTEOSA-N 345.874 4.055 0 1 EIAF COc1ccc2[nH]c(C[C@H](CC(=O)O)c3ccc(Cl)cc3)nc2c1 72116806 QTMRMRURIQFHFC-GFCCVEGCSA-N 344.798 4.026 0 1 EIAF COc1ccc(/C=C/c2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1 72170838 RCNUWOYWNOKITB-MLIGFJTESA-N 337.400 4.190 0 1 EIAF CS(=O)(=O)c1ccc(-c2cc(N)sc2-c2ccc(F)cc2)cc1 101262650 FBBOESAEZPLRTI-UHFFFAOYSA-N 347.436 4.207 0 1 EIAF S=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1 142319154 ZYZOYAFWDNUIHL-UHFFFAOYSA-N 335.388 4.322 0 1 EIAF Cc1cc(/C=C/c2ccccc2)cc(C)c1OC[C@@H](O)CNC(C)C 169318869 CLOFEWDUIYXVKS-ZJVMWOEPSA-N 339.479 4.212 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169338808 NNSRXNWUJQJDLG-OVPZBUQLSA-N 347.543 4.094 0 1 EIAF COc1cc2ccc([C@](O)(c3cccnc3)C(C)C)cc2cc1OC 169338907 CRZKGBDGHDTLNN-NRFANRHFSA-N 337.419 4.144 0 1 EIAF COCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 205299451 MGVAKCXUPMDXHO-UHFFFAOYSA-N 345.782 4.212 0 1 EIAF CC[C@H]1CN(C)CC[C@H]1CC[C@H](O)c1ccnc2ccc(OC)cc12 238775595 RDFOTJWPILJKAI-MRUHUIDDSA-N 342.483 4.035 0 1 EIAF COc1ccc(-c2nc(-c3c[nH]c4ccccc34)cnc2O)cc1OC 299837465 ONVVUEVVSLVBGZ-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF FC1(F)Oc2cc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2O1 586885166 KMZHPBNTKWDGGX-KZULUSFZSA-N 340.329 4.256 0 1 EIAF c1cc(CSCc2nc3cc4c(cc3[nH]2)OCCCO4)cs1 587024756 BQCSVBHPXCMFCK-UHFFFAOYSA-N 332.450 4.219 0 1 EIAF Cc1onc(-c2nc3ccncc3[nH]2)c1COc1ccccc1Cl 587063818 YPASCJPZQHTROU-UHFFFAOYSA-N 340.770 4.154 0 1 EIAF Cc1ccc2c3c(cc(-c4cc(C)n(C)n4)nc13)-c1ccccc1C2=O 587097175 MABUTBPGAVVJTK-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF Fc1ncc(Br)cc1-c1nc2cccc(Cl)c2[nH]1 587178225 VXJFXSCYEJCZTL-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Br 587207644 IFXJIPJIARHHFG-UHFFFAOYSA-N 325.209 4.345 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)c1 587233143 JHISLUZOLTYCAK-UHFFFAOYSA-N 330.391 4.342 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(F)c1Cl)[C@@H](C2)C3=O 587424558 PEXYNUYBHRBBJT-KPZWWZAWSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(F)c1O)CC2=O 587466443 NVRCYJUPVQXOOZ-MRXNPFEDSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC)c1)CC2=O 587471883 WJALUNPEXILROQ-FQEVSTJZSA-N 325.408 4.267 0 1 EIAF CCCc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587496170 RZSUEFDWUPWLKV-HNNXBMFYSA-N 331.437 4.460 0 1 EIAF Cc1cncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587773487 JEFZRRUAABRYQX-QGHHPUGFSA-N 349.247 4.224 0 1 EIAF Cc1cccnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774779 XRARTZCFTBMQMA-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF c1ccc(CN2CC3(C2)NCCc2cccc(-c4ccccc4)c23)cc1 962673204 XYJLJHHIIMDOAZ-UHFFFAOYSA-N 340.470 4.210 0 1 EIAF COc1ccc2c(c1)CC[C@]1(CCCCN1CCc1ccccc1)C2=O 1772584850 WMBGIGHKKWCSNQ-HSZRJFAPSA-N 349.474 4.292 0 1 EIAF COc1ccc(C(=O)CCc2cn3c(n2)sc2ccccc23)cc1 1857559167 UXKUBNFCXMIQSH-UHFFFAOYSA-N 336.416 4.373 0 1 EIAF C[C@@H]1C(=O)N(C)c2ccc(N[C@H]3CCc4ccccc43)cc2N1C1CC1 1857630993 FYPQDBIFKNYTOD-KUHUBIRLSA-N 347.462 4.120 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 2356395217 NITWZXGUPPFECT-NOUYOMCBSA-N 330.424 4.257 0 1 EIAF ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 13557254 AGVIFWRZNWSNSR-UHFFFAOYSA-N 342.196 4.162 0 1 EIAF CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)c(O)cc2O1 14683154 FVHSNXLHIGTMBF-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF biogenic COCCN(C)CC[C@@]12CCCC[C@@H]1C=Cc1ccc(OC)cc12 29474433 QNUFJOQESAKGMI-NQIIRXRSSA-N 329.484 4.118 0 1 EIAF Cc1cccnc1Nc1nc2ccc(C(=N)NC(C)C)cc2s1 40898518 FPNDRECDEHXQLE-UHFFFAOYSA-N 325.441 4.067 0 1 EIAF O=C1OCc2cc3c([nH]c4ccccc43)c(-c3ccc4c(c3)OCO4)c21 64750427 XHLXJGVDNPFCOK-UHFFFAOYSA-N 343.338 4.387 0 1 EIAF COc1ccc(N2C(=N)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 69061625 GUUSCZWLIBLPRZ-UHFFFAOYSA-N 345.811 4.100 0 1 EIAF Cc1nc(SCC(=O)c2ccccc2)nc(O)c1CCC(C)C 100896765 BCLTUTBEQRDCSF-UHFFFAOYSA-N 330.453 4.054 0 1 EIAF Nc1nc(-c2ccc(Cl)cc2)cc(-c2cc3ccccc3oc2=O)n1 103206069 NEVFKBJLXPUENS-UHFFFAOYSA-N 349.777 4.153 0 1 EIAF CC[C@@H](C)Oc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl 103291760 GFMXROCANGIJCW-SECBINFHSA-N 341.766 4.434 0 1 EIAF COC(=O)C1=C(O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)N=C1C 103541431 QXVDEUZKENGSTJ-NTEUORMPSA-N 343.766 4.401 0 1 EIAF CCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24O3 253640248 JTVHQWNUCRXUJU-DCGFJQNMSA-N 336.472 4.414 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2c1 586900970 FSHIMSKHBIFDDP-IUODEOHRSA-N 343.224 4.203 0 1 EIAF CCOC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993594 YIWCNRJVYPWKES-GFCCVEGCSA-N 345.398 4.218 0 1 EIAF CC(C)(C)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2n1 587059954 WBLYIHPQQIMATO-ZDUSSCGKSA-N 328.847 4.151 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@H]4CC(=O)O)-c1ccccc1C2=O 587101117 JYARWFWZODJBFT-LBPRGKRZSA-N 343.382 4.259 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587168952 ONKBRVIELQHGJU-LLVKDONJSA-N 340.333 4.167 0 1 EIAF C[C@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351836 HLXVUKJMBFTCMF-UYAOXDASSA-N 326.367 4.449 0 1 EIAF CC1(C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354718 RFKDCXHAALVWNM-KRWDZBQOSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cccc3ccncc13)O2 587394396 GHSLKQIGGZJZBT-INIZCTEOSA-N 332.403 4.092 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cnc3ccccc3c1)O2 587396187 XKVFFQPCWRVOKE-MRXNPFEDSA-N 332.403 4.092 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(C)c1OC(F)F)[C@@H](C2)C3=O 587421491 LGNFLEWCQAZUPU-UGSOOPFHSA-N 346.329 4.094 0 1 EIAF CCOc1ccc(CC)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439789 DFCKRXMKMAAUDD-IERDGZPVSA-N 338.403 4.145 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4SC[C@@H]1C)[C@@H](C2)C3=O 587453545 QYUVRNRQWMQTHF-UYHHGJEOSA-N 338.428 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)CC1CCOCC1)CC2=O 587482298 DRQAARVKAFTEEB-ORAYPTAESA-N 332.440 4.131 0 1 EIAF O=C1C[C@@H](c2cc(Br)no2)Oc2c1ccc1c2CCCC1 587498736 PSIKKJCHZXFPDJ-ZDUSSCGKSA-N 348.196 4.022 0 1 EIAF O=C1C[C@H](c2c(F)ccc(O)c2F)Oc2c1ccc1c2CCCC1 587505156 KXCVKVCUAVBOIQ-MRXNPFEDSA-N 330.330 4.256 0 1 EIAF O=C(O)c1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531065 JCRJVXKZTLSJLE-OAHLLOKOSA-N 328.389 4.032 0 1 EIAF O=C([C@H]1Cc2ccccc2[C@H](CCCc2ccccc2)N1)C(F)(F)F 962729688 JIFFCSMOVBRQFE-ZWKOTPCHSA-N 347.380 4.396 0 1 EIAF Cc1nn(-c2ccccc2)cc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963088532 FQKCSYBFHGVJDD-AVRDEDQJSA-N 347.437 4.430 0 1 EIAF CCO/C=C\[C@]1(C(F)(F)F)c2ccc(F)cc2C[C@H]2CCCN21 963097233 FVYOKHDPSVAORU-LMQOONNDSA-N 329.337 4.154 0 1 EIAF Clc1cc(Cl)c2c(c1)[C@]1(C=Cc3ccccc3OC1)NCC2 963101302 ADQYIZJWBPEGJR-GOSISDBHSA-N 332.230 4.440 0 1 EIAF Cn1ccc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1C(F)F 963110549 QORMGFKHRLSJNB-ORAYPTAESA-N 334.385 4.386 0 1 EIAF Cc1cc(CCC(=O)O)ccc1OCc1ccccc1Br 1772604991 QSILTNPYMMSWTQ-UHFFFAOYSA-N 349.224 4.354 0 1 EIAF Cc1cccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)c1 1857612913 JRGLHUFNZUQJNB-UHFFFAOYSA-N 326.403 4.364 0 1 EIAF Oc1nc2ccccc2cc1-c1nc2ccc(Br)cc2[nH]1 1857650148 VOECVANYCBHRHG-UHFFFAOYSA-N 340.180 4.246 0 1 EIAF CC[C@H](C(=O)NC1CCCC1)n1c(-c2ccccn2)nc2ccccc21 95598986 YFRXUJNQXQCYCZ-GOSISDBHSA-N 348.450 4.108 0 3 EIAF CC(=O)c1cc(-c2ccc(-c3ccccc3)c(F)c2)c(=O)n2c1CCC2 203460925 GFAPMHDIJZWCAI-UHFFFAOYSA-N 347.389 4.470 0 3 EIAF COc1ccc(C(=O)O[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684594 CYRIGJVBFJYAQD-GOSISDBHSA-N 347.842 4.198 0 1 EIAF O=C(Nc1ncnc2oc(-c3ccc(F)cc3)cc12)C1CCCC1 14946148 KNSAFCHDUCVCQH-UHFFFAOYSA-N 325.343 4.158 0 1 EIAF O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc2[nH]ncc2c1 28642186 QFYWQJFCTRAAGF-UHFFFAOYSA-N 335.194 4.191 0 1 EIAF COc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl 29126459 BMCXSUWZLWEQIW-UHFFFAOYSA-N 335.194 4.326 0 1 EIAF Cc1ccc2[nH]cc/c(=N\C(=O)Nc3cccc(C(F)(F)F)n3)c2c1 63298413 YEKVTSRZMPLPFK-UHFFFAOYSA-N 346.312 4.023 0 1 EIAF O=C1c2ccc(-c3nc4ccccc4s3)cc2N=C[C@@H]2CCCN12 73257960 NQNDLXVWMPQMDV-ZDUSSCGKSA-N 333.416 4.284 0 1 EIAF COc1cc2cncc(Cc3cnc4ccc(O)cc4c3)c2cc1OC 145095207 JFUGSXVSZYYBST-UHFFFAOYSA-N 346.386 4.097 0 1 EIAF COc1cc(NCCCN)c2nccc(C)c2c1Oc1ccccc1 299840254 WLTCBOWLOHOVNF-UHFFFAOYSA-N 337.423 4.105 0 1 EIAF COc1ccc2c(c1OC)-c1ccc3cc4c(cc3c1N(C)C2)OCO4 473083633 CEHUJSSTUSTDJG-UHFFFAOYSA-N 349.386 4.203 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(C)c2[nH]1 586964417 ZBEKRIASQBZZSW-GFCCVEGCSA-N 332.404 4.058 0 1 EIAF CO/C=C(\C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586992135 OIOPFJLPMPVXGK-ZHACJKMWSA-N 331.371 4.467 0 1 EIAF COc1cnc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1Cl 587064432 KCBBDPITCGWNHV-UHFFFAOYSA-N 345.683 4.445 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 587080089 QTZWNAOWYQSROU-JTQLQIEISA-N 346.818 4.212 0 1 EIAF Cc1cc(F)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 587119252 RVGOSODVHBOWEW-UHFFFAOYSA-N 338.308 4.151 0 1 EIAF Cc1c(Br)ccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177660 SFTCSUSODCOYNA-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(F)cc2[nH]1)C(C)(C)C 587203200 DBIDWYRNWIGKML-CQSZACIVSA-N 335.423 4.184 0 1 EIAF Clc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230671 WTWMLOQBLIQTLT-UHFFFAOYSA-N 335.798 4.285 0 1 EIAF Cc1ccc(CCc2nc3cc(Br)cc(F)c3[nH]2)cc1N 587250827 QCECVCSBQJECCZ-UHFFFAOYSA-N 348.219 4.140 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)nc1Cl)O2 587380971 ZCEFNLCETKJHIW-INIZCTEOSA-N 337.206 4.160 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@H](C)c1cccc(Cl)c1)[C@@H](C2)C3=O 587417890 FOZLDNIWRJIQPE-RSXSOOJNSA-N 328.795 4.268 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O)c1Cl)CC2=O 587460370 FRHNHQGLCSWKIT-MRXNPFEDSA-N 332.783 4.410 0 1 EIAF COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1C 587565809 KVAHEQOKVLSRPH-UHFFFAOYSA-N 340.423 4.494 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2)N1 587731088 GWCRNNXEMFFBAZ-ABKXIKBNSA-N 338.195 4.351 0 1 EIAF Cc1nc(C)c([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)o1 962396071 FAEVIHYGXNIHLW-LJQANCHMSA-N 341.480 4.013 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@@H]1C 2356475888 UBSPYRWVKFNYNH-YSCXQKKWSA-N 330.424 4.028 0 1 EIAF Cc1ccc(-n2ncc3c(SCc4ccccn4)ncnc32)c(C)c1 4271750 UUFHLQAYRSNGID-UHFFFAOYSA-N 347.447 4.120 0 3 EIAF O=C(c1ccc2c3c(ccc(C(=O)C(F)(F)F)c13)CC2)C(F)(F)F 1613912 XMXQABLRJYALBF-UHFFFAOYSA-N 346.226 4.428 0 1 EIAF CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 13475342 IOFIZWDNAAFVLM-UHFFFAOYSA-N 343.430 4.182 0 1 EIAF COCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 13746604 SQXJYNCVTMWQFT-IDPBPBMLSA-N 328.452 4.024 0 1 EIAF CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 16082001 OWGJQNXIWMMDTH-GXRSIYKFSA-N 339.479 4.087 0 1 EIAF O=C(O)CSc1ccc2c(-c3ccccc3F)noc2c1Cl 27517307 RWIVQSBSUUVXRE-UHFFFAOYSA-N 337.759 4.464 0 1 EIAF Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 28642013 BRYHDLMQBIINCD-UHFFFAOYSA-N 340.858 4.293 0 1 EIAF c1ccc(-c2nc(N3CCOCC3)c3sc4ccccc4c3n2)cc1 28707083 UYCZQGASZWBHHA-UHFFFAOYSA-N 347.443 4.348 0 1 EIAF COc1cc(-c2ccc3c(c2)Nc2c(O)cccc2NC3=O)ccc1O 43016190 KDJGCVHPUMHUOL-UHFFFAOYSA-N 348.358 4.083 0 1 EIAF COc1ccc(-c2ccc(C(=O)CCCCCO)cc2)c(OC)c1 58592379 QZXHAGJYIXQBFP-UHFFFAOYSA-N 328.408 4.106 0 1 EIAF Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C 66074161 NLVRAFZOIMAUKQ-UHFFFAOYSA-N 331.441 4.079 0 1 EIAF COc1cc(/C=C/c2cc(Br)ccc2O)cc(OC)c1 299835128 LSXZMQMMFUDNCT-ONEGZZNKSA-N 335.197 4.342 0 1 EIAF O=C1O/C(=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)c2ccccc21 586907112 SCRDMVOLNFJMQT-WDZFZDKYSA-N 332.693 4.163 0 1 EIAF Nc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1N 587050010 NYHLGXMDLVFEIQ-YUMQZZPRSA-N 333.222 4.305 0 1 EIAF COc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2n1 587083815 NHQRVBFNESYGIN-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1F 587147086 FDBOUWSNDBSWQF-UHFFFAOYSA-N 342.324 4.356 0 1 EIAF O=C(/C=C/c1nc2cc(Cl)c(F)cc2[nH]1)Nc1ccc(F)cc1 587167819 XHWPRKPDLMMIDV-AATRIKPKSA-N 333.725 4.146 0 1 EIAF C[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O 587206819 NNIUVLJBSKBWCE-NWDGAFQWSA-N 343.382 4.197 0 1 EIAF Cc1cc(=O)oc2c(-c3cc4c5c(cccc5n3)CC4)c(O)ccc12 587216166 UOVPRUXMDCSHAU-UHFFFAOYSA-N 329.355 4.121 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4ccc(CCO)cc4[nH]3)ccc2c1 587935917 WFMZFTMPKOBSTK-CQSZACIVSA-N 346.430 4.411 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3[nH]cc(C=O)c3c2)N1 962951501 OBKMDIVEIUWYFT-VFNWGFHPSA-N 343.430 4.475 0 1 EIAF Cc1cccc(Nc2ncccc2C(=O)NCc2cccs2)c1C 1340842 NMZHSGYSKDRHLZ-UHFFFAOYSA-N 337.448 4.434 0 3 EIAF O=C(c1ccccc1)[C@H]1Nc2ccc(Cl)cc2[C@H]2OCCC[C@@H]12 5810600 BDGAMEFZKMBGBT-FNHZYXHNSA-N 327.811 4.485 0 1 EIAF CC[C@@H](C)NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 6950131 JEENTBYYHNLEFP-CQSZACIVSA-N 335.403 4.297 0 1 EIAF CC(C)=CCN1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 12034938 DHVKQZZSRTZWCN-NRFANRHFSA-N 337.463 4.123 0 1 EIAF COc1ccc2oc(CC3CCCCC3)c(CCNC(C)=O)c2c1 13474347 MYGLZDVPQSWXNY-UHFFFAOYSA-N 329.440 4.243 0 1 EIAF Oc1ccc(-c2cn(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1 13674389 QMBKCXICBFNDDL-UHFFFAOYSA-N 344.370 4.323 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CCO[C@H]1N2C 13684319 AGOPIOMWLMAZHS-UYAOXDASSA-N 338.407 4.060 0 1 EIAF O=C(OCCN1CCCCCC1)[C@@H](c1ccccc1)c1ccsc1 13864162 KSLPMGPWGNSRTD-IBGZPJMESA-N 343.492 4.299 0 1 EIAF CC1(C)[C@H]2C[C@](C)(Cl)[C@@H](Sc3nnnn3-c3ccccc3)C[C@H]21 17220794 OQEQNRBNOUUEML-FHIRATQRSA-N 348.903 4.187 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26483843 IAPLTZHXXFXFMM-SCMUXVNPSA-N 328.452 4.479 0 1 EIAF Oc1ccc(C2=Cc3ccc(O)cc3O[C@H]2c2ccc(O)cc2)cc1 26957001 IZPZSLYHQNABBJ-NRFANRHFSA-N 332.355 4.478 0 1 EIAF Cc1cc2c(o1)c(-c1ccc(C(=O)O)cc1)nn2Cc1ccccc1 28713402 WDQSXMODMVXPLZ-UHFFFAOYSA-N 332.359 4.351 0 1 EIAF CN(C)c1ccc(Oc2ccc(Cl)cc2Cl)c(CC(=O)O)c1 28766989 FDKMLRHTMHLQRC-UHFFFAOYSA-N 340.206 4.479 0 1 EIAF O=c1c2ccccc2c2c(n1Cc1ccccc1)-c1ccccc1[C@@H]2O 29129425 ADLKKNYKCKAUGG-QFIPXVFZSA-N 339.394 4.112 0 1 EIAF CCCCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821474 YKJNNNVZUUQNHM-MOPGFXCFSA-N 349.858 4.454 0 1 EIAF CCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12 66101971 BXDXCLQHRXLCQE-UHFFFAOYSA-N 348.446 4.287 0 1 EIAF C[C@H](Oc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl 72124813 FOPXVPTXHFPBSK-NSHDSACASA-N 329.762 4.471 0 1 EIAF Nc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2Cl)o1 103263230 HLULARTTXCHVHN-UHFFFAOYSA-N 336.178 4.342 0 1 EIAF FC(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 114879485 LNJRDFHCHGQUJZ-UHFFFAOYSA-N 329.228 4.017 0 1 EIAF Cc1c(C)c(O)c(/C(=C/CCCCO)c2cccnc2)c(C)c1O 169712479 KNAOMBWWMLPNNT-RQZCQDPDSA-N 327.424 4.012 0 1 EIAF CN(C)[C@H]1CC[C@H](Nc2ncnc3sc4ccccc4c23)CC1 299819417 CTQOHWQVVRHQMR-JOCQHMNTSA-N 326.469 4.129 0 1 EIAF CCCCCc1cc2c(Cc3cccc(CN)c3)cccc2[nH]c1=N 473119767 MJTYFAQITQYOAV-UHFFFAOYSA-N 333.479 4.430 0 1 EIAF in-vitro C[C@H]1C(=O)c2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586991120 JBVAXHKKKJXQGL-NXEZZACHSA-N 329.355 4.088 0 1 EIAF COc1ccc(-c2nc3cccc(Br)c3[nH]2)c(Cl)n1 587088170 UDNYARDFUXOADS-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Fc1cc(F)c(-c2nc3ccc(Cl)nc3[nH]2)cc1Br 587137792 LOYUHUJCQWWSHH-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(C)(C)C)O2 587398947 GUQQDHBCVQQTQS-GOSISDBHSA-N 325.408 4.461 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1-c1ccsc1)O2 587415234 YRHKOMSSZYDNGR-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(OC)ccc31)CC2=O 587476149 DNHCKJDXNFNPLC-NRFANRHFSA-N 338.403 4.160 0 1 EIAF CCn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587759238 ZSHWYDFRKUZVBS-QFYYESIMSA-N 337.236 4.033 0 1 EIAF CCOc1ccc(OCC)c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1 587779210 YUDFDGJAVNLDSX-UHFFFAOYSA-N 331.803 4.384 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CCOCC1 587865898 OHOHKAHCLQEQFY-UHFFFAOYSA-N 340.345 4.319 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3c(Br)ccnc3[nH]2)c1 587931764 NRGFFGNDXRERRL-JTQLQIEISA-N 346.228 4.075 0 1 EIAF CC(=O)Nc1ccc(-n2cc(-c3ccc4ccccc4c3)nn2)cc1 1772642591 IIQONODPFXFUHM-UHFFFAOYSA-N 328.375 4.046 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](C)C(C(=O)O)=C3CC[C@@H]12 2356668760 ANHLKXBWFSLYAB-JEDNSWDISA-N 334.456 4.193 0 1 EIAF O=C(N1CCC[C@@H]1c1noc2cc3ccccc3cc12)C(F)(F)F 206029231 QSOUJTCMEVQQJQ-CYBMUJFWSA-N 334.297 4.207 0 3 EIAF Cc1cc(N2CCC(N(C)C3CCCC3)CC2)nc2cc(O)ccc12 4961455 ZBEYYYXTWXCHPH-UHFFFAOYSA-N 339.483 4.092 0 1 EIAF CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1C 28956610 HEXHTNOOWJEAIK-UHFFFAOYSA-N 331.799 4.468 0 1 EIAF O=C(N[C@H](C/C=C/C1=CCCCC1)C(=O)O)c1ccc2ccccc2c1 49073324 CVBHCSXOSPOTJO-AQDCRGGLSA-N 349.430 4.470 0 1 EIAF c1cn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2cn1 66066153 BZQVGLXPUAZILB-UHFFFAOYSA-N 332.411 4.017 0 1 EIAF O=C(Nc1ccc(F)cc1)c1ccc(N2CCc3ccccc3C2)nc1 95588387 BIMIXTCGODICMR-UHFFFAOYSA-N 347.393 4.036 0 1 EIAF CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(F)c2)n1 103261680 SMJHQKWSZLGTFB-UHFFFAOYSA-N 348.385 4.014 0 1 EIAF Cc1cccc2c1N(C(=O)CSc1ncccc1Cl)CCC2 113623753 OFWFWXOQRODVCI-UHFFFAOYSA-N 332.856 4.115 0 1 EIAF O=C1N(c2cc(Cl)nc(Cl)c2)CCN1c1cnccc1C1CC1 143919244 LUFASCUCLQNEGA-UHFFFAOYSA-N 349.221 4.107 0 1 EIAF CCC(=O)[C@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@@H]2CC[C@@H]1N2C 169307431 NBXHPPSAAQZXHP-UFGBVDADSA-N 337.463 4.394 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12 205351858 HPSVQYWQVLFPRF-UHFFFAOYSA-N 341.794 4.210 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 254093148 NVLJYIBBEXBONT-SPNIDBEGSA-N 340.555 4.005 0 1 EIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587028626 XSBWBQXCEFSMCM-UHFFFAOYSA-N 349.341 4.404 0 1 EIAF Cc1ccc2c3c(cc(-c4ccc(=N)[nH]c4)nc13)-c1ccccc1C2=O 587098078 MYFBXURCCKUCGQ-UHFFFAOYSA-N 337.382 4.229 0 1 EIAF Cc1cc(C)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 587117593 UYDVWXDVQMQDFJ-UHFFFAOYSA-N 328.725 4.252 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(CCO)cc2[nH]1 587171327 MJMBWHNTYJDILL-GFCCVEGCSA-N 330.428 4.133 0 1 EIAF Cc1ccnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587196664 UXVUASOGTDRDII-UHFFFAOYSA-N 328.419 4.473 0 1 EIAF CCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348693 ANPUFUXTZSRTMM-AZUAARDMSA-N 342.366 4.018 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1Cl)CC2=O 587462852 RPADXSIZBXGLJH-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccnc1)CC2=O 587469828 GLWWUGGQUNVAJW-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc(F)c12 587632695 HXYPXQQXKKNSOQ-UHFFFAOYSA-N 345.757 4.373 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccn2)N1 587773290 QEMABDVEKREKNX-APPDUMDISA-N 349.247 4.191 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C=O)N1 587818995 KHRFGSSVLRZONZ-DYZYQPBXSA-N 348.215 4.024 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCSC2)N1 587854037 BBNRFYDOYACBEZ-XDMRBOTDSA-N 344.293 4.307 0 1 EIAF N=c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c[nH]1 587951443 ZZMFADBPPCBJCF-ZHACJKMWSA-N 328.375 4.333 0 1 EIAF COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1C 587971151 UVDDDXPVFMKOFJ-UHFFFAOYSA-N 334.419 4.309 0 1 EIAF C=C(NOCCCC(F)(F)F)c1cccc(Br)c1F 957615217 IWDLDXKPJBYCCU-UHFFFAOYSA-N 342.130 4.423 0 1 EIAF Fc1cccc(CN=c2ccc(NCc3cccc(F)c3)c[nH]2)c1 1857547677 HPAPBHVJEGFLIO-UHFFFAOYSA-N 325.362 4.006 0 1 EIAF CCSc1nnc(Cc2ccc(OC)cc2)n1-c1ccc(C)cc1 1857759288 AUGNRQBQOVIAOV-UHFFFAOYSA-N 339.464 4.287 0 1 EIAF COc1cc(C=CC=CC=CC=Cc2[nH]ccc2Cl)oc(=O)c1 2356402741 ORHPDAGHBWRDQP-UHFFFAOYSA-N 329.783 4.469 0 1 EIAF COc1ccccc1Nc1cc2cc(Br)ccc2c(=O)[nH]1 15952501 BRQGBZKOHQRHQP-UHFFFAOYSA-N 345.196 4.043 0 3 EIAF O=C1c2ccccc2CC[C@H]1C1CCN(Cc2ccc(F)cc2)CC1 13734270 FGSCFTOUFZMXKB-NRFANRHFSA-N 337.438 4.483 0 1 EIAF c1ccc(CCCSc2nsnc2[C@H]2CN3CCC2CC3)cc1 26732711 SVAVYRNWONVTRG-INIZCTEOSA-N 345.537 4.072 0 1 EIAF CCOC(=O)Cc1nc(-c2ccc(C)cc2)oc1-c1ccsc1 27077354 IQXALNXIGMBNEW-UHFFFAOYSA-N 327.405 4.484 0 1 EIAF CCOC(=O)[C@]12C[C@@]1(C1CCCCC1)c1cc(Cl)ccc1NC2=O 34821500 DVSDTEGCUCSBLW-RTBURBONSA-N 347.842 4.063 0 1 EIAF Cc1ccccc1-c1nc(CN(CCN(C)C)Cc2ccccc2)co1 72103799 SKCYOPDSDFJVLM-UHFFFAOYSA-N 349.478 4.214 0 1 EIAF Cc1ccc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1 96282669 XVWGGOXBAAKLJP-UHFFFAOYSA-N 335.451 4.403 0 1 EIAF O=C(Nc1cccc(F)c1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 166047880 BDUSHFOGEMXXCO-RZDIXWSQSA-N 346.377 4.477 0 1 EIAF CCC(CC)OC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 169372296 SSMWNQCHCRSYNE-RNQOJCNYSA-N 329.484 4.293 0 1 EIAF Cc1ccc(-c2nc(-c3nc4cccc(C(N)=O)c4[nH]3)c(C)s2)cc1 587013298 SOURAQTVFAGDJO-UHFFFAOYSA-N 348.431 4.069 0 1 EIAF Fc1ccc(-c2cn3c(Cc4nc5cnccc5[nH]4)csc3n2)cc1 587166049 LJHWGKWKASNWAX-UHFFFAOYSA-N 349.394 4.064 0 1 EIAF O=C1c2ccc(O)cc2OC2(CCSCC2)[C@@H]1c1ccc(F)cc1 587374739 PUPIGDJSCWWJCS-QGZVFWFLSA-N 344.407 4.156 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)ccnc1Cl)O2 587378685 DEWHWYCUDREZKC-INIZCTEOSA-N 337.206 4.160 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1c1ccc(F)cc1)O2 587386450 YSZPCGNFGZGHFT-UZLBHIALSA-N 325.383 4.388 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587419610 DBGZPSOEDPQDPZ-GUYCJALGSA-N 334.293 4.203 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O)c1Cl)CC2=O 587460367 FRHNHQGLCSWKIT-INIZCTEOSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c(N)c1)CC2=O 587468909 FDOINDCMVRNAMY-HXUWFJFHSA-N 325.408 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)o1)CC2=O 587474508 HQRFTCQBFXMLFE-GOSISDBHSA-N 341.407 4.244 0 1 EIAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587790198 IBTQTHLNJZKBJG-HWPZZCPQSA-N 337.236 4.157 0 1 EIAF CN(C)C(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587968615 VGNCQRFATGKEOL-UHFFFAOYSA-N 335.451 4.104 0 1 EIAF CC(C)CC[C@@H](C)N[C@H]1C=C(c2ccc3ncsc3c2)N=CN1C 653686240 KSWVWHLHTUQESH-AUUYWEPGSA-N 342.512 4.351 0 1 EIAF Cc1[nH]nc2ccc(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc12 1772583175 QXNLDTWVURNIRW-KRWDZBQOSA-N 325.799 4.112 0 1 EIAF COc1cc2c3c(c1)-c1c(cccc1OCCCF)C[C@H]3N(C)CC2 1857564759 BSDGXIIGFHRFPR-GOSISDBHSA-N 341.426 4.186 0 1 EIAF Fc1ccc(OCc2nc3cc(-c4cccs4)cnc3[nH]2)cc1 1857577861 MGNMDAZJXAFCPJ-UHFFFAOYSA-N 325.368 4.405 0 1 EIAF CCC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 4151610 OPDBPJWZYLLHKS-ZYKZSJFPSA-N 344.451 4.141 0 1 EIAF CCN(CC)CCC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 5722581 AZBIGTAPZFFJAP-FQEVSTJZSA-N 338.451 4.038 0 1 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1cccnc1 5932868 JFANHGZJNLPYDA-AWEZNQCLSA-N 325.220 4.167 0 1 EIAF CC(C)Nc1nc2ccc(Cl)cc2n2c(-c3ccccc3)nnc12 26294651 FCSAYHXPCNJZPC-UHFFFAOYSA-N 337.814 4.418 0 1 EIAF Clc1cccc(-c2cnc3ccc(NCCc4ccccn4)nn23)c1 28530946 VWHUGDIGTGOTHL-UHFFFAOYSA-N 349.825 4.099 0 1 EIAF CC[C@@]1(C(=O)NCCc2cc(Cl)cs2)[C@H](C)C1(Cl)Cl 103296634 UGXOFPYMLFHVFP-UFBFGSQYSA-N 340.703 4.280 0 1 EIAF c1ccc2c(c1)C[C@H](N1CCCC1)[C@H]2Oc1cccc2cccnc12 147802927 JHELZPVILIIIPL-UGKGYDQZSA-N 330.431 4.375 0 1 EIAF COC[C@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C\c1ccccc1)C2 169354968 ODBOCRLDKFDGTG-JLXBJHMUSA-N 336.431 4.046 0 1 EIAF CC(=O)c1ccc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cc1 586880585 OMJUBTMUTVJSDA-UHFFFAOYSA-N 329.359 4.200 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(F)cc(Br)c3[nH]1)C2 586885242 LGXTZUDUCSYEJB-GUBZILKMSA-N 349.203 4.103 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586888010 JZQCBHJLNXWVDY-VGSWGCGISA-N 346.430 4.040 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)cc2[nH]1 586962766 HJSXSRTYPSIKIK-LBPRGKRZSA-N 334.832 4.264 0 1 EIAF CC(C)N(C)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988202 GIZMOARJCNMETI-UHFFFAOYSA-N 346.430 4.035 0 1 EIAF Cc1cc2c(Br)ccc(-c3nc4cccnc4[nH]3)c2o1 587004086 PJXUUCIKBSTUNP-UHFFFAOYSA-N 328.169 4.442 0 1 EIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587068600 ABUGEDOJKRPPLY-JTQLQIEISA-N 338.213 4.294 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076060 IDGFKHJJJGJYKD-UHFFFAOYSA-N 347.809 4.229 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(F)c(Cl)c1F)O2 587382365 QENAQGUJUZOLGX-LBPRGKRZSA-N 341.716 4.354 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCN3C(C)C)O2 587399601 KSKNUWLETXAIAC-FQEVSTJZSA-N 336.435 4.055 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nc[nH]c3c1)CC2=O 587481807 HSOUNCFXFYGZPB-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF CCCCCOC(=O)C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587484740 UZAJKBSBSNMRNT-FQEVSTJZSA-N 348.439 4.192 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(C)=O)s1)CC2=O 587495792 UGRUJNCIMNQNPA-OAHLLOKOSA-N 330.405 4.315 0 1 EIAF CCOC1=C[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587799144 ANUILMASIKIHBH-MGPLVRAMSA-N 340.236 4.032 0 1 EIAF Cc1ccoc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831472 XGJLANXIRVZGFJ-QFYYESIMSA-N 338.220 4.287 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1CCCC1 587862627 SFRQHUJBIVPQBW-UHFFFAOYSA-N 338.329 4.408 0 1 EIAF CC/C(=C/c1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 587967972 QPIKSSHFDGDIHP-FLIBITNWSA-N 343.228 4.326 0 1 EIAF Cc1c(F)ccc2c1[C@@]1(C[C@@H](c3ccccc3)OC1(C)C)NCC2 962093329 PQXKOTZJKMJVPV-GHTZIAJQSA-N 325.427 4.415 0 1 EIAF CC(C)n1nccc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962692317 AYZWTJWPQVTQNT-KUHUBIRLSA-N 345.487 4.056 0 1 EIAF COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(C)n2)ccc1O 1857636188 JFXLEJPBTXLIKQ-UHFFFAOYSA-N 326.783 4.487 0 1 EIAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61904846 NYTIAQKRHWENLR-HNNXBMFYSA-N 339.313 4.448 0 3 EIAF CCC(=O)O[C@@H](C)c1cccc2oc(=O)c(CC=C(C)C)c(OC)c12 14592189 BBBGOZCECWORCD-ZDUSSCGKSA-N 344.407 4.325 0 1 EIAF biogenic COc1c([C@@H]2COc3cc(O)ccc3C2)ccc(O)c1CC=C(C)C 14819411 ZEJRFMCOSHZBRD-HNNXBMFYSA-N 340.419 4.334 0 1 EIAF endogenous,in-man COc1cccc2nc(-c3cccnc3Oc3ccccc3)oc(=O)c12 43013126 IJTPUAIJPKDZTQ-UHFFFAOYSA-N 346.342 4.051 0 1 EIAF CC[C@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC 66078443 RNCWKUCWPBNWOH-QOEAXWGASA-N 333.516 4.292 0 1 EIAF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82132223 UCEQXILOTRKTLR-UHFFFAOYSA-N 338.455 4.028 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(C=C4OC(=O)C=C4CC3)CC[C@@H]12 85867978 YQGOQPXRMYAFGM-UIFIKXQLSA-N 342.435 4.223 0 1 EIAF CCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705307 KXRWHCYUGNXSTJ-UHFFFAOYSA-N 339.395 4.482 0 1 EIAF CCC(CC)OC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 100728755 SSMWNQCHCRSYNE-VBSBHUPXSA-N 329.484 4.293 0 1 EIAF Nc1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)c1 167624676 NTKGDKVTLSPJEH-UHFFFAOYSA-N 328.375 4.064 0 1 EIAF CN(C(=O)Nc1nonc1-c1ccc(Cl)cc1)c1ccccc1 169320936 UPGSOHNWPIZBRI-UHFFFAOYSA-N 328.759 4.058 0 1 EIAF COC/C=C/c1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 299819325 BZBLMUJVQLRIMM-ONEGZZNKSA-N 338.359 4.497 0 1 EIAF C[C@@H](CC(=O)O)n1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2n1 584630849 VBTUKZLWVNVVNS-VKHMYHEASA-N 342.997 4.081 0 1 EIAF Brc1cncc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882705 AFXNHPHYTYUCNZ-ZGNZKYAMSA-N 332.245 4.188 0 1 EIAF Clc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007485 ZGSQHFOQCJIKQB-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF COc1ccc2nc(-c3nc4c(ccc5ncccc54)[nH]3)sc2c1 587035902 WNKSGSUVWYPZGG-UHFFFAOYSA-N 332.388 4.396 0 1 EIAF Clc1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1Cl 587036532 FELMJIQFMPPMGC-SECBINFHSA-N 340.235 4.183 0 1 EIAF CC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068270 OHQWSUPLTIILRT-UHFFFAOYSA-N 336.782 4.476 0 1 EIAF Cc1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2c(C)n1 587135675 AUFOGCFWIKINAW-UHFFFAOYSA-N 338.155 4.282 0 1 EIAF COc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cn1 587166075 LYPFGKADFRKBAO-UHFFFAOYSA-N 336.370 4.087 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CC(C)C)CN(C)C)CC2=O 587468243 IZAUTONAYTVDCE-VFNWGFHPSA-N 347.499 4.293 0 1 EIAF CCc1cc2c(O)nc(O)nc2nc1[C@@H](CC)Sc1ccoc1C 587563328 RHGLCQKQBJOWIW-GFCCVEGCSA-N 345.424 4.143 0 1 EIAF CCOC(=O)c1c(CN2CCCC2)[nH]c2ccc([C@H](C)CC)cc12 587643284 CQUPHEHTTTZHIO-CQSZACIVSA-N 328.456 4.454 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2)N1 587819337 LTYQGTJDZCKRRP-NHYWBVRUSA-N 334.232 4.406 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OC)cc2[nH]1 587927358 PTTLRBPPDAWQAG-AWEZNQCLSA-N 326.396 4.131 0 1 EIAF COc1ccc(F)cc1[C@@H]1C[C@@H]1CNCc1cccc2cccnc12 1772607267 BAARVIDDZAGAQJ-SJLPKXTDSA-N 336.410 4.276 0 1 EIAF Cn1c2ccccc2c2cc(C(=O)C(=O)Nc3ccccc3)ccc21 1772650296 XWOXFMIVWUWHBW-UHFFFAOYSA-N 328.371 4.153 0 1 EIAF Nc1oc2cnc(F)cc2c1Nc1ccc(F)c(C(F)(F)F)c1 1857767385 WVOVJRXUMHOXMZ-UHFFFAOYSA-N 329.228 4.451 0 1 EIAF C=C(O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C)C(C)=CC 2356735561 JMQSXOUTISUKMD-QGZVFWFLSA-N 326.392 4.372 0 1 EIAF O[C@@H](c1cccc(F)c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61908715 PMCVCOUVHGFEBI-HNNXBMFYSA-N 336.288 4.316 0 3 EIAF CC1(C)[C@H]2C[C@H](Sc3nnnn3-c3ccccc3)[C@@](C)(Cl)C[C@H]21 1634965 OQEQNRBNOUUEML-LOUJCGABSA-N 348.903 4.187 0 1 EIAF Nc1nc(Nc2ccccc2)sc1C(=O)c1c[nH]c2ccccc12 1658110 PBMMBJGJRQANOI-UHFFFAOYSA-N 334.404 4.181 0 1 EIAF COc1ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c(O)c1 5158964 CFIGHBKJMKQTBW-OAHLLOKOSA-N 340.419 4.334 0 1 EIAF biogenic O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NC1CCCC1 12604007 ZPBBYWARRDVCMA-ZPVISIIKSA-N 340.305 4.169 0 1 EIAF Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCc1ccccc1 13560570 GWMSJBLQNHRQIT-UHFFFAOYSA-O 342.466 4.192 0 1 EIAF CC(C)N1CCC(Oc2ccc(CN3CCCCCC3)cc2)CC1 13613438 WXRNQGKALPBTPJ-UHFFFAOYSA-N 330.516 4.314 0 1 EIAF CC(=O)Nc1cccc(-c2cncc(NCCCc3ccccc3)n2)c1 13679285 NBTVCGJHKNPKQV-UHFFFAOYSA-N 346.434 4.147 0 1 EIAF CCN(CC[C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 13728370 IFWQLDANAGMQRQ-GOSISDBHSA-N 343.492 4.126 0 1 EIAF COc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1 15257344 ZZAIPFIGEGQNHP-AWEZNQCLSA-N 338.403 4.304 0 1 EIAF endogenous,in-man C1=C(c2cccs2)CC[C@@H](CN2CCN(c3ccccn3)CC2)C1 18154399 QFAVGTOUBHVISF-KRWDZBQOSA-N 339.508 4.149 0 1 EIAF in-vivo COc1ccc2cc(CC/C(C)=C3/SC(=O)NC3=O)ccc2c1 26645068 WDPTUJFTFOUZBU-LFIBNONCSA-N 327.405 4.038 0 1 EIAF COc1ccc(-c2ccc(C(N)=O)c(C)c2)cc1OC1CCCC1 27851280 SNHNMJDGYJVIOI-UHFFFAOYSA-N 325.408 4.091 0 1 EIAF FCCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 29127877 ISUMRTRTOVSWNW-UHFFFAOYSA-N 348.849 4.011 0 1 EIAF Cc1c/c(=N\C(=O)Nc2ccc(Cl)cc2F)c2ccccc2[nH]1 45190182 AZAFBFJZQOVWBF-UHFFFAOYSA-N 329.762 4.402 0 1 EIAF O=C1NCCn2c1cc1cc(F)cc(-c3ccc(C(F)(F)F)cc3)c12 169353888 RBIYKEZFYDIGFC-UHFFFAOYSA-N 348.299 4.210 0 1 EIAF Cc1ccc2c(ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c32)n1 586907785 XCZBSQWJCUMSEU-YVLHZVERSA-N 327.343 4.088 0 1 EIAF CCCC(Br)(CCC)c1nc2ccc(C(=N)N)cc2[nH]1 586971743 XKJZGSAGDWYVEL-UHFFFAOYSA-N 337.265 4.037 0 1 EIAF Cc1nc(-c2c[nH]cc2-c2nc3c(C)cnc(Cl)c3[nH]2)cs1 587021531 NGMZIISFULYISL-UHFFFAOYSA-N 329.816 4.347 0 1 EIAF FC(F)(F)c1cc2nc(CNc3ccccc3Cl)[nH]c2cn1 587062816 WOVPZSPPBOKHCB-UHFFFAOYSA-N 326.709 4.242 0 1 EIAF Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1F 587079177 HGVNUYOBYBKPBV-AWEZNQCLSA-N 342.805 4.388 0 1 EIAF CSc1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092432 OQMOMFGFICSXOJ-UHFFFAOYSA-N 327.331 4.435 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(F)(F)F)c1O)O2 587380283 CNAXDGKIEYPZKU-CQSZACIVSA-N 337.297 4.008 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3cccnc3c1)CC2=O 587485122 PRVVVNJMMSYVJB-NRFANRHFSA-N 348.402 4.169 0 1 EIAF C[n+]1c(-c2ccccc2)cc2c(=Cc3ccccc3)c3ccccc3n21 261152280 PEODWEZQVBCRQA-UHFFFAOYSA-N 335.430 4.132 0 3 EIAF COc1cc(C[C@@H](C)N)c(OC)cc1CCCc1ccc(Cl)cc1 13809603 NBVUSYYQRXPQSV-CQSZACIVSA-N 347.886 4.422 0 1 EIAF CCOc1cc2c(cc1O)C(=O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26490933 MWMQARHZUCGXAL-FROISVFVSA-N 344.451 4.038 0 1 EIAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)cc3)[nH]n2)ccc1O 28128033 BSYXTLLMKFYJQV-ZESFLVPWSA-N 334.375 4.170 0 1 EIAF CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CCCC(C)(C)[C@H]1C2 40403750 TXBJAQRFHBPTNC-FOIQADDNSA-N 332.440 4.456 0 1 EIAF biogenic CCCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1 84603962 CIIGENHZFWVEQL-UHFFFAOYSA-N 338.436 4.047 0 1 EIAF O=c1cc(-c2ccc(C3=C4Cc5cc(O)ccc5[C@@H]4N=N3)cc2)cc[nH]1 89469102 UGRPUQYPEHQMJF-NRFANRHFSA-N 341.370 4.222 0 1 EIAF CCOC(=O)/C=C/c1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 95597141 SPYGVAJJIZFYHF-VOTSOKGWSA-N 326.348 4.041 0 1 EIAF Nc1[nH]nc2c3ccccc3nc-2c1-c1cccc(Br)c1 100880874 WUBDFBGWZFWKIY-UHFFFAOYSA-N 339.196 4.074 0 1 EIAF CCC(=O)C[C@@H]1c2ccccc2N=C(n2ccnc2)N1c1ccccc1 103176601 ODOXNMSBDNNFMF-HXUWFJFHSA-N 344.418 4.349 0 1 EIAF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H]21 146288969 VEZLMIBNVADFRK-DENGYOGHSA-N 332.440 4.263 0 1 EIAF CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(O)cc2)cc1 169307918 GSTABMLKLYKPLO-UHFFFAOYSA-N 331.415 4.255 0 1 EIAF CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@]2(C)CCCC=C12 253665498 OVURERDJMLXMHG-BCOIYHAWSA-N 330.468 4.450 0 1 EIAF CN(C)[C@H]1[C@@H](c2ccccc2)[C@H]2CC[C@H]1[C@H](OC(=O)c1ccccc1)C2 253689945 RNZUABSIOANGLF-BIRZXAFVSA-N 349.474 4.356 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@@]13COC(=O)[C@@H]1CCC[C@@H]32 523041442 AYCMMSGIYHDUSS-YGPNDZQQSA-N 330.424 4.117 0 1 EIAF biogenic Cc1c(F)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587007041 KXSGAIBAOKJUOE-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Fc1c(F)c(F)c(/C=C\c2nc3c(Cl)ccnc3[nH]2)c(F)c1F 587132534 RZMXUULXOAOYHJ-UPHRSURJSA-N 345.658 4.477 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1OC)CC2=O 587465499 DROGLZRETLSXLO-SFHVURJKSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1F)CC2=O 587471964 NKLXMQWDXHKGMT-CQSZACIVSA-N 335.762 4.239 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cccc1OC)CC2=O 587477072 HPKVJXNDJNPQIW-GOSISDBHSA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(C)cn1)CC2=O 587483383 CMSNKUGWHUMODS-FQEVSTJZSA-N 325.408 4.015 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@H](C)O3)CC2=O 587494115 XBHKUNJLTKQLOD-YUNKPMOVSA-N 338.403 4.375 0 1 EIAF Cc1cccc(OCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C 587563661 HAUXOQHFJXPQTR-UHFFFAOYSA-N 332.306 4.080 0 1 EIAF CC(C)C[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602364 JNKMAUUUQQLLPA-QKMWGZLOSA-N 326.392 4.405 0 1 EIAF COc1cccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)c1 587876371 NYVNYJWCFSIUNR-UHFFFAOYSA-N 341.367 4.049 0 1 EIAF Cc1noc(C)c1-c1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 621430788 DNXQTPQPHFNUKW-UHFFFAOYSA-N 339.420 4.430 0 1 EIAF COC(=O)c1ccc(-c2cnc(Nc3c(F)cccc3F)o2)cc1 1857588924 GZPPGMMHBWFCBB-UHFFFAOYSA-N 330.290 4.150 0 1 EIAF CC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1 387267 UXBMYXQWZYXXCV-UHFFFAOYSA-N 349.887 4.134 0 3 EIAF COc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC21CCCCC1 38142329 WIPYRKIOJQKYRN-CQSZACIVSA-N 327.346 4.020 0 3 EIAF COc1ccc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)cc1 61905666 LQDARAKXXUIIQG-UHFFFAOYSA-N 347.374 4.094 0 3 EIAF O=c1cc(CSc2ccccc2)nc(SC2CCCCC2)[nH]1 5974658 VGWRZMHJVMCLQU-UHFFFAOYSA-N 332.494 4.487 0 1 EIAF CCOc1ccc(N[C@H](C(=O)c2cccn2C)c2ccccc2)cc1 13645937 ZMKFRIYQUKILJQ-FQEVSTJZSA-N 334.419 4.460 0 1 EIAF CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)cc(O)c2O1 14658663 XOMNYGJNLZNDOL-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF biogenic,in-vitro O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(Br)o1 28572596 RUBILDWFLIMKCL-YMTOWFKASA-N 338.588 4.073 0 1 EIAF COC(C)(C)[C@@H](O)CC[C@@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29254858 AZTBGOWEAIBOCC-NKJRAPRGSA-N 326.477 4.033 0 1 EIAF O=S(=O)(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1 59399446 BURAPSBHMAARAX-UHFFFAOYSA-N 349.415 4.031 0 1 EIAF CNc1nc2cnc(Nc3ccccc3Cl)cc2n1CC1CC1 74388696 QFUJSEMMCRFNMJ-UHFFFAOYSA-N 327.819 4.280 0 1 EIAF COc1cc(Cl)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1O 84671765 AQWLSXUIDYALIY-UHFFFAOYSA-N 345.704 4.325 0 1 EIAF Cc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1 144334259 BYDLBOFYBRXPRU-UHFFFAOYSA-N 342.402 4.236 0 1 EIAF C[C@H]1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 169708925 LPALECKBLVYOGR-KPZWWZAWSA-N 333.353 4.311 0 1 EIAF CC[C@@H](C)C(=O)O[C@H]1CC2=C(C)CC[C@@H](C(C)C)[C@@H]2C=C1C(=O)OC 238772542 NWOSQAZFIFOMOK-UJNZZBMASA-N 348.483 4.446 0 1 EIAF O=C1N[C@@H](c2ccccc2)CC(O)=C1Sc1ccccc1Cl 299832728 KHNDKFGFIXWFLP-CYBMUJFWSA-N 331.824 4.463 0 1 EIAF Cc1cc(Br)c2[nH]c([C@H](C)Sc3ncccn3)nc2c1 586962705 VBNUSJVASRIWJR-VIFPVBQESA-N 349.257 4.277 0 1 EIAF Oc1c(Br)ccc2[nH]c(-c3cc4c(s3)CCC4)nc12 587034421 UPJGWNHTQQHXMG-UHFFFAOYSA-N 335.226 4.248 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587089095 YCUAYJIDVNZYCU-LURJTMIESA-N 333.716 4.244 0 1 EIAF CCCc1nc(-c2nc3cc(CC)ccc3[nH]2)nn1-c1ccccc1F 587155294 DHLCEXQBZYVEMC-UHFFFAOYSA-N 349.413 4.465 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587156241 REZMJEHQPQZRHL-CYBMUJFWSA-N 332.306 4.069 0 1 EIAF Cc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cc1F 587247561 OXAOTEBRUJQWQB-UHFFFAOYSA-N 326.375 4.057 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS[C@@H](c3cccs3)C1)O2 587413124 MJUAJWJDLUJGCU-NVXWUHKLSA-N 331.462 4.221 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420101 IDESESVJZTXFJY-KSSFIOAISA-N 348.320 4.377 0 1 EIAF CCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440297 FXWVXDAFELXVGA-UTKZUKDTSA-N 338.403 4.363 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CN(C)C)cs1)CC2=O 587493366 GKLJSOORFOQDRP-QGZVFWFLSA-N 345.464 4.174 0 1 EIAF COc1ccc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506389 RVCLKXLZGNYXGV-LJQANCHMSA-N 326.367 4.420 0 1 EIAF Cc1ccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 587516290 VKJIDCANQNIRMN-IBGZPJMESA-N 332.403 4.228 0 1 EIAF CCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587530349 CCULQRKCPKTIGE-QGZVFWFLSA-N 342.464 4.117 0 1 EIAF COC[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796739 UYJVYOGPMQYRIH-ZBEGNZNMSA-N 344.268 4.010 0 1 EIAF CSCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587845062 MOBJMICTXRQNBR-BXKDBHETSA-N 332.282 4.307 0 1 EIAF COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956408 ZSNSQZPNWASIEJ-QGZVFWFLSA-N 329.403 4.341 0 1 EIAF CC(C)Oc1ccc(-c2nnc(-c3ccnn3C)s2)cc1Cl 653709136 OVPIKVCLNHDMJV-UHFFFAOYSA-N 334.832 4.046 0 1 EIAF CCCn1ncc([C@H]2c3ccsc3CCN2Cc2ccco2)c1C 962711097 SXGJDDMGZZORJF-LJQANCHMSA-N 341.480 4.404 0 1 EIAF CC[C@@H]1C[C@H]([C@@H]2c3cccc(Br)c3CCN2C)CCO1 963290793 YOGLTIZMVCTCBC-PBFPGSCMSA-N 338.289 4.183 0 1 EIAF CC1=C[C@H](CNc2ccccn2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356577555 HOOVOIKKLPLEMQ-KZNAEPCWSA-N 340.471 4.282 0 1 EIAF CC(C)(C)CCNc1nc(-c2ccccn2)nnc1-c1ccccc1 95568817 VZQQBRATUAQGEU-UHFFFAOYSA-N 333.439 4.449 0 3 EIAF CCC(C(=O)Nc1ccc(C(C)=O)cc1)(C(F)(F)F)C(F)(F)F 3189083 QKMJFJWWWVZDEB-UHFFFAOYSA-N 341.251 4.349 0 1 EIAF biogenic C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 15220427 QSXNOUPYXMWUKT-UXFBDSIRSA-N 332.440 4.108 0 1 EIAF in-man CCOP(=O)(CCCOc1ccc(OC)cc1Cl)OCC 27751155 WDTUXIPXTSGROZ-UHFFFAOYSA-N 336.752 4.384 0 1 EIAF FC(F)(F)Oc1ccc(C2=NCCC[C@@H](c3ccccc3)N2)cc1 28948570 WVZIJRDHBAWNCW-INIZCTEOSA-N 334.341 4.457 0 1 EIAF O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1 63298356 MTYMWGNJKDHWGN-UHFFFAOYSA-N 335.194 4.191 0 1 EIAF OCC[C@@H]1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21 66259578 NQSQNZWINPLIAN-FQEVSTJZSA-N 329.484 4.012 0 1 EIAF C=CC1=C(C(=O)NCCC)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 73224474 DZQGHRZQSYPKGW-OAHLLOKOSA-N 326.223 4.074 0 1 EIAF OC1=C2C(=Nc3ccnn3[C@H]2c2cccc(OC(F)(F)F)c2)CCC1 100789986 OIXXGBFBCZAIKA-INIZCTEOSA-N 349.312 4.453 0 1 EIAF Cc1nc2cc3ccccc3cc2n1-c1ccc(C(=O)NC2CC2)s1 169701627 PVNHHMFKZMVEEV-UHFFFAOYSA-N 347.443 4.441 0 1 EIAF Cc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1C 586996494 GNBYMQFICIOWPW-OAHLLOKOSA-N 331.213 4.024 0 1 EIAF Fc1cc2[nH]c(CCc3ccccc3Cl)nc2cc1-n1cccn1 587057654 CNGJTKXYLPVDIO-UHFFFAOYSA-N 340.789 4.326 0 1 EIAF Cc1cncc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587134741 NYPBJZQWEDPTCM-NSCUHMNNSA-N 325.240 4.132 0 1 EIAF Fc1ccc2c(c1)C[C@@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)O2 587173244 AKCUOCOVDSIJIA-ZDUSSCGKSA-N 338.260 4.277 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1C1CCCCC1)O2 587395960 HJNMGJOBBGGDIV-QGZVFWFLSA-N 325.412 4.055 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS[C@H](c3cccs3)C1)O2 587413126 MJUAJWJDLUJGCU-RDJZCZTQSA-N 331.462 4.221 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@@H](C)CC)c1)CC2=O 587479533 ZSOVUFOTGVARJG-KPZWWZAWSA-N 328.412 4.219 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@H](C)CCC)CC2=O 587486650 SHFBOUKCABQCCG-XCLFUZPHSA-N 348.439 4.191 0 1 EIAF COC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529777 BTBZMJIIBWVNIY-INIZCTEOSA-N 342.416 4.120 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccccc2)N1 587815045 JUZIVFFRYPNXQK-QLJPJBMISA-N 348.215 4.046 0 1 EIAF C[C@H](O)CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834439 SBNHGKTZHXJYPE-GDLVEWKHSA-N 344.268 4.105 0 1 EIAF COc1ncccc1-c1cccc2c1/C(=C/c1[nH]c(C)cc1C)C(=O)N2 653685082 YJAQBNCABOUUCH-WJDWOHSUSA-N 345.402 4.195 0 1 EIAF O=C(O)C[C@H]1COc2cc(OCc3cccc(-n4cccc4)c3)ccc21 653724785 UBTDWIBVVUWSFE-INIZCTEOSA-N 349.386 4.007 0 1 EIAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCc3ccccc31)N(C)[C@H](C)C2 962617185 BTGXDYPWTYLCIF-KEQGGVEFSA-N 337.463 4.351 0 1 EIAF CCCCN(C(=O)CCC(C)C)[C@H](CC)C(=O)NC1CCCCC1 2356857608 SKTZFCRNZMJIPZ-GOSISDBHSA-N 338.536 4.279 0 1 EIAF C[C@H]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1 3873866 APUDBKTWDCXQJA-CNNODRBYSA-N 338.495 4.361 0 1 EIAF in-man CN1C[C@@H]2C[C@H]1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 5761742 WOMCGBFNBSIIEA-JRGCBEDISA-N 349.474 4.019 0 1 EIAF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCSc1ccccc1)C(=O)O 26026124 MTPHFQMAMCDFAH-CNYBTUBUSA-N 347.480 4.080 0 1 EIAF CC(C)CN1C(=O)CS[C@H]1c1cnccc1-c1ccc(F)cc1 28819580 NCFCQIGEUMBKGQ-SFHVURJKSA-N 330.428 4.118 0 1 EIAF c1ccc(COc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1 29123977 YZSGHLYJKQEKDH-UHFFFAOYSA-N 342.358 4.117 0 1 EIAF CCN(C(C)=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 49785438 VMJCLQJBRYQRGX-FOIQADDNSA-N 336.435 4.035 0 1 EIAF O=C(O)[C@@H]1CCCN(CC[C@H]2CC2(c2ccccc2)c2ccccc2)C1 58574783 IWMITAPIVPWQBA-NQIIRXRSSA-N 349.474 4.179 0 1 EIAF O=c1ccoc2cc(OCCc3ccc(Br)cc3)ccc12 89469851 HGTVLAVMTIUKAO-UHFFFAOYSA-N 345.192 4.177 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 95587827 YDAVVXOXSSFVPF-QZVDPCOZSA-N 348.483 4.273 0 1 EIAF CC(C)c1cccc(-c2cccc(C(F)(F)P(=O)(O)O)c2)c1O 96285014 AOKMLDKBEMXSPN-UHFFFAOYSA-N 342.278 4.410 0 1 EIAF Cc1cc([C@H]2CC[C@H](NC(=O)CCc3ccccc3)CC2)ccc1O 101096731 DUEYCZGJJXPXIC-PUZFROQSSA-N 337.463 4.476 0 1 EIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(Cl)c[nH]c-2n1 587066022 DYEDLPOHWSFJSW-UHFFFAOYSA-N 344.205 4.377 0 1 EIAF FC(F)(F)c1cnc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084122 GSXBGXAZUIZBPH-UHFFFAOYSA-N 338.720 4.105 0 1 EIAF C[C@@H](F)[C@@H](N)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587122799 GUNFIRDSRMMNAM-RFAUZJTJSA-N 326.400 4.197 0 1 EIAF COc1c(F)ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1N 587132865 JKGQZNBNWYOBHR-UHFFFAOYSA-N 326.158 4.267 0 1 EIAF Fc1cc2[nH]c(CCc3ccccc3F)nc2cc1Br 587150445 QAGICSMCEKREDM-UHFFFAOYSA-N 337.167 4.389 0 1 EIAF Cc1ccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1F 587368691 VMASKPICKSJFOV-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)n(C)c3ccccc13)O2 587389104 FDTGKLBBLNZQEG-OAQYLSRUSA-N 334.419 4.258 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)(C1CC1)O2 587395713 GOHUSBXXOVQMIV-NRFANRHFSA-N 332.403 4.329 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3[nH]c4ccc(C)cc4c3C1)O2 587395996 HZLWZNUIMSUYDL-QFIPXVFZSA-N 346.430 4.260 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)(C(C)C)[C@@H](C2)C3=O 587427832 WDDPNFHCBDHAFT-VBKZILBWSA-N 344.357 4.272 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccccn1)CC2=O 587492095 WSDHODYNYAQXMU-IIBYNOLFSA-N 337.419 4.411 0 1 EIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1N(C)C 587510949 HWNMTINZEQFETQ-LJQANCHMSA-N 336.435 4.041 0 1 EIAF COc1ccc(/C=C\Cc2nc3cc(C)cc(F)c3[nH]2)c(OC)c1 587928396 BDLSEMQWDQAFPH-PLNGDYQASA-N 326.371 4.284 0 1 EIAF COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1OC 587951731 ZBMAYVCXDMXGRA-UHFFFAOYSA-N 342.439 4.066 0 1 EIAF Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2F)s1 653834531 IVPJLRNYJMIFGQ-UHFFFAOYSA-N 339.399 4.127 0 1 EIAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)cc1)C1CCCC1 963135054 WCLLRAAYUYMNEY-NRFANRHFSA-N 339.410 4.103 0 1 EIAF Cc1cc(Cl)cc2c(O)nc(-c3c[nH]nc3-c3ccccc3)nc12 1857748537 BTJZCCGRTWPTKC-UHFFFAOYSA-N 336.782 4.354 0 1 EIAF CC(C)CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc2c1=O 1857771304 GDDZUFJIUGNATO-UHFFFAOYSA-N 335.451 4.176 0 1 EIAF CC[C@@]12C(=Nc3c(Cl)cccc31)C[C@@H]1CCN3C(=O)CCC[C@H]2[C@H]13 38143074 FBRUTAYFHGJOEY-HIEMWTLHSA-N 342.870 4.495 0 3 EIAF N[C@@H](Cc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 61925669 LTYPGCNIZXWPRQ-INIZCTEOSA-N 347.447 4.072 0 3 EIAF CCCC/C=C1/[C@H](CC)N(C)C2=N[C@@H](c3ccccc3)CC(=O)N21 205717601 ICDGVYBUWJXZPF-NEMDDSBSSA-N 325.456 4.114 0 3 EIAF CC[C@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 254048186 XFKKWOBQJWQESO-YCUSJDIJSA-N 346.511 4.308 0 3 EIAF C[C@H](c1c[nH]cn1)c1scc(Br)c1Br 22767 YCEJIRSLWBFIQA-RXMQYKEDSA-N 336.052 4.148 0 1 EIAF c1ccc(C2=NN(c3nc4ccccc4s3)C3(CCCCC3)N2)nc1 6018086 SGBMKKOYUXVLMJ-UHFFFAOYSA-N 349.463 4.123 0 1 EIAF CC[C@H]1CCCCN1c1ccc2nc(O)c(Cc3ccccc3)nc2n1 6138654 CKDNWFKTSVSKEL-INIZCTEOSA-N 348.450 4.090 0 1 EIAF Cn1c2c(c3ccccc31)CN(CCCC(=O)c1ccccc1)CC2 13476810 PVSIEIHLLNZYRZ-UHFFFAOYSA-N 332.447 4.200 0 1 EIAF CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C 13534258 FDCNBYNWZUDLOG-UHFFFAOYSA-N 325.408 4.311 0 1 EIAF O=C(CCCN1CCC(Nc2ccccc2)CC1)c1ccc(F)cc1 13832614 VIDNPNWVAFWCNO-UHFFFAOYSA-N 340.442 4.365 0 1 EIAF CCCCC[C@@H](O)CCCCC[C@H](O)Cc1cc(O)cc(OC)c1 14772295 JTFPNHYBWFZKEX-MSOLQXFVSA-N 338.488 4.196 0 1 EIAF biogenic COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 28220773 BCJABVRQTWUBDN-UHFFFAOYSA-N 329.400 4.051 0 1 EIAF COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccccc1Cl 28222342 ZYAGTYJEVFJBND-UHFFFAOYSA-N 349.818 4.396 0 1 EIAF CN(C)Cc1cc(OCCCF)ccc1Sc1ccccc1N 28870431 QEMMIBZQGYYMNU-UHFFFAOYSA-N 334.460 4.220 0 1 EIAF COc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccccc12 96910972 BJGUNGDUBFAZJF-UHFFFAOYSA-N 325.799 4.376 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@H](/C=C/c1ccccc1)C2 102853550 ODBOCRLDKFDGTG-IYKWXIMQSA-N 336.431 4.046 0 1 EIAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C=C(C)[C@H]2C)ccc1O 196103214 XPWUEOIRZVEGJK-MPBGBICISA-N 326.392 4.300 0 1 EIAF C/C(=C/C(=O)O[C@H](C)c1ccccc1)O[P@]1(=O)O[C@@H](C)[C@@H](C)O1 299807058 PAQDNXSEENNJQV-OFFNWKFKSA-N 340.312 4.143 0 1 EIAF CCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3cnccn23)cc1 473170925 SULJTGGXGDRELM-UHFFFAOYSA-N 343.386 4.240 0 1 EIAF Brc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586885051 TZEVPEXFUNGMDY-YPIXOSSWSA-N 332.245 4.188 0 1 EIAF O[C@@H]1C[C@H](c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc21 586905112 YREOWPWEFLJWMA-GXFFZTMASA-N 347.187 4.034 0 1 EIAF Clc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039196 CTDVNILXQRGRNN-JKSUJKDBSA-N 329.856 4.163 0 1 EIAF O=C(c1ccccc1)c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1 587140464 KZDLQMCMNFXIIC-UHFFFAOYSA-N 346.361 4.092 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587196313 SNHAHGXUYPHEBA-CYBMUJFWSA-N 349.413 4.106 0 1 EIAF CC(C)(CC(=O)O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206542 LKJFQQYBPMZBBI-UHFFFAOYSA-N 345.398 4.490 0 1 EIAF Cc1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1N 587250618 NMSJTIYQGXRWEV-UHFFFAOYSA-N 330.229 4.001 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1Br)O2 587378623 WIUWJJBXEISHLH-KRWDZBQOSA-N 346.224 4.220 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Cl)ccc3C1)O2 587379542 JFSBLSUQPSLZCY-LJQANCHMSA-N 327.811 4.124 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccnc(C)c13)CC2=O 587488431 ZMLDKRATUXFCBQ-SFHVURJKSA-N 336.391 4.236 0 1 EIAF CCC[C@H]1CC[C@H]([C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587562214 RXFNNHNKMHAZBU-MGPQQGTHSA-N 341.455 4.147 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccncc2)N1 587775988 AUACQPWVUUPSSC-XHDPSFHLSA-N 349.247 4.191 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587785747 OLLFVQFMCCHDHC-NWDGAFQWSA-N 344.773 4.299 0 1 EIAF O=C(COc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1 653804903 JPPZKDIOQIDIOW-UHFFFAOYSA-N 330.339 4.208 0 1 EIAF COc1ccccc1OC[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963113500 UPKADLBPJHXLKL-DYESRHJHSA-N 341.426 4.149 0 1 EIAF CC(C)c1nn(-c2ccc(F)cc2)c2ncc(C(=O)O)c(Cl)c12 1857547678 HRBMYFVBFXNERT-UHFFFAOYSA-N 333.750 4.035 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@H](C)[C@@]12C 2356444556 ZGSGPGJJWNVAIA-MNDHBXFJSA-N 334.456 4.332 0 1 EIAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2ccccc2C)cs1 61908842 GCRVUTMMZUBYHL-SFHVURJKSA-N 340.423 4.483 0 3 EIAF Cc1ccccc1NC(=O)Nc1nc([C@@H](N)c2ccccc2)cs1 61926087 YMMFQEMRZYRZAO-INIZCTEOSA-N 338.436 4.144 0 3 EIAF CCOc1cc(-c2ccccc2)nc2nc(Br)ccc12 13579557 KLQJOMKIBCTFIK-UHFFFAOYSA-N 329.197 4.458 0 1 EIAF CC(C)CNC(=O)/C=C/C=C/CCC/C=C/c1ccc2c(c1)OCO2 14685596 QVKVGYVXAAXMSX-HJHGIKLDSA-N 341.451 4.483 0 1 EIAF endogenous,in-man CCC(=O)N(c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)CC1 27999623 CMGQCTURNHRUBC-OAQYLSRUSA-N 336.479 4.484 0 1 EIAF CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(N)cccc2c1 34891982 JIKREMGSQBKRBM-UHFFFAOYSA-N 347.374 4.484 0 1 EIAF Cc1ccc(-c2ccc3ncc(-c4ccc([S@@](C)=O)cc4)n3c2)o1 45300046 UZRYFKGRTKHBGX-DEOSSOPVSA-N 336.416 4.307 0 1 EIAF O[C@@H](c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 49110852 UTBOGJNBLDGVIZ-FQEVSTJZSA-N 336.341 4.385 0 1 EIAF C[C@@H](Nc1nc(NCc2ccccc2)c2nc[nH]c2n1)c1ccccc1 87722024 NXXJDMWQIZZUGA-CQSZACIVSA-N 344.422 4.138 0 1 EIAF O=C1NC(=O)/C(=C\c2cccc(OC3CCCCC3)c2Cl)S1 115793488 NEBNCADCRHAFSD-UKTHLTGXSA-N 337.828 4.375 0 1 EIAF O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 164970572 DXYAEUVBTCWFFI-KOMQPUFPSA-N 346.377 4.477 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 586889953 OGCGRWZMPYIUKV-BZNIZROVSA-N 345.240 4.471 0 1 EIAF O=C(O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896916 LYADWBRLKYNKNI-UHFFFAOYSA-N 330.343 4.301 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896929 USTGVUHKOPVFGD-LJQANCHMSA-N 344.374 4.326 0 1 EIAF O[C@@H]1C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 586903964 RKASKHRWCXQOCU-DGCLKSJQSA-N 334.297 4.031 0 1 EIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587049930 JPLSVEHRXSMFQE-UHFFFAOYSA-N 339.704 4.259 0 1 EIAF Fc1cnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587075755 KAGGUYMKBHJLNE-OAHLLOKOSA-N 330.794 4.088 0 1 EIAF COc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Cl 587175072 PNADOIYRISWFBY-UHFFFAOYSA-N 329.762 4.436 0 1 EIAF Fc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc(N2CCCC2)n1 587177605 PXSZIZGIXNRJHT-UHFFFAOYSA-N 336.414 4.243 0 1 EIAF Cc1c(F)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204197 JDHNQJDNQBHUGQ-AWEZNQCLSA-N 349.450 4.492 0 1 EIAF COc1cc(C)c(N)c(-c2nc3ccc(Br)c(C)c3[nH]2)c1 587250495 PTXCRJMDJPHTFJ-UHFFFAOYSA-N 346.228 4.200 0 1 EIAF Nc1ccc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)cc1 587251230 CVCRLSXLRMSYJM-FPYGCLRLSA-N 332.176 4.217 0 1 EIAF C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357640 UWOKYLUDCLKSKU-UYAOXDASSA-N 338.334 4.399 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(OC)c1)CC2=O 587475563 ARMDYOZEJUVJEG-LJQANCHMSA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C[C@@H](C)O3)CC2=O 587494112 XBHKUNJLTKQLOD-MPBGBICISA-N 338.403 4.375 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3cncc(OC)c3[nH]2)cc1 587565322 ASHZAOZTMUCPGG-UHFFFAOYSA-N 325.412 4.233 0 1 EIAF Cc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873723 LBDMTFMUQMGNGC-GFCCVEGCSA-N 338.338 4.211 0 1 EIAF Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(O)cc3)N2)cc1 653711489 KYAVLIQUXNGIEH-KDURUIRLSA-N 325.452 4.174 0 1 EIAF CC(C)([C@H]1NC2(CC2)Cc2ccc(Br)cc21)N1CCCC1 961617839 WVFGPGNPVXXPLC-INIZCTEOSA-N 349.316 4.043 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(C)ccc2ncccc12 963259756 UKXQHKYHPSAVBQ-FQEVSTJZSA-N 338.838 4.440 0 1 EIAF C=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1 1857644270 LSHVGZUGKOCADJ-UHFFFAOYSA-N 325.314 4.500 0 1 EIAF CCCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O 1857655038 FABQVDQZHZCIOK-UHFFFAOYSA-N 336.907 4.201 0 1 EIAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@@H]5[C@H](C[C@H]3[C@@]2(C)CC[C@H]1O)[C@]5(C)C4 2356408271 ZPBBRJYUYLDTJN-LGHDIGCESA-N 346.511 4.179 0 1 EIAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(F)cc2)O1 72140775 JSDNDBCFARLCMV-RHSMWYFYSA-N 334.387 4.410 0 3 EIAF Cc1ccc(-c2nc3ncccn3c2NC(=O)c2cccc(C)c2)cc1 107291258 ZVZCEAHTWCGPCE-UHFFFAOYSA-N 342.402 4.265 0 3 EIAF C[C@]1([C@]2(C)COC(c3ccccc3)(c3ccccc3)O2)CCCCN1 5736224 LXSFMSNAFNZVIS-RTWAWAEBSA-N 337.463 4.225 0 1 EIAF in-vitro COCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947033 SQXJYNCVTMWQFT-SQBLYHGDSA-N 328.452 4.024 0 1 EIAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 22937769 JBFVCXODUHNOEN-AZUAARDMSA-N 344.861 4.303 0 1 EIAF CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1nc2ccccc2s1 28009795 SAANJTZEPOWUMZ-HNNXBMFYSA-N 344.411 4.022 0 1 EIAF O=C(Cc1cccc2ccccc12)Nc1ccsc1-n1ccnc1 64559565 YAMORCRLQFAZCJ-UHFFFAOYSA-N 333.416 4.268 0 1 EIAF CC(C)n1nc(-c2cccc(Cc3ccccc3)c2)c2c(N)ncnc21 71294771 PFDOYRBDNTWQJP-UHFFFAOYSA-N 343.434 4.247 0 1 EIAF COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)c(OC)c1 72176777 VVKMMCLKAHDJRY-UHFFFAOYSA-N 333.391 4.345 0 1 EIAF CN(C(=O)c1ccc(-c2cccc(O)c2)s1)c1cccc(O)c1 95585469 YTWHEQMPLAPRBY-UHFFFAOYSA-N 325.389 4.103 0 1 EIAF CC(=O)Nc1ccc2c(c1)[C@]1(C)CCN(Cc3ccccc3)[C@@H](C2)[C@H]1C 100719774 FTFOZMMDMFOELO-UZFJHSOTSA-N 348.490 4.369 0 1 EIAF Cc1nnc2n1-c1c(F)cc(-c3cncc4ccccc34)cc1CC2 143841450 OFCAEDAYXXBTOQ-UHFFFAOYSA-N 330.366 4.029 0 1 EIAF Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCC3)c2F)cn1 224559612 HVTOVBGCYBWFCZ-UHFFFAOYSA-N 327.403 4.311 0 1 EIAF Cc1ccc2c(ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc32)n1 586906869 ASRGEQRUXOVREA-UHFFFAOYSA-N 329.359 4.058 0 1 EIAF Cc1ccc(CSCCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 586970164 AUQPCWSJYBKDSM-GOSISDBHSA-N 340.452 4.071 0 1 EIAF c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)n1 587023025 CGFNCOZCXQYMOY-UHFFFAOYSA-N 335.388 4.125 0 1 EIAF Nc1ccc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587252339 YHNIRPJZIONHMM-XCVCLJGOSA-N 341.418 4.147 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(C4CC4)c1F)[C@@H](C2)C3=O 587425987 JKMHKQDIMOBATR-HRAATJIYSA-N 338.378 4.375 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC4(CCC4)Oc4ccccc41)[C@@H](C2)C3=O 587454820 YSLRUOUPTSSHJE-KSFYIVLOSA-N 348.398 4.043 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 587477563 DBLWOEYVXFJPPA-HBGVWJBISA-N 342.435 4.074 0 1 EIAF NC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502702 SNJKFIZBUKZLFL-HXUWFJFHSA-N 341.838 4.038 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CCCC1)C2 587604974 WLCSTOWLWBUKNZ-KRWDZBQOSA-N 336.387 4.447 0 1 EIAF CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2c(C)cc(Cl)cc12 587626763 HXYJFEGLPDTBAA-UHFFFAOYSA-N 331.803 4.190 0 1 EIAF CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 587629484 RUZUCJRLAOPJIM-UHFFFAOYSA-N 341.766 4.170 0 1 EIAF COc1ccccc1CNC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631554 OKZIAQMNTGIMAX-UHFFFAOYSA-N 346.789 4.207 0 1 EIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(C)cc(F)c2[nH]1 587785951 FFVVPLZNVVHYMO-UHFFFAOYSA-N 326.371 4.143 0 1 EIAF O=C(NCCc1nc(-c2cccc(Cl)c2)cs1)c1ccccc1 653844314 PZPYIIUEWAGAJL-UHFFFAOYSA-N 342.851 4.436 0 1 EIAF Cc1c(F)ccc2c1[C@@](C)(c1c(Cl)ccnc1Cl)NCC2 962093192 OUUKPZIRBBJNBR-INIZCTEOSA-N 325.214 4.245 0 1 EIAF Cc1sc2c(c1C)CCN[C@H]2c1nc2ccccc2nc1Cl 963016943 CZYHWQRKXIISRB-AWEZNQCLSA-N 329.856 4.197 0 1 EIAF CC(C)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)C1CCCCC1 1857565837 UCTAUHCKGLOZHU-UHFFFAOYSA-N 347.466 4.280 0 1 EIAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]34C[C@@H]5[C@H](C[C@@H]3[C@@]2(C)CC[C@H]1O)[C@]5(C)C4 2356408273 ZPBBRJYUYLDTJN-TWKVRQJASA-N 346.511 4.179 0 1 EIAF COC(=O)C1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCc1ccoc1 2356722700 NVMUULOVKGJDTI-UGNRZPKXSA-N 346.467 4.135 0 1 EIAF CCOC(=O)c1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1 3832234 NYQMIRPEALZGTO-UHFFFAOYSA-N 337.375 4.096 0 1 EIAF O=C1Nc2ccc(Cl)cc2S[C@H](c2ccc(Cl)cc2)[C@H]1O 4178698 ISHUJCRNBARNHX-ZIAGYGMSSA-N 340.231 4.140 0 1 EIAF CCP(=O)(CC)C(Cl)(Cl)[C@H](O)C(Cl)(Cl)Cl 6001340 HIYAPNNBFMVKKG-RXMQYKEDSA-N 336.410 4.252 0 1 EIAF Cn1nc(C(=O)CCCCCCc2ccccc2)nc1-c1ccccn1 40874945 GQYZVPYRLPEHBS-UHFFFAOYSA-N 348.450 4.253 0 1 EIAF C1=C(c2c[nH]c3ccccc23)CCN(C[C@H]2CNc3ccccc3O2)C1 53268002 VSXPSCOXEGOPID-QGZVFWFLSA-N 345.446 4.130 0 1 EIAF O=c1[nH]c2cc(Cl)ccc2c2[nH]c(-c3ccccc3Cl)nc12 96270730 NMAXYWKTMNUWHI-UHFFFAOYSA-N 330.174 4.378 0 1 EIAF COc1ccc2c(c1)C[C@H]1c3cc(OC)c(Cl)cc3CCN1C2 96930018 MTAWQOIMTSBLBR-SFHVURJKSA-N 329.827 4.013 0 1 EIAF CCC[C@@H]1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O 139380797 FMLDFEYRHVKRTO-OAHLLOKOSA-N 333.391 4.135 0 1 EIAF CC(=O)O[C@H]1[C@@H]2[C@H]3[C@H](C(C)C)C[C@H](O)[C@]3(C)CC[C@@]2(C)C[C@H]2C[C@]21C 238761919 PLRAZEQRSYIUSJ-GFAORHGDSA-N 348.527 4.424 0 1 EIAF Cc1c(Br)ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586884794 IYMCYQZDKJFCFG-GRYCIOLGSA-N 345.240 4.273 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)oc12 586903793 NMDQYLHVDNSINH-UHFFFAOYSA-N 349.390 4.490 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 586915076 ACTUTARRTYFWPX-CWTRNNRKSA-N 342.345 4.058 0 1 EIAF Clc1ccc(CC2(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)cc1 587073981 OPSLRWHCRFXEAJ-UHFFFAOYSA-N 340.810 4.262 0 1 EIAF Cc1ccc(C)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 587232778 AVUVNYSDCCFPHG-UONOGXRCSA-N 329.444 4.341 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc4c(cc31)CCC4)O2 587407271 BQJBNUKLTKMNQW-QFIPXVFZSA-N 349.430 4.099 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC2(C)C)N1 587816362 XCFDHWQCWPCTJL-RCAYSMOQSA-N 326.253 4.384 0 1 EIAF C[C@@H](O)CCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587826340 AIFBHLYGWOLUEO-GYSYKLTISA-N 344.268 4.105 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587938185 UIAUUVYQTATWFH-XCLFUZPHSA-N 336.435 4.287 0 1 EIAF CN(C)c1ccc(CCC[C@]2(C)C(=O)Nc3ccc(F)cc32)cc1 1772630203 KNFQJKAPFOTEBI-FQEVSTJZSA-N 326.415 4.124 0 1 EIAF CCN(C)C(=O)Oc1cc([C@@H](C)N2CCCCC2)cc2cccnc12 1857545165 LCMGNBRCZWBPSX-OAHLLOKOSA-N 341.455 4.232 0 1 EIAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCC(C)C)c(CN)c3)ccc12 1857569254 KKYUTGBWWGRFGM-UHFFFAOYSA-N 335.451 4.116 0 1 EIAF Cc1cnc(NC(=O)CCCOc2cccc(C(F)(F)F)c2)s1 1857601818 DRKISSJPJOLXJO-UHFFFAOYSA-N 344.358 4.268 0 1 EIAF CO[C@@]1(C)C[C@@H](c2ccc(C)cc2)c2c(c3ccccc3oc2=O)O1 1857750128 RPOKSBKRVVZBBP-HRAATJIYSA-N 336.387 4.378 0 1 EIAF O=C(O)c1cccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)c1 61896864 YVYOXVLEYFNPBR-HNNXBMFYSA-N 345.807 4.243 0 3 EIAF FC(F)(F)c1ccccc1-c1cccc2c1N1CCNCC[C@H]1C2 13535462 TVGKTMDQLDJGTD-AWEZNQCLSA-N 332.369 4.097 0 1 EIAF CC(C)(C)c1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1 26179046 YHZPDRWTCAUTJX-UHFFFAOYSA-N 345.450 4.095 0 1 EIAF COc1cccc2c1N[C@H]1[C@H](Cc3cccc4ccccc34)NCC[C@@H]21 26662126 MDJXRHFEZCHQBQ-JAXLGGSGSA-N 344.458 4.331 0 1 EIAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 28764437 VSHAXDNWFQCNEL-WOJBJXKFSA-N 347.547 4.148 0 1 EIAF O=C(O)C1=Cc2cc(Cl)c(Cl)c(Cl)c2O[C@@H]1C(F)(F)F 38695417 RHPWOEFSQBYIMW-VIFPVBQESA-N 347.503 4.438 0 1 EIAF COc1ccc(Nc2nccc3c2ncn3Cc2ccccc2)cc1 74386380 XUSNBIBRRMCFAB-UHFFFAOYSA-N 330.391 4.232 0 1 EIAF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc(C)c1 82147024 NCRBHNCRELXUJO-HUUCEWRRSA-N 340.471 4.191 0 1 EIAF CCCC[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 103183716 YDWXBLOQLSPXQY-LNLFQRSKSA-N 347.890 4.122 0 1 EIAF C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@@H]2C[C@H]1C2(C)C 169323887 BVLMUEUIQIASQJ-XHSYRHOGSA-N 326.362 4.296 0 1 EIAF COc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)nc1 169350828 GQXNBIOITWWYJB-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF CC(C)Sc1nc([C@@H](C)c2c(F)cccc2Cl)cc(=O)[nH]1 169352179 BTMBVLODKKYUOL-SECBINFHSA-N 326.824 4.215 0 1 EIAF C1=C\COCc2ccc(o2)-c2ccnc(n2)Nc2cccc(c2)COC/1 169727807 RADMAAOUVWABJD-UPHRSURJSA-N 349.390 4.083 0 1 EIAF CC/C(C)=C(\N)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988058 XGNNIADOJOLWED-ATVHPVEESA-N 344.414 4.337 0 1 EIAF c1cc2c(s1)CCS[C@H]2c1nc2cc3c(cc2[nH]1)OCCCO3 587037440 VQPQDUCTADKWTJ-MRXNPFEDSA-N 344.461 4.164 0 1 EIAF Cc1cc(Cl)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042315 RWCHRTCCNTUUPV-HOTGVXAUSA-N 343.883 4.471 0 1 EIAF O=C(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1 587162716 KYTNBIRHZQJBIE-UHFFFAOYSA-N 338.716 4.449 0 1 EIAF Fc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(N2CCCC2)n1 587177500 KAMPBLNLHIQDHQ-UHFFFAOYSA-N 334.757 4.157 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3cc(Cl)cc(C)c3[nH]2)c1C 587238509 BABZSWWNOMHNIZ-UHFFFAOYSA-N 327.815 4.323 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(C[C@H]1CCCCC1=O)CC2=O 587481556 MRUAYBIDXFGFAI-ZUOKHONESA-N 330.424 4.218 0 1 EIAF CC1(C)Cc2nc[nH]c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526305 QPINCSSEIMYBHE-OAQYLSRUSA-N 336.435 4.122 0 1 EIAF CCO/C=C(\C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794264 GMNIDYPEOPFWRZ-LVZDVLHWSA-N 328.225 4.104 0 1 EIAF CC(C)SC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587839504 HJWLREGDKDJHJH-JOYOIKCWSA-N 332.282 4.305 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)ccc1F 587871200 QAGXYTZDCCHPBP-UHFFFAOYSA-N 346.308 4.055 0 1 EIAF Clc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1 653665760 JUCBFEZCYIFLDX-UHFFFAOYSA-N 349.777 4.445 0 1 EIAF NCCCCCOc1ccccc1OCCc1c[nH]c2ccccc12 653733712 QKEAOPINPYGSNX-UHFFFAOYSA-N 338.451 4.297 0 1 EIAF COc1ccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c(C)c1 963096701 GDFVQLOASULBEF-IERDGZPVSA-N 325.427 4.427 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccnc(Br)c1 963118886 ZXEVDASPEGNBKS-WMLDXEAASA-N 347.231 4.093 0 1 EIAF CC[C@H](C)[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177464 JXYASPARRZHBCB-LCWDIZFYSA-N 335.753 4.045 0 1 EIAF Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3ccccc3)c2n1 1772587254 DVAFLKRFDNTSNF-UHFFFAOYSA-N 348.837 4.306 0 1 EIAF CCOC(=O)c1cc(-c2cc3cc(Br)ccc3o2)on1 1857549551 DVUJTWHYCSPKBQ-UHFFFAOYSA-N 336.141 4.027 0 1 EIAF C[C@@H]1OC(=O)C2=C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@H](C)N3C)[C@H]21 2356647117 BQYBRRZKGRWUCZ-VLUNMRKSSA-N 343.511 4.340 0 1 EIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccc2)C1 8624197 XAOZGQSKBAMKAZ-WOJBJXKFSA-N 344.462 4.086 0 1 EIAF biogenic CC(C)Oc1ccc(C(=O)Nc2nnc(C3CCCCC3)o2)cc1 10881559 QMIDHPHBEQMGSA-UHFFFAOYSA-N 329.400 4.157 0 1 EIAF Cc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(F)c2)c1 13490875 JYFRODDXKUSBOM-INIZCTEOSA-N 327.321 4.064 0 1 EIAF COC(=O)[C@@H]1CC[C@H]([C@@]2(C)CCCC(C)(C)C2)C2=C1C(=O)O[C@@H]2C 15263140 OEEVXORZCXFKCA-VGWCWKRBSA-N 334.456 4.034 0 1 EIAF biogenic CCc1nn(CCO)c(CC)c1Oc1cc(Cl)ccc1Cl 34005540 NWCGPEVEQLFEQE-UHFFFAOYSA-N 329.227 4.099 0 1 EIAF O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1ccccc1Cl 40423163 AFEIVIYLCPBBNV-INIZCTEOSA-N 336.774 4.454 0 1 EIAF CC(=O)Oc1cccc([C@@]23CC[C@@H](C2)N(CCc2ccccc2)CC3)c1 60163814 CTLZCPLUPNIRMY-JTHBVZDNSA-N 349.474 4.351 0 1 EIAF CSc1ccc(OCc2nc(Cl)c(Br)n2C)cc1 66073752 YFOQLJQVJKPLKO-UHFFFAOYSA-N 347.665 4.137 0 1 EIAF CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(=O)O 66098530 OWRRPIXHXLFWGU-UHFFFAOYSA-N 340.467 4.365 0 1 EIAF Cc1ccc(-c2ccn(Cc3coc(-c4ccc(O)cc4)n3)n2)cc1 72185170 FKSHSMCRUUCXBQ-UHFFFAOYSA-N 331.375 4.267 0 1 EIAF Cc1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1 95574409 HEMGMIJDFOQHRV-UHFFFAOYSA-N 345.450 4.058 0 1 EIAF COc1ccc2[nH]cc(C(=O)CN3CCC(c4ccccc4)CC3)c2c1 103237109 VPVQIWNLYOXDFQ-UHFFFAOYSA-N 348.446 4.239 0 1 EIAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3)c2)n1 103248628 MCVLXGLMZZIWGB-UHFFFAOYSA-N 341.798 4.461 0 1 EIAF CCc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335964 GXRPIGJWZJONKF-HXUWFJFHSA-N 334.467 4.202 0 1 EIAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@H](C)CF)sc1C(=O)O 145116863 VLBPIULFSBHWDL-SECBINFHSA-N 343.383 4.174 0 1 EIAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O 169720234 LMJBWKNSUUFNQH-NSPYISDASA-N 346.398 4.412 0 1 EIAF COc1cccc(-c2cc(N[C@@H](C)c3cccc(O)c3)nc(C)n2)c1 205840777 BKZZCSWWWLVMJX-ZDUSSCGKSA-N 335.407 4.339 0 1 EIAF COc1cc(O)ccc1/C=C/C(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 238746363 CPJMZTUMYSQEGK-IOYKRAMTSA-N 330.424 4.172 0 1 EIAF CCOC(=O)c1c(O)nc(C)c(CC)c1O[C@@H]1CCC[C@@H](C)[C@H]1C 253761508 WSTNUSIDCUJELH-LALPHHSUSA-N 335.444 4.038 0 1 EIAF Cc1cc(Br)c(-c2nc3c(Cl)ccnc3[nH]2)cc1F 587137771 KNUZJJJOVOVNPH-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Cc1c(Br)cc2nc(-c3ccc(F)c(N)c3)[nH]c2c1C 587139837 ZXBLMNYBWVZXBI-UHFFFAOYSA-N 334.192 4.331 0 1 EIAF Nc1cc(Br)cc(-c2cc3c4c(cccc4n2)CC3)c1O 587208593 VJSNDOPYGJZKSL-UHFFFAOYSA-N 341.208 4.051 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(C(C)C)[C@@H](C2)C3=O 587427013 FXHNRPQDXJXXJT-LAUBAEHRSA-N 340.394 4.219 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c5c(cccc15)CC4)[C@@H](C2)C3=O 587446853 GXBDQSYSBWOZOR-MBSDFSHPSA-N 342.394 4.436 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(O)c(F)c1)CC2=O 587465296 GYVVVHPDNFFZPR-INIZCTEOSA-N 334.318 4.035 0 1 EIAF O=C1C[C@](c2ccccc2)(c2ncco2)Oc2c1ccc1c2CCCC1 587516092 URTMNZHREARBAU-QFIPXVFZSA-N 345.398 4.462 0 1 EIAF Cc1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1 587565481 JJRBMEGEFHTLLG-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587619786 ZFEDDHAWGVYHFP-XLIONFOSSA-N 336.343 4.171 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 587784768 JADJJMOKDRVQIA-LSDHHAIUSA-N 338.432 4.228 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c[nH]c2ccccc12 587872428 LULCAESAYOKGGO-UHFFFAOYSA-N 349.365 4.258 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 587936095 RUIGVXMCBGEIQF-UHFFFAOYSA-N 336.782 4.301 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3c(F)cnc(Cl)c3[nH]1)CC2 587946931 NOJHRGSPNKTGSA-JTQLQIEISA-N 331.778 4.032 0 1 EIAF COc1cccc(-c2nc([C@@H]3NCCc4cc(C)c(F)cc43)co2)c1 962089089 FYXVFWSLBIAOJL-LJQANCHMSA-N 338.382 4.033 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCCCC[C@H](C(=O)O)C1)N(C(C)C)CC2 962089494 KASKVWXCHWWSAP-UWJYYQICSA-N 345.483 4.212 0 1 EIAF CCCC[C@]1(CC(=O)OC)N[C@H](CC)Cc2c1[nH]c1ccccc21 962942580 FZACWDPTKDSMFC-JLTOFOAXSA-N 328.456 4.041 0 1 EIAF CN1C(=O)c2ncccc2-c2cc(-c3ccc(F)cn3)ccc2C12CC2 1857574329 IZIKBZZLXHLKOX-UHFFFAOYSA-N 345.377 4.024 0 1 EIAF CCC(C)=CC=C[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 2356435111 RMVHXWSDNTZFLY-NIQMUJFRSA-N 325.246 4.278 0 1 EIAF c1ccc(OCCNc2nc(NCC3CC3)nc3ccsc23)cc1 61907356 GAUDWZJNWUJVHG-UHFFFAOYSA-N 340.452 4.004 0 3 EIAF Cc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ncccn23)c1 203465941 RQLQQWDTJHMILI-UHFFFAOYSA-N 346.365 4.096 0 3 EIAF C[C@@H](c1ccccc1)N1O[C@]12CC[C@@]1(C)[C@H](CCCC13OCCO3)C2 6437452 XENZARRASDXGFQ-JYQDMYLFSA-N 343.467 4.425 0 1 EIAF NC(=O)c1cc2c(Oc3cccc(C(F)(F)F)c3)cncc2s1 13864385 HQDATQFCXGDWTN-UHFFFAOYSA-N 338.310 4.206 0 1 EIAF Cc1cccc(-c2noc(-c3cccnc3NCc3ccco3)n2)c1 21215592 ZMUMXAMVCDVEKS-UHFFFAOYSA-N 332.363 4.312 0 1 EIAF CCc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 28392822 LWNCQFKIWULIRV-UHFFFAOYSA-N 345.381 4.093 0 1 EIAF CN(C)CCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 45323410 BCWUSVINBWEPSQ-UHFFFAOYSA-N 336.401 4.414 0 1 EIAF CCCCC1=C[C@H](C2=NO[C@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 49766310 QJCLVHYTRRNFQZ-ZBFHGGJFSA-N 346.814 4.078 0 1 EIAF COc1cc2c(cc1OC)[C@H](N(C)C)C(c1ccccc1)=C2Cl 73369716 GFADEKHAHHJAFK-IBGZPJMESA-N 329.827 4.427 0 1 EIAF COc1ccccc1CN[C@H]1[C@@H]2CCN[C@]1(c1ccccc1)CC=C2C 101500978 HMCACXWESDLLOQ-PUHATCMVSA-N 348.490 4.008 0 1 EIAF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)ccc1O 105154853 PKAIECBWQZFYRP-NAWLMPFLSA-N 330.424 4.172 0 1 EIAF COc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl 117714805 BHRQCRFMVOTRQJ-OAHLLOKOSA-N 344.842 4.068 0 1 EIAF CO[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C\CC[C@]1(C)O 169315756 UPAIMEGFTSSJTL-HBDJPFNOSA-N 348.483 4.241 0 1 EIAF CC1(C)[C@H]2CC[C@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@H]1C2 169324274 ONBSSNHALHDLOT-OUAUKWLOSA-N 326.362 4.298 0 1 EIAF CN1CCc2c(c3cc(Cl)ccc3n2C(=O)Cc2ccccc2)C1 169350486 HVVIICOFYWKFOG-UHFFFAOYSA-N 338.838 4.166 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 238774642 UVGNAGKHBDTENQ-SFBHQDCJSA-N 330.424 4.257 0 1 EIAF CCCCC/C=C\[C@H](O)[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 238784271 CGXPEDOFBFGHJH-YSPKDNJDSA-N 336.472 4.158 0 1 EIAF C[C@@H](CC(=O)O)n1c(Cc2ccc(Cl)cc2)nc2ccccc21 299832634 QFUWTHNQHKPANZ-LBPRGKRZSA-N 328.799 4.316 0 1 EIAF Cc1cc(C(N)=O)c2nc(C)cc(NCc3c(C)cccc3C)c2c1 473090914 QIGBZEXFBAEBEV-UHFFFAOYSA-N 333.435 4.179 0 1 EIAF Cc1cc(Br)c2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2c1 587078922 CZOCYJRRBOFHDB-MRVPVSSYSA-N 339.624 4.093 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2cccc(Br)c2[nH]1 587133050 ONTHSQPDFXHVDM-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF N[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587154689 GEHMGFIHQJFIBO-ZBEGNZNMSA-N 335.304 4.062 0 1 EIAF CCc1ccccc1NC(=O)c1nc2nc(Cl)c(Cl)cc2[nH]1 587240930 LNDZXGIBQRHWDJ-UHFFFAOYSA-N 335.194 4.079 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 587241477 DCCWEFRXAHSPAV-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(O)c1)CC2=O 587462316 YBCWMAKYQPUPJZ-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]ncc3c1)CC2=O 587484953 OWVXYMNAVWDFKB-HXUWFJFHSA-N 336.391 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1C)OCO3)CC2=O 587493859 WNLUVJSUTYPQKN-QGZVFWFLSA-N 340.375 4.088 0 1 EIAF COc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1N 587512358 XAVHHSNLJKQCAW-NRFANRHFSA-N 337.419 4.037 0 1 EIAF Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)F 587629231 GGQIZCQCPHBLDR-UHFFFAOYSA-N 341.720 4.117 0 1 EIAF CCCCC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813865 QEQQFYSMWFDNJW-QFYYESIMSA-N 342.252 4.097 0 1 EIAF Brc1cnc(Br)c2[nH]c(C=C3CCC3)nc12 587964700 GPPSQYWCSJEVME-UHFFFAOYSA-N 343.022 4.050 0 1 EIAF COc1cccc(-c2cc3c(NCc4cccnc4)nccc3[nH]2)c1 618012689 XCLOZUAQGHMFCO-UHFFFAOYSA-N 330.391 4.246 0 1 EIAF Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)nn3c2)cc1 1202425138 LZWARVDIRYVZJK-UHFFFAOYSA-N 343.390 4.349 0 1 EIAF COc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=N)cc1 1772609396 KFUCJMGLSATUAF-UHFFFAOYSA-N 327.387 4.181 0 1 EIAF Cc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 61902459 DERDAOGKBXNIOO-INIZCTEOSA-N 332.325 4.486 0 3 EIAF Cc1ccccc1C(=O)O[C@H](CCN(C)C)c1ccc(Cl)cc1 13684582 JQQYUOWDFUWBPW-GOSISDBHSA-N 331.843 4.498 0 1 EIAF C1=C(c2ccccc2)C[C@@H](CN2CCN(c3ccccn3)CC2)CC1 13738845 AWOGKNNAUOHEDQ-IBGZPJMESA-N 333.479 4.087 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1ccnn1 26398959 OKJRJJXKSVCWCZ-WDPSMDGFSA-N 339.483 4.053 0 1 EIAF Cc1c2n(c3ccccc13)CCN[C@H]2c1ccc(Br)cc1 28566708 CKABFUPLAGCURL-KRWDZBQOSA-N 341.252 4.405 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@H]1CC[C@@]21CCCO1 29410823 OHOUPBLLXCZHSW-OQJVUYOESA-N 331.500 4.057 0 1 EIAF O=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2cccnc2)c1 40860407 ZGNMAZKDZPOEBL-UHFFFAOYSA-N 341.414 4.202 0 1 EIAF CC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103179497 UECCMHQWKSPAAL-QMMMGPOBSA-N 331.363 4.266 0 1 EIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(F)cccc3CC[C@H]21 117627102 ZOAXBNRBMBWPOC-DNVCBOLYSA-N 349.409 4.037 0 1 EIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)OCCc1cccc(Cl)c1 117735170 LZJNATFYOSUYSA-INIZCTEOSA-N 344.842 4.208 0 1 EIAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C 238752241 OFNWUWHDGCNABD-CSGHFTSRSA-N 346.511 4.489 0 1 EIAF C[C@@H]1[C@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](N)CC[C@@]5(C)[C@H]4CC[C@]23CN1C 255232142 MDZRHDNUSKCTSP-AWHJNORDSA-N 328.544 4.207 0 1 EIAF c1ccc(C2=NOC3(CCN(Cc4c[nH]c5ccccc45)CC3)C2)cc1 299850210 PDQWZQYYMCNFJK-UHFFFAOYSA-N 345.446 4.327 0 1 EIAF CCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299884927 URNPCBGMGVKOPO-WMLDXEAASA-N 340.471 4.232 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1 587062042 NTZZTRYRICXZHL-CQSZACIVSA-N 330.771 4.445 0 1 EIAF Fc1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 587168600 JGZRRTPTARZPMB-UHFFFAOYSA-N 339.139 4.183 0 1 EIAF CC(=O)SCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587209698 SCXUILFKRMATQY-UHFFFAOYSA-N 333.412 4.268 0 1 EIAF Oc1nc(O)c2ccc(-c3cccc(-c4ccccc4Cl)c3)nc2n1 587368181 DGRMOULDESBGAJ-UHFFFAOYSA-N 349.777 4.423 0 1 EIAF O=C1C[C@H](c2ccc(O)c(Cl)n2)Oc2c1ccc1c2CCCC1 587496243 AJPNZGRCXKGGND-MRXNPFEDSA-N 329.783 4.026 0 1 EIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587509084 WYDOGEOPRMZTFQ-GOSISDBHSA-N 326.367 4.420 0 1 EIAF Cc1ccnc2c1c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587515987 QANZTYOTBHFBTR-IBGZPJMESA-N 346.430 4.467 0 1 EIAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccc(C)cc1 653781743 SSBPNNCZRVWAAQ-JOCHJYFZSA-N 343.430 4.483 0 1 EIAF Cc1cc2c(c(O)n1)C(=O)O/C2=C\c1cc(-c2ccccc2)cs1 1857544971 SYGSSYCHJWHHEV-SXGWCWSVSA-N 335.384 4.493 0 1 EIAF CC(C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774842 KKKXWYJFBYYQRM-UHFFFAOYSA-N 330.771 4.393 0 1 EIAF CN(C)Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1 13727664 AZVDZKISXMORBW-UHFFFAOYSA-N 331.460 4.099 0 1 EIAF O=C(O)Cc1cc(C(=O)c2ccc(Cl)cc2)c2sccc2c1 26389980 QXJTURQBWGBFHI-UHFFFAOYSA-N 330.792 4.413 0 1 EIAF Clc1cccc(C[C@@H](c2ccccc2)N2CCNCC2)c1Cl 36093254 NXRPSLBPUSCIJD-KRWDZBQOSA-N 335.278 4.182 0 1 EIAF CCC(=O)NCC[C@@H]1C[C@H](c2ccccc2)Cc2ccc(OC)cc21 45506202 IWNXDLGQZHITSH-RTBURBONSA-N 337.463 4.425 0 1 EIAF O=C1O[C@H](COc2ccccc2C(F)(F)F)CN1c1ccccc1 49783812 SAASZOVUMKTLAZ-ZDUSSCGKSA-N 337.297 4.110 0 1 EIAF COc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1 147064222 AOGGBDPPWRCQMP-UHFFFAOYSA-N 348.381 4.156 0 1 EIAF COc1ccc(-c2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1 473149182 ISCPOGHOLMNWMD-UHFFFAOYSA-N 336.416 4.434 0 1 EIAF Oc1c(Br)ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883502 KKBWGGGNUZVJOE-YBIKONCISA-N 347.256 4.499 0 1 EIAF CC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109398 OLHMZIDTNZVWTQ-UHFFFAOYSA-N 348.280 4.150 0 1 EIAF COc1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 587112303 FTRVRLXAFNYDCM-SNVBAGLBSA-N 335.329 4.332 0 1 EIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)ccc2[nH]1 587147654 QEPHWKBSHNRNBX-UHFFFAOYSA-N 328.297 4.048 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1 587162611 XQKSUYZDZNTCIF-GHMZBOCLSA-N 332.176 4.131 0 1 EIAF Cc1ccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1N 587250607 MTRZEHBHEJCQGX-UHFFFAOYSA-N 335.329 4.137 0 1 EIAF Nc1ccc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)cc1 587251807 OKWIFNCGKUGVFL-FPYGCLRLSA-N 332.176 4.217 0 1 EIAF Cc1cccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587394138 QTSJCYNTZPPXMS-IBGZPJMESA-N 345.402 4.049 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccncc1)O2 587396092 WTWRQSDXOOXEGG-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)Sc1ccccc1)O2 587409669 NKWHTWIOAJVXQB-QGZVFWFLSA-N 327.449 4.482 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1)CC2=O 587475658 BTMREPSNUZMOAH-HXUWFJFHSA-N 326.392 4.234 0 1 EIAF O=C1C[C@H](c2cc(Cl)c(O)cc2O)Oc2c1ccc1c2CCCC1 587502865 GIORPEXQZQGRQF-GOSISDBHSA-N 344.794 4.337 0 1 EIAF C[C@]1(c2cc(F)c(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506719 OKVYKQRZTURJHU-HXUWFJFHSA-N 343.373 4.306 0 1 EIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(F)cc1 587630620 MWFTXODYTCUADW-UHFFFAOYSA-N 349.720 4.117 0 1 EIAF CS(=O)(=O)c1ccc2[nH]c(C3CC3)c(-c3ccccc3F)c2c1 587648981 FOMXGHABVKTPNM-UHFFFAOYSA-N 329.396 4.255 0 1 EIAF CC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587702637 FDOJJAFDRXNZKT-JMCQJSRRSA-N 340.158 4.290 0 1 EIAF Cc1cc(C)nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773622 RBRAJIBGLKKUEI-APPDUMDISA-N 349.247 4.224 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@H]2C3(C)C)N1 587829062 QKXOOUSKGPKDEH-ARCMYPMTSA-N 338.264 4.384 0 1 EIAF CSc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876674 TVJBFXCRUNHVLR-UHFFFAOYSA-N 326.352 4.205 0 1 EIAF O=C1C[C@H]2C[C@@H](C1)C[C@@]1(C2)c2ccsc2CCN1Cc1ccco1 962714550 WNIVVCLMSABUMP-QVDMIQRCSA-N 341.476 4.374 0 1 EIAF C[C@H](NCC1CCCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356355618 GUUJEFBZHLPGDZ-LBPRGKRZSA-N 346.402 4.410 0 1 EIAF CC1(C)[C@H]2CCC3=C[C@](C)([C@@H]4COC(=O)O4)CC[C@H]3[C@@]2(C)CC[C@H]1O 2356445441 BGSJFVGLRGGPJP-RYQGBKPXSA-N 348.483 4.462 0 1 EIAF CC(=O)Oc1ccc2c(c1)CC[C@]1(C)[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]21 2356605758 PYRGOWFQJKEJMV-VURPSTOHSA-N 326.436 4.427 0 1 EIAF COc1ccccc1CNc1ncncc1-c1ccccc1Cl 4239359 HGNUYGVZNJEOIO-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF COc1ccccc1CNc1ccnc(-c2ccccc2Cl)n1 4267046 HBEWCOQBMMYRLQ-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF O=C(c1cc(Cc2ccccc2)ccn1)c1ccc2cccnc2c1O 5934297 WEIXAGQRLZTLOV-UHFFFAOYSA-N 340.382 4.157 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2n1cncn1 13509684 OPPZNEHAUJDDQH-SOMHSPELSA-N 337.467 4.261 0 1 EIAF CCc1sc2nc(SC)n(-c3ccc(OC)cc3)c(=O)c2c1C 28948963 DMGKHJBSJILDIF-UHFFFAOYSA-N 346.477 4.049 0 1 EIAF Nc1cccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)c1 33943533 JDNMRPIWJIDDAY-UHFFFAOYSA-N 335.798 4.376 0 1 EIAF in-vivo Fc1cccc(CNC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 43078803 IIZMNLPJUHGQIJ-OYRHEFFESA-N 345.421 4.357 0 1 EIAF Clc1ccc(-c2nc(CNCc3cccnc3)co2)c(Cl)c1 72184037 TZCVXBRRILPVPI-UHFFFAOYSA-N 334.206 4.333 0 1 EIAF c1cc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2cn1 95559347 BHZUPLNMJWOMNG-UHFFFAOYSA-N 325.437 4.470 0 1 EIAF COc1ccc(Cl)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226082195 GVJWSUOSCNRXJM-UHFFFAOYSA-N 341.842 4.359 0 1 EIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(=N)[nH]ccc4[nH]3)c21 587031429 RVICJMIMQFHZRV-LLVKDONJSA-N 349.463 4.329 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587043576 SAMXMSYYAGQVQT-AWEZNQCLSA-N 344.823 4.392 0 1 EIAF COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)nn1-c1ccccc1F 587156356 MQOYWCWDZJAWAY-UHFFFAOYSA-N 336.370 4.180 0 1 EIAF C[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173381 CIZIUWASSLJYIK-QGZVFWFLSA-N 348.736 4.123 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(=O)O)c1 587365010 BYYDQGKIYWZGGT-AWEZNQCLSA-N 345.354 4.381 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(C)c(C)cc3n1)O2 587393959 CFNRMEIWTLXHAG-HXUWFJFHSA-N 332.403 4.449 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(CCc1c(F)cccc1F)[C@@H](C2)C3=O 587422886 GLENWUSTDHKNTR-XOBRGWDASA-N 344.357 4.112 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N(C)C)cc1)CC2=O 587471004 XRIRTSKWLOEQQL-OAQYLSRUSA-N 339.435 4.291 0 1 EIAF CCCCn1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1 587475329 MFCUIXKLISOSCD-SFHVURJKSA-N 328.412 4.048 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3sccn13)CC2=O 587499341 MEEOHTBXLSCIFJ-OAHLLOKOSA-N 342.420 4.069 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)NC1CCCCCCC1 587638430 PTPAACCYYOJOSN-UHFFFAOYSA-N 328.412 4.017 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2F)N1 587726534 JYTJBQPNHQAAHM-ABKXIKBNSA-N 338.195 4.351 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@H]1C1=CCCSC1 962402383 ZXEJRKWXJUCZPS-GOSISDBHSA-N 330.522 4.249 0 1 EIAF COCC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356708703 ZGUWBFQPMRYQET-MDUNAHHLSA-N 348.527 4.222 0 1 EIAF CCCc1cc(O)cc(O)c1Oc1cc(O)cc(CCC)c1C(=O)O 2356723029 XFSDWNFDWVNEFS-UHFFFAOYSA-N 346.379 4.199 0 1 EIAF COc1ccc(C(=O)[C@@H]2CCCN(CC3CCCCC3)C2)cc1OC 11840973 MHYQHWLKERVOMZ-GOSISDBHSA-N 345.483 4.179 0 3 EIAF COc1ccc([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)cc1F 61903524 ZRLNNDJLRGQOSK-FQEVSTJZSA-N 348.377 4.459 0 3 EIAF O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 13579340 XVFXJQGBDPFCRF-UHFFFAOYSA-N 338.495 4.009 0 1 EIAF Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(N)=S)cc1 49033500 LNQLPJTUONOFGP-MRXNPFEDSA-N 329.856 4.043 0 1 EIAF CC[C@H](C)NC(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 84688812 TZELXYVPZOAABL-LBPRGKRZSA-N 339.826 4.479 0 1 EIAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C1CCC1 144714504 URPJDFZBMBPNIR-SFHVURJKSA-N 332.321 4.448 0 1 EIAF O=C1[C@@H]2[C@@H]([C@H]3C[C@@H]2[C@@H]2[C@H]4C=C[C@@H](C4)[C@@H]32)[C@H]2[C@H]3C[C@@H]([C@H]4[C@H]5C=C[C@@H](C5)[C@@H]34)[C@@H]12 254134327 NCVGHTNYYDKVAM-UYSCXVAOSA-N 344.498 4.210 0 1 EIAF Clc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587006429 NKDZJOCWRSGVPX-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF COC(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2n1 587055073 QZTPZGDLXHESHG-YVMONPNESA-N 348.189 4.222 0 1 EIAF COc1cccc(-c2cc(CNC(C)=O)nc3c2oc2ccccc23)c1 587360713 RQJTUTBXGNAGTA-UHFFFAOYSA-N 346.386 4.293 0 1 EIAF Cc1nc(-c2cnccn2)sc1-c1cc2c3c(cccc3n1)CC2 587361728 ZYFMTGDVRHWFGI-UHFFFAOYSA-N 330.416 4.222 0 1 EIAF CCc1nc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2o1 587394376 FYPFKBFYJOSSRZ-FQEVSTJZSA-N 336.391 4.161 0 1 EIAF Cc1[nH]c2ncccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522933 GBOFRQRRVRPCRJ-GOSISDBHSA-N 332.403 4.457 0 1 EIAF CCOC(=O)C[C@@]1([C@@H](C)CC)CC(=O)c2ccc3c(c2O1)CCCC3 587523550 KBDAJWBJPWXXGT-LHSJRXKWSA-N 344.451 4.269 0 1 EIAF C[C@H]1COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536077 RFTBKWFWNKZDQB-FPTDNZKUSA-N 334.415 4.455 0 1 EIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccc1F 587629059 FFSKXOXIOBOHCZ-UHFFFAOYSA-N 349.720 4.117 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2F)N1 587738476 ORMHDKBHKQEHML-TURNYIBQSA-N 330.216 4.230 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587786478 QSHZXEFXACQOMZ-CHWSQXEVSA-N 344.773 4.299 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)c(F)cc1F 587870729 HGCOVLWJNWJDHF-UHFFFAOYSA-N 336.288 4.494 0 1 EIAF C[C@@H]1C[C@H]1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955205 KCWLNHCRXCTELU-HSMVNMDESA-N 325.374 4.054 0 1 EIAF COc1cccc(C(=O)CC(=O)c2ccc(OC(F)(F)F)cc2)c1 1857616562 ASCOKVHFCCUMDP-UHFFFAOYSA-N 338.281 4.050 0 1 EIAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C 2356408274 ZPBBRJYUYLDTJN-ZRJWFPIGSA-N 346.511 4.179 0 1 EIAF CC(C)CNC(=O)C=CC=CCCC=Cc1ccc2c(c1)OCO2 2356497137 BPSWISYORIWKCT-UHFFFAOYSA-N 327.424 4.093 0 1 EIAF CC/C(=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 13607874 PLSALUSSHGAGQA-ZROIWOOFSA-N 344.407 4.377 0 1 EIAF Cc1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 13612106 WHOAYMSFKHELFP-UHFFFAOYSA-N 343.386 4.430 0 1 EIAF CCCCC/C=C/C[C@@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)O 25974099 LRPPQRCHCPFBPE-ILJLCKJHSA-N 338.488 4.382 0 1 EIAF O=C1Nc2ccccc2C12CCN(CC1CCCCCCC1)CC2 28528270 DEUFHYFPEZZSNA-UHFFFAOYSA-N 326.484 4.333 0 1 EIAF C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](OC2CCCCCCCCCCC2)O1 58632974 KZKWNNFETLOBHX-MDNKFWRPSA-N 341.536 4.102 0 1 EIAF in-vitro CC(C)Oc1ccc([C@](O)(c2cccnc2)c2ccccc2F)cc1 72184440 HZWMOOVPDUBBSO-NRFANRHFSA-N 337.394 4.292 0 1 EIAF CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1 73296693 BCARETJUTDWGMW-UHFFFAOYSA-N 337.761 4.332 0 1 EIAF NC(=S)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2ccccc2c1 95581681 XFEHHJQRPUGUMO-IBGZPJMESA-N 349.434 4.374 0 1 EIAF Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@H]2CCCC[C@@H]2C3)cc1 101742732 WPKQJUXBHISZDT-HZPDHXFCSA-N 340.492 4.125 0 1 EIAF CCc1nn(C)c(C2=N[C@H](c3ccc(C(C)(C)C)cc3)CO2)c1Cl 103170591 DKCYXYKEDGFMOH-HNNXBMFYSA-N 345.874 4.452 0 1 EIAF O=C1NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2Cl)S1 115793660 GBNREXIKMQQLOI-NTEUORMPSA-N 345.807 4.243 0 1 EIAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4cccc(C=O)c4)coc23)O1 299840719 ZAPQYJIJISSMLB-UHFFFAOYSA-N 332.355 4.457 0 1 EIAF Fc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1F 587003535 LOEPPSKYEDEYBX-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF Cc1c(Cl)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042667 VNOMAROLCMJMES-HZPDHXFCSA-N 343.883 4.471 0 1 EIAF Cc1ccc2c(ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c32)n1 587087968 HBDAEHNRQRKEDC-NSHDSACASA-N 328.366 4.169 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3)nc1)O2 587394244 RQTGVCCTYHPPCR-LJQANCHMSA-N 346.386 4.471 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587427817 VYMBHHSFEBXWFE-VBKZILBWSA-N 344.357 4.112 0 1 EIAF CC(C)C[C@]1([C@@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523302 HVNZSMHKKIAULP-VGOFRKELSA-N 341.495 4.315 0 1 EIAF Cc1ccoc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614587 CXGRMUQHRPNNKF-UZLBHIALSA-N 336.343 4.171 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCC[C@@H](C)C1 587623783 PIPWTYMMNIJCGW-SECBINFHSA-N 347.260 4.351 0 1 EIAF CCOc1cc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)ccc1C 587778082 IUCPWFDCCSZPCY-UHFFFAOYSA-N 344.798 4.377 0 1 EIAF C[C@H](CCc1nc2cc(Br)cc(Cl)c2[nH]1)CC(=O)O 587961352 SCHNDUPUWDRJRQ-SSDOTTSWSA-N 345.624 4.022 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 587970331 FUQNWZGASGAIEO-UHFFFAOYSA-N 343.789 4.180 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc2cccc(C)c2[nH]1 963635354 LZPAXSAABUWVEO-ASSNKEHSSA-N 336.435 4.117 0 1 EIAF CNC[C@@H]1C[N@]1[C@@H]1C=CC[C@@]2(C)[C@@]13CC[C@@H](C)[C@]21CCC(C)=C1C3 2356358832 YKMCBIXVHAACBC-FVHJPJHTSA-N 326.528 4.142 0 1 EIAF CC1=C[C@H](O)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@@H]2C1 2356426142 QLVPTADECVIDJG-UELOQWINSA-N 330.424 4.017 0 1 EIAF CCCCC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@@H]1OC 2356728705 SOCRUGYUGDSRET-DNVCBOLYSA-N 348.439 4.413 0 1 EIAF COC[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(C)O)CC1=O 11612687 WACMAERIMWMBMZ-JGNIRXSJSA-N 348.527 4.222 0 1 EIAF biogenic O=C(Nc1cc2ccccc2[nH]1)Nc1cc(Cl)ccc1C(=O)O 13531929 JPANNLQLRVGBRA-UHFFFAOYSA-N 329.743 4.164 0 1 EIAF COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(C)cccc23)cc1 13758869 LEQWJVMWXBZLPN-UHFFFAOYSA-N 347.418 4.214 0 1 EIAF COc1cc(C[C@@H](C)N)c(OC)cc1CCCCc1ccccc1 13809600 WFHQKLDPRBJNSJ-MRXNPFEDSA-N 327.468 4.159 0 1 EIAF CC(C)COc1ccc(Cl)cc1Cc1nc(C(=O)O)cs1 29045028 RIEJSGMMTLKYDM-UHFFFAOYSA-N 325.817 4.120 0 1 EIAF CCCNc1nc(NCc2c(C)cccc2C)nc(NC(C)(C)C)n1 45227861 XFXXABQNZQAZEM-UHFFFAOYSA-N 342.491 4.133 0 1 EIAF CC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1[C@H]1CC[C@H]2C1 116161474 FRORTYGPFAFNJQ-RYUDHWBXSA-N 343.858 4.419 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@@H](c2ccccc2F)C1 169704930 MNXPYZUSFURMKS-OLZOCXBDSA-N 338.386 4.160 0 1 EIAF C[C@H]1C(=O)C=CC(C)(C)C[C@@H]2O[C@]2(C)CC[C@H]1NCc1ccccc1 299808745 PYTYZEOZZHQWSA-UYKQMDHISA-N 341.495 4.274 0 1 EIAF CN(CCCN1CCc2oc3ccccc3c2C1)Cc1ccccc1 299821593 LAEZOUGAISLBDR-UHFFFAOYSA-N 334.463 4.313 0 1 EIAF Cc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c(F)c1 314226001 PORMGQXBKOOLQD-UHFFFAOYSA-N 349.159 4.138 0 1 EIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 586909132 WAHIJYYRCFLKMY-SECBINFHSA-N 334.297 4.163 0 1 EIAF CCCCOc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586910783 BFIYVJXINGAONO-JTQLQIEISA-N 339.233 4.008 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036859 OLKPMBZZLQLZJG-LLVKDONJSA-N 341.383 4.417 0 1 EIAF Cc1c(Cl)ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052839 PEIMRNXXJACLRE-GFCCVEGCSA-N 336.222 4.126 0 1 EIAF Cc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587175345 YNCNZUUZAUOHKS-HNNXBMFYSA-N 347.187 4.449 0 1 EIAF COC(=O)Cc1c(-c2ccc(Cl)cc2)nc2cccc3c2c1CC3 587209810 YDHLTAJHTRWTOP-UHFFFAOYSA-N 337.806 4.369 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(C(C)C)O2 587384753 OLBVGPJGKCDBAC-FQEVSTJZSA-N 327.399 4.319 0 1 EIAF CCCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399355 JEQSIKMNBSAMSG-LJQANCHMSA-N 325.408 4.463 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1)CC2=O 587476992 HBHSBRYRQJZGRH-FQEVSTJZSA-N 326.392 4.234 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](C)C(=O)OCC)CC2=O 587485299 VELFVUBYJMOUCD-RNODOKPDSA-N 348.439 4.048 0 1 EIAF CC(C)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657095 UOGRRFJDYPCXNW-UHFFFAOYSA-N 342.345 4.028 0 1 EIAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587772948 PTYRRUPHPAVKOV-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587931235 RJKDFVGJAQIICA-SJKOYZFVSA-N 347.340 4.431 0 1 EIAF Cc1c(C)c(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O 587945571 NGSCXHCZXXCCDP-INIZCTEOSA-N 329.371 4.470 0 1 EIAF COC(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2n1 587962767 YAHXKMIIEHZIQI-UHFFFAOYSA-N 343.386 4.002 0 1 EIAF Cc1cccc(N2CCN(Cc3c[nH]c4ccc(F)cc34)CC2)c1C 621476502 IPCHJOAVXGKMKS-UHFFFAOYSA-N 337.442 4.246 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(C(C)(C)C)s1 963606541 IEGIAVSFVTVBLN-DIFFPNOSSA-N 346.496 4.081 0 1 EIAF CC(C)=CCOc1cccc(NC(=O)Nc2cccc(C(=O)O)c2)c1 1772615760 WWTXKJSGLKCZES-UHFFFAOYSA-N 340.379 4.374 0 1 EIAF C[C@@]1(Oc2ccc(Cl)cc2)CCN(CCOc2ccccc2)C1 1857602609 SHXNMYNFGRHTQN-LJQANCHMSA-N 331.843 4.262 0 1 EIAF CC(C)=CCCC1=CC[C@@H](C(C)=CCCC2=CCOC2=O)OC1=O 2356377927 PRLXHEUKWIVTBJ-SFHVURJKSA-N 330.424 4.184 0 1 EIAF COC(=O)c1c(-c2ccccc2OC)sc2ccc(OC)cc12 36388666 LUZFEQOQOWFUMR-UHFFFAOYSA-N 328.389 4.372 0 3 EIAF C/C=C/[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954206 WHWHOCJFHMCYEE-KXMPLOMGSA-N 325.117 4.196 0 1 EIAF Cc1ccccc1-c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1 45286066 OTLXPFZNAMLUDF-UHFFFAOYSA-N 349.459 4.175 0 1 EIAF Cc1cccc(Cn2c([C@H](C)N)nc3cc(C(F)(F)F)ccc32)c1 72117092 LSBBTTMSPBWQNO-LBPRGKRZSA-N 333.357 4.432 0 1 EIAF Cc1cccc(NCc2cccc(C(=O)Nc3nc(C)cs3)c2)n1 95755547 JEVTZTUELLKVOC-UHFFFAOYSA-N 338.436 4.019 0 1 EIAF CCC(=O)N[C@@H]1CCCc2c(-c3ccc(Cl)c(F)c3)cncc21 205717139 BTXHAHICPWSTRI-QGZVFWFLSA-N 332.806 4.445 0 1 EIAF in-vitro CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3C=C12 504375217 MWMPYXXDHZQTTO-KZFRKFNSSA-N 343.511 4.343 0 1 EIAF biogenic CCOC(=O)[C@@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587103256 JUBUFYZKXSQLQV-SFHVURJKSA-N 349.361 4.328 0 1 EIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(C)c3[nH]2)cc1 587244886 OGVMSQOZBAQACG-UHFFFAOYSA-N 346.390 4.011 0 1 EIAF C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357868 WDOOBDHWRJGRDY-LIUKBUMOSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccco1)O2 587386440 YSRUMYBLGNEMCC-FQEVSTJZSA-N 337.350 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(O)c1)O2 587404446 QKHMXSRNBIIHGX-QFIPXVFZSA-N 345.398 4.192 0 1 EIAF CC[C@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426819 QFWCXVFEDKWDPH-BFUOFWGJSA-N 330.330 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(F)cc31)CC2=O 587472035 OYWLRFFPSBEMDL-HXUWFJFHSA-N 342.366 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cccc1N)CC2=O 587473514 WNMJMYVVAYRVJJ-FQEVSTJZSA-N 325.408 4.116 0 1 EIAF CC[C@]1(c2ccc(F)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587505199 HRXDTFXOSUBQKJ-HXUWFJFHSA-N 325.383 4.370 0 1 EIAF CCN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587509166 YBLOIPPDXVVTJA-LJQANCHMSA-N 336.435 4.123 0 1 EIAF O=C1C[C@H](c2cc(F)cc(F)c2O)Oc2c1ccc1c2CCCC1 587510067 YHYZEANKBBLZME-QGZVFWFLSA-N 330.330 4.256 0 1 EIAF C[C@@]1(c2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523050 GVCKDNIOMFDQFI-NRFANRHFSA-N 348.402 4.028 0 1 EIAF CC(C)(CCC(=O)O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531342 ZBCOAEHUMLLTSM-HXUWFJFHSA-N 330.424 4.180 0 1 EIAF O=C1C[C@H](c2scc3c2OCCO3)Oc2c1ccc1c2CCCC1 587531827 MMLURCBYYBMNCE-OAHLLOKOSA-N 342.416 4.105 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)ccc1F 587652028 UITMOOWNKBLIAY-UHFFFAOYSA-N 342.679 4.197 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2F)N1 587725042 BFWIJFZSMBEODI-UHLUBPPHSA-N 344.224 4.412 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@@H]2CCCO2)N1 587829934 DDDSSFDFYZPPIB-SCDSUCTJSA-N 342.252 4.123 0 1 EIAF O=C(c1nc2ccccc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587875766 INFZLVITLGKBBC-UHFFFAOYSA-N 337.335 4.093 0 1 EIAF COc1ccc(CCCc2nc3cc(C)c(F)cc3[nH]2)cc1OC 587926375 YAXUOIHFGUILNO-UHFFFAOYSA-N 328.387 4.203 0 1 EIAF CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)NC=O)O1 2356431767 DODQPAWNEFWWQB-XLIFZOOWSA-N 331.500 4.387 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C)[C@]12C 2356444559 ZGSGPGJJWNVAIA-VLGSXBFTSA-N 334.456 4.332 0 1 EIAF CCC(C)=C[C@@H]1C(=O)O[C@@H]2C=C[C@@H](C(=O)OCCC(C)C)CC[C@@H]21 2356809360 AQGUKTHRCNAALC-XWTMOSNGSA-N 334.456 4.056 0 1 EIAF CC(C)CN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2 3955751 KIBQGBPABYXGOT-UHFFFAOYSA-N 330.472 4.019 0 1 EIAF CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 12659053 JTFAPYUEBOLXAA-DIZVHYTASA-N 333.516 4.176 0 1 EIAF CCC[C@@H](C)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13795008 HZBNKSCVHXIYTF-CQSZACIVSA-N 338.459 4.045 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC1CC1 25963858 AXYMUXKMWNDOHO-YHOAHWDJSA-N 342.479 4.245 0 1 EIAF C[S@](=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 27415176 QAVMJCZGFFCCRL-HSZRJFAPSA-N 342.386 4.128 0 1 EIAF Cc1cccc(C)c1C1=CC[C@H](N2CCN(c3ccccn3)CC2)CC1 40380640 CXRPNLXEOUCETI-NRFANRHFSA-N 347.506 4.457 0 1 EIAF O=C(NCc1ccc(-c2ccccc2)cc1)c1cc(=S)c(O)co1 40428780 FBFLGERGLQVEPE-UHFFFAOYSA-N 337.400 4.312 0 1 EIAF CCN(C(=O)c1ccccc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 49087856 NDKHUEXUSJSUTB-INIZCTEOSA-N 346.434 4.316 0 1 EIAF C[C@H]1C[C@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66136692 UIVXVKDVVGELNW-GXZWQRSESA-N 339.410 4.403 0 1 EIAF C=C(N(C)Cc1ccc(-c2ccccc2)cc1)N1CCN(C(C)C)CC1 72178678 ZIQPYQDHSBARGA-UHFFFAOYSA-N 349.522 4.283 0 1 EIAF CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@@](C)(CO)CCC[C@@]1(C)[C@@H]3CC2 143225115 FOJASOMGHWMNTD-MNTQBVMMSA-N 346.511 4.489 0 1 EIAF C[C@@H](c1ccccc1)N(C)C(=O)Nc1nc(-c2ccncc2)cs1 169323194 FSEYAVOCUCTBIZ-ZDUSSCGKSA-N 338.436 4.430 0 1 EIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(C)=O)[C@@H]1c1ccc2ccccc2c1 169723403 AXZLHNLDQQCYLB-CTNGQTDRSA-N 349.430 4.440 0 1 EIAF OCc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 586895017 KXTNQJQXJIQAMA-UHFFFAOYSA-N 337.604 4.138 0 1 EIAF O=C1O/C(=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 586905886 FXWJYOXEAGDDRA-MDWZMJQESA-N 346.264 4.130 0 1 EIAF Clc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c(Cl)n1 587036745 LLZTXHYEDNSMSQ-VIFPVBQESA-N 340.235 4.183 0 1 EIAF NC(=O)c1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048249 GOUFKVLNVMPLED-NXEZZACHSA-N 346.217 4.240 0 1 EIAF Clc1ccccc1OCc1ccc(-c2nc3cnncc3[nH]2)cc1 587063217 IPNYCXHVCRGIPY-UHFFFAOYSA-N 336.782 4.252 0 1 EIAF Cc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076293 UYSAXHJINMGRKU-UHFFFAOYSA-N 348.797 4.254 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587087583 DSRCAIJQOHBJGN-LURJTMIESA-N 333.169 4.014 0 1 EIAF Nc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C(F)(F)F)c1 587095356 FKWFHUBOQOMQGR-UHFFFAOYSA-N 331.219 4.248 0 1 EIAF CCc1c(C2CCNCC2)nc2cccc3c2c1-c1ccccc1C3=O 587106652 MRJMVBPKOWTJAQ-UHFFFAOYSA-N 342.442 4.476 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2c1 587160900 ICHOQTVWURZMQO-QWHCGFSZSA-N 344.773 4.413 0 1 EIAF CCc1ccccc1NC(=O)c1nc2cc(Br)ccc2[nH]1 587241325 UIBCSVISQOFJEB-UHFFFAOYSA-N 344.212 4.140 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1C(C)C)O2 587389745 JGGNBXBLCBGFFV-SFHVURJKSA-N 335.407 4.214 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([C@H]3CCCO3)s1)O2 587409285 HMVPIGXEMGRSQP-HUUCEWRRSA-N 329.421 4.197 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1c(C)cccc1C)CC2=O 587479223 CFGUNLKRSKUPHT-SFHVURJKSA-N 338.403 4.178 0 1 EIAF O=C1C[C@H](c2c(F)c[nH]c3nccc2-3)Oc2c1ccc1c2CCCC1 587510849 XJKNMGNZKLZICT-QGZVFWFLSA-N 336.366 4.239 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(F)(F)F)N1 587709553 NMQLFFUHVOAFAS-KRTXAFLBSA-N 340.158 4.290 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H]2C3(C)C)N1 587831780 XUZUCKSVUGAVMY-IXFPXVLDSA-N 338.264 4.384 0 1 EIAF CC1(C)Cc2n[nH]cc2[C@@]2(C1)NCCc1cccc(-c3ccccc3)c12 962664023 HZDQEXDUROGVLV-HSZRJFAPSA-N 343.474 4.438 0 1 EIAF CCC[C@]1(CC(=O)O)OCC[C@H]2c3c(CC)ccc(Cl)c3N[C@@H]21 1911578161 VKTVUCGOLRTKFR-UYHISHBKSA-N 337.847 4.214 0 1 EIAF COc1ccc2nc3sc(C(=O)Nc4cccc(C)n4)cc3cc2c1 428349 UJPJFSBEHLXBLM-UHFFFAOYSA-N 349.415 4.414 0 1 EIAF O=C(Nc1ccccc1)Nc1nc(-c2ccncc2)nc2ccccc12 13808618 WRULZCYYNAUCJE-UHFFFAOYSA-N 341.374 4.336 0 1 EIAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@H](C)[C@@H]2C)ccc1O 14726798 YHPHTNNPOSLWIM-JOOBJXAISA-N 328.408 4.075 0 1 EIAF biogenic CCCOC(=O)c1[nH]c(Cl)c(C(=O)O[C@H](C)C(C)(C)C)c1C 26254102 FSVMPHLKSONXJU-SNVBAGLBSA-N 329.824 4.135 0 1 EIAF CSc1nc(Nc2cccc(Br)c2)c2cccnc2n1 27656732 ORKRYRFZBCZFGE-UHFFFAOYSA-N 347.241 4.253 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@]4(CCCO4)[C@@]3(C)CC[C@H]12 29416722 QNMBJXHTULXJII-YUWXWWRGSA-N 345.527 4.399 0 1 EIAF COc1ccccc1CCc1ccccc1OCCCCN(C)C 29479705 VPTMVMRUXHXVOL-UHFFFAOYSA-N 327.468 4.201 0 1 EIAF CCn1c2ccncc2c2cc(C(=O)c3cccc(OC)c3)ccc21 71316294 VNPIAIUYWXDTHG-UHFFFAOYSA-N 330.387 4.449 0 1 EIAF Cc1sc2ccccc2[n+]1CCC[n+]1c(C)sc2ccccc21 72139758 JMCMYSRBWCGQAZ-UHFFFAOYSA-N 340.517 4.398 0 1 EIAF O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(F)cc1 73222561 NOLNQMFTDAFHCP-UHFFFAOYSA-N 331.350 4.120 0 1 EIAF COc1cccc(CCNc2cc(-c3ccc(F)cc3F)ncn2)c1 82160585 RVEIFLMLIXDWKA-UHFFFAOYSA-N 341.361 4.085 0 1 EIAF CC1(C)CCCC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 98084529 UEANZADODZLWGO-APWZRJJASA-N 347.890 4.122 0 1 EIAF CSc1ccc(-c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1 102662546 AZMDMCPBWDYFIW-CJNGLKHVSA-N 332.494 4.068 0 1 EIAF O=C(Nc1ccncc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 166607802 IQVFYBZPIQOLOL-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C=CC=C[C@@H]12 195417103 OVHUTOPKMFWCLP-LDDIKCJXSA-N 342.049 4.006 0 1 EIAF CCC(C)(C)c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 586881436 LOAUODLWEPFUFJ-UHFFFAOYSA-N 335.407 4.248 0 1 EIAF Cc1ccc2c3c(cc(-c4cncn4C)nc13)-c1ccccc1C2=O 587096465 BPVZQTXXCKEPHS-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587096510 DOGKNVWXYFKOFN-UHFFFAOYSA-N 345.398 4.169 0 1 EIAF Cc1ccc2c3c(cc(C[C@H]4CCCCN4)nc13)-c1ccccc1C2=O 587097522 QDAZICMUUOHDCO-OAHLLOKOSA-N 342.442 4.439 0 1 EIAF FC(F)(F)c1cncc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587115359 LAFBAHALDMXTKU-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF CC[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206466 DKQGFZMJWQDAKC-LBPRGKRZSA-N 327.383 4.455 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 587783774 ACJSIEIODDCISR-KBPBESRZSA-N 326.783 4.160 0 1 EIAF COc1ccc(OC)c(-c2nc3cc(Cl)cc(C)c3[nH]2)c1OC 587790016 BGJUUOLSLBWLFJ-UHFFFAOYSA-N 332.787 4.218 0 1 EIAF COc1ccc2c(c1)C[C@H](c1nc3cc(F)c(F)c(F)c3[nH]1)CC2 587936294 BMDDSHCHTUCDSG-SNVBAGLBSA-N 332.325 4.261 0 1 EIAF Cc1cccc(C)c1OCc1cc(C(=O)N2CCCCCCC2)no1 12714410 ZIHGXOJSXNJHJT-UHFFFAOYSA-N 342.439 4.277 0 3 EIAF CC1(C)OCN(c2ccc(Cl)cc2)Cn2c1nc1ccccc12 13214715 XKKVYZYWVUINKZ-UHFFFAOYSA-N 327.815 4.377 0 1 EIAF COc1ccc2c(c1)O[C@@H](c1cccnc1)[C@H](c1ccccc1)C2=O 13220623 BCPRALJNRUBHRE-CTNGQTDRSA-N 331.371 4.190 0 1 EIAF O=C(NCCc1c2n(c3ccccc13)CCc1ccccc1-2)C1CCC1 13494174 FJXNRHKWTUEPTK-UHFFFAOYSA-N 344.458 4.323 0 1 EIAF CCCc1nc2ncccc2n1Cc1cc(Cl)c(O)c(Cl)c1 26272547 OAAOFGOXQBDSPV-UHFFFAOYSA-N 336.222 4.445 0 1 EIAF C[C@@H]1CCC[C@@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 40379510 KMPYMLCZTFQZON-HWPZZCPQSA-N 341.238 4.276 0 1 EIAF COc1cc(OC)c2c(OC(=O)c3cccc(Cl)c3)ccnc2c1 45286442 PXZZOLNAUKJIAT-UHFFFAOYSA-N 343.766 4.125 0 1 EIAF Cc1cccc(C)c1C(=O)N[C@@H](c1ccccc1)C12CCC(CC1)N2C 68245141 ITNYGRCQIUPSGT-SWCONJRYSA-N 348.490 4.401 0 1 EIAF Cc1ccc(N2C(=N)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 69061605 NMKKUPGMZXVBSV-UHFFFAOYSA-N 329.812 4.400 0 1 EIAF COc1cccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3C)c1 74372891 ZMTZTBNXDNVZCD-UHFFFAOYSA-N 330.391 4.388 0 1 EIAF COc1ccc(Cn2ccc(=O)c3ccc(C(F)(F)F)cc32)cc1 102419254 VXZVSXGUOYLBDS-UHFFFAOYSA-N 333.309 4.077 0 1 EIAF CC(C)=CCC[C@@H](CCC/C(C)=C/CC/C(=C/CO)CO)C(=O)O 238741747 VMPCSQZZXPUVEG-PPWBAOGBSA-N 338.488 4.241 0 1 EIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587072218 OWIQGDUKNRMOKB-UHFFFAOYSA-N 342.679 4.198 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2cnc3ccccc3c2[nH]1 587228923 JVXCDIAZFAZGKV-UHFFFAOYSA-N 346.434 4.473 0 1 EIAF COc1cc2c3c(c1)O[C@](Cc1cccc(C)c1)(C1CC1)[C@@H](C2)C3=O 587446003 QXWMSLXAJXERBI-PGRDOPGGSA-N 334.415 4.143 0 1 EIAF CCCc1c(O)ccc2c1OC1(CCN(CCC(C)C)CC1)CC2=O 587476612 QCPCNZRGNOWPMV-UHFFFAOYSA-N 345.483 4.191 0 1 EIAF Cc1ccnc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587525490 NPYKUCFKPYYTOL-SFHVURJKSA-N 332.403 4.457 0 1 EIAF CSCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587843508 IPQFEUZWHWZGAH-LKFCYVNXSA-N 332.282 4.307 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C)n(C2CC2)c1C 963639475 VHMOKGJVERBHMH-XUSGNXJCSA-N 340.467 4.081 0 1 EIAF Clc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1 4265469 CQZSKJJQTXBOJL-UHFFFAOYSA-N 338.842 4.114 0 1 EIAF CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 13523233 XLFWHXZCZSUEDV-OJDYBEQGSA-N 342.266 4.123 0 1 EIAF Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccccc34)cn2)cn1 40934433 HWRZBKAPVVWFKD-UHFFFAOYSA-N 344.374 4.311 0 1 EIAF C[C@@H]1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1 45340139 DYAMDVYBLGVRFS-CYBMUJFWSA-N 329.831 4.351 0 1 EIAF CN1Cc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 45495414 URVMSYHISUZXNH-UHFFFAOYSA-N 341.212 4.086 0 1 EIAF Cc1cc(C(=O)c2ccccc2C)ccc1OCCN1CCCCC1 45506417 LFFVFXDATWITGB-UHFFFAOYSA-N 337.463 4.399 0 1 EIAF O=C(c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1)N1CCCCC1 64645747 UYFKEZDNNGLWRM-UHFFFAOYSA-N 342.201 4.149 0 1 EIAF CCc1oc2c(C)c(OC(C)C)ccc2c(=O)c1Br 73198178 DLBQQLBHMGJZDP-UHFFFAOYSA-N 325.202 4.214 0 1 EIAF CCCCCn1c(-c2ccc(C)o2)nc2c(NCC3CC3)ncnc21 82181136 XSVNDLLEOAGZAX-UHFFFAOYSA-N 339.443 4.407 0 1 EIAF Cc1ccn2c(C(=O)NCc3ccccc3)c(-c3ccccc3)nc2c1 95563192 WWICBPOCFFKZAL-UHFFFAOYSA-N 341.414 4.240 0 1 EIAF C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O 95910135 WUUOACSBQPHDQM-DYLQCGAMSA-N 332.440 4.113 0 1 EIAF biogenic,in-vitro CCOC(=O)C1=CN(Cc2ccccc2OC)C=C[C@H]1c1ccccc1 103081421 PQEIVFZLHZEALO-IBGZPJMESA-N 349.430 4.255 0 1 EIAF C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(OC(=O)c3ccccc3)c1)C2 137957944 MEXFRROJEZVINA-XWFZLUIHSA-N 335.447 4.420 0 1 EIAF CN1C(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]21 299821163 XOYNUZJTUOIOLH-VHRKQUMOSA-N 331.500 4.009 0 1 EIAF COC(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 586964276 WOVZEIJAGZILBZ-LBPRGKRZSA-N 326.421 4.344 0 1 EIAF COc1cccc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 586977496 PTQBLDCEMSRZMP-UHFFFAOYSA-N 331.213 4.233 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ccnc(F)c3)nc3ccc(O)c1c23 586988942 TUMJAWULKZTXJJ-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF C[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc(Cl)cn1 587080457 VNYZBJCAXCTMFN-LURJTMIESA-N 332.688 4.180 0 1 EIAF COC(=O)CCc1c(-c2ccc(OC)cc2)nc2cccc3c2c1CC3 587213079 FWSYPBGZHWWUFV-UHFFFAOYSA-N 347.414 4.115 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)ccnc1Cl)O2 587378687 DEWHWYCUDREZKC-MRXNPFEDSA-N 337.206 4.160 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1F)O2 587381143 GSWJOPLAUFINQQ-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1C(F)(F)F)O2 587381751 LCOFMTAZNHMAQE-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1c(F)cccc1Cl)O2 587382076 NXFJKGOSIWQDQP-NSHDSACASA-N 333.790 4.336 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1O)O2 587405980 ZNISDWWTTFBFSF-SFHVURJKSA-N 325.408 4.287 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(C1CC1)[C@@H](C2)C3=O 587446154 UUIFAPLJGSJOAU-AVRDEDQJSA-N 334.415 4.143 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CCC)C(=O)OCC)CC2=O 587478399 FXSHSQTVNBCQLV-FOIQADDNSA-N 348.439 4.048 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(C)nc(C)cc2[nH]1 587928199 XXSKCJJNERUPIB-AWEZNQCLSA-N 325.412 4.134 0 1 EIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2ccc(F)cc2)N1c1ccc2nc[nH]c2c1 1772580017 GFCRVUPHSAFWTR-SQGPQFPESA-N 345.377 4.148 0 1 EIAF C[C@]12C[C@H](c3ccoc3)OC[C@@H]1CC[C@]13COC(=O)[C@@H]1CCC[C@H]23 2356374648 AYCMMSGIYHDUSS-VEXWFWOFSA-N 330.424 4.117 0 1 EIAF CC(=O)c1cc(-c2ccccc2-c2ccccc2)c(=O)n2c1CCC2 203461087 BWFUCFGVDOLROW-UHFFFAOYSA-N 329.399 4.331 0 3 EIAF C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 21228 AGWBMRMDTWHPJM-BFUOFWGJSA-N 328.843 4.076 0 1 EIAF NCCc1c[nH]c(CCCCC(c2ccccc2)c2ccccc2)n1 13531769 CKMBGNSZMPWQNH-UHFFFAOYSA-N 333.479 4.456 0 1 EIAF O=C(CCCCC(=O)c1ncc(-c2ccccn2)o1)Nc1ccccc1 14980089 IJANKEVONHQJMK-UHFFFAOYSA-N 349.390 4.118 0 1 EIAF CSCSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28114179 WWCOUQDEXRRTEL-JSXDWQNJSA-N 330.515 4.035 0 1 EIAF CC1=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C(C)C)CC1 33844039 DIJWSVXPJDGEIA-ZDUSSCGKSA-N 332.360 4.283 0 1 EIAF biogenic CCOc1cccc(-c2cc(NCc3ccccc3OC)ncn2)c1 82161572 WQEHVKXWTAHZME-UHFFFAOYSA-N 335.407 4.163 0 1 EIAF CCC[C@@]1(C(=O)NCCc2csc(Cl)c2)CC1(Cl)Cl 103272417 VXOGEOLUFFLKJI-LBPRGKRZSA-N 340.703 4.424 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC2CCCC2)N3C)cc1 253641124 PSQGGMTYCHMOPL-GTAWCEEGSA-N 327.468 4.047 0 1 EIAF CN(CCCN1CCc2c([nH]c3ccccc23)C1)Cc1ccccc1 299819385 CEFYRHKEFRHEIC-UHFFFAOYSA-N 333.479 4.048 0 1 EIAF Cc1ccc2[nH]c(-c3c(-c4ccc(F)cc4)nc4ncccn34)nc2c1 473152170 SIJRJPOXKRYVIP-UHFFFAOYSA-N 343.365 4.387 0 1 EIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2cccc(O)c2n1 474609331 PNQMIZKLIKJROO-UHFFFAOYSA-N 332.281 4.212 0 1 EIAF Cc1ccc2c(ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c32)n1 586908066 QDDVFNMSHRGDNR-LBPRGKRZSA-N 331.375 4.000 0 1 EIAF c1ccc(CN2C[C@H]3CCc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 587211836 IQXSYOCMFQWNGZ-NQIIRXRSSA-N 340.470 4.495 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)c1 587233264 LOYQWFGSDXVXKU-UHFFFAOYSA-N 329.407 4.103 0 1 EIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccccc1 587657429 WQYDFDJGSPQCEZ-UHFFFAOYSA-N 348.352 4.390 0 1 EIAF COC(=O)c1cc2[nH]c(/C=C(\C)C3CCCCC3)nc2cc1OC 587967162 IEHNHGGNTLVTGA-FMIVXFBMSA-N 328.412 4.342 0 1 EIAF O=C(COc1cc(=O)oc2ccccc12)c1ccc2ccccc2c1 653811139 VLBPQSZKFVICAD-UHFFFAOYSA-N 330.339 4.208 0 1 EIAF C/C=C(/NNc1ccc(F)cc1)c1ccc(Br)cc1O 957654213 MGTQHTNLWQQLFV-JLZUIIAYSA-N 337.192 4.271 0 1 EIAF COc1ccc(-c2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1 1857633290 FRLWKRTYJSBBOB-UHFFFAOYSA-N 333.387 4.154 0 1 EIAF CC(=O)Oc1ccc(C=CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 2356587138 ZOEUHNIOVXZVKT-PLMTUMEDSA-N 342.435 4.383 0 1 EIAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]4(C)O 2356599077 MQXZRJIHBYXBLW-CAYFNDFTSA-N 334.500 4.466 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@@H](O)[C@H]1CCCCCCC(=O)O 2356711969 HYBPXYQCXNOTFK-YDZRNGNQSA-N 340.504 4.296 0 1 EIAF CCOC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O 5886230 JJHIYZLWSIGWDT-UHFFFAOYSA-N 342.439 4.022 0 1 EIAF CCNc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 27818562 ORXIKTZORNTFFW-UHFFFAOYSA-N 327.391 4.186 0 1 EIAF Cc1ccc2c(N3CCN(CCc4ccc(F)cc4)CC3)cccc2n1 53243986 UMEGGDIDNHMEOC-UHFFFAOYSA-N 349.453 4.047 0 1 EIAF C[C@@H](Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1 72124992 NDVHKKMBFMZILW-INIZCTEOSA-N 343.434 4.242 0 1 EIAF CO[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84687305 IHCJACOFOOQWQV-JHSHEYHPSA-N 348.527 4.364 0 1 EIAF O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1CN1CCCCC1 103267788 HKJUAVMSGYJMQM-PWRODBHTSA-N 335.447 4.170 0 1 EIAF CC(C)(C)C(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169342430 SHHWJFWQYLCSAZ-KPAOVDTCSA-N 345.508 4.204 0 1 EIAF c1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1 208043203 UUCHZVXLNVRFIC-UHFFFAOYSA-N 347.462 4.036 0 1 EIAF COC(=O)Nc1nc2cc(Sc3c[nH]c4ccccc34)ccc2[nH]1 299824121 KPQBQHAJJTXPFC-UHFFFAOYSA-N 338.392 4.374 0 1 EIAF CCCCCCNCCCCCCN(CCCCCC)[N+](=O)NO 377591695 MMUHOHANAMNTRU-UHFFFAOYSA-N 345.552 4.187 0 1 EIAF Clc1cnc(Br)c(-c2nc3cccc(Cl)c3[nH]2)n1 587005490 JUCFINIVVVGEFK-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF CCOC(=O)[C@H](F)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103213 HZWVAYNZYCOFQC-GOSISDBHSA-N 335.334 4.020 0 1 EIAF COc1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229928 MNSJWMSZFVUZRJ-UHFFFAOYSA-N 330.391 4.246 0 1 EIAF CCc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587232733 BDNJVMNLAIPVSG-KBPBESRZSA-N 329.444 4.286 0 1 EIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cnccc2[nH]1 587247160 ILXHYSWCZVFIIS-UHFFFAOYSA-N 330.391 4.373 0 1 EIAF Cc1ccc([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587394031 PQPMASLNHZSNIH-JOCHJYFZSA-N 344.414 4.190 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(C)C)c1)O2 587399787 KCEZNDIJHQQAPJ-IBGZPJMESA-N 325.408 4.319 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1ccnc1)CC2=O 587469323 CQTKEVCCCOJWGT-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF O=C1C[C@H](c2ccc(F)c(F)c2O)Oc2c1ccc1c2CCCC1 587509311 YTNSAGFFLFVFIS-MRXNPFEDSA-N 330.330 4.256 0 1 EIAF CCO[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCC2 587522498 IHMOHEKCHPFEPA-GHTZIAJQSA-N 326.436 4.249 0 1 EIAF O=C1C[C@H](c2ccc(-c3nnco3)cc2)Oc2c1ccc1c2CCCC1 587526532 QBCUPTCACNEOND-LJQANCHMSA-N 346.386 4.322 0 1 EIAF N=c1[nH]n(C2CCCC2)cc1-c1nc(-c2ccc(F)c(F)c2)cs1 587921855 CKMWGVFUNDYDTJ-UHFFFAOYSA-N 346.406 4.479 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587952364 POIMIZDORUVHCH-YCCRMZCTSA-N 330.432 4.333 0 1 EIAF COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)c1 13123513 QVCMTXIFKCARDG-IRXDYDNUSA-N 340.814 4.086 0 3 EIAF COc1cc2c(cc1C)C(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)CC[C@]21C 12153864 SAYFFKOYQFYZOH-QKNQBKEWSA-N 344.451 4.216 0 1 EIAF biogenic Clc1ccc2c(c1)C(NCCc1ccccn1)=Nc1cccnc1N2 13492097 YJMYAURKALPGQP-UHFFFAOYSA-N 349.825 4.098 0 1 EIAF COc1cc2ccnc(C(=O)c3ccccc3Cl)c2cc1OC 26667309 YGGQLPTVEKQQRY-UHFFFAOYSA-N 327.767 4.136 0 1 EIAF c1ccc(CCCSc2nsnc2[C@@H]2CN3CCC2CC3)cc1 26732707 SVAVYRNWONVTRG-MRXNPFEDSA-N 345.537 4.072 0 1 EIAF Cc1nc(N)nc2c1c(CCc1ccccc1)cn2Cc1ccccc1 28701736 PMTTYOQPPLUWQK-UHFFFAOYSA-N 342.446 4.155 0 1 EIAF Clc1ccccc1Oc1cc(N2CCc3ccccc3C2)ncn1 37376462 HGJFFJPKDUVECM-UHFFFAOYSA-N 337.810 4.485 0 1 EIAF CCCOC(=O)c1ccc(F)cc1NC(=O)c1ccccc1Cl 40878836 JWWFFWBYVOKQFK-UHFFFAOYSA-N 335.762 4.298 0 1 EIAF O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1 63298338 IZAVTOABECKIDH-UHFFFAOYSA-N 327.387 4.160 0 1 EIAF COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 64548518 BNCNMAFRBQEDAY-UHFFFAOYSA-N 343.382 4.092 0 1 EIAF CCCCCCC(=O)N[C@H](c1cccc2ccccc12)P(=O)(O)O 71334508 SUUYUYRUIANEGM-SFHVURJKSA-N 349.367 4.103 0 1 EIAF COc1cc([C@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1O 84689926 HURADEYJNCKBFN-AWEZNQCLSA-N 341.451 4.118 0 1 EIAF Cn1nc(-c2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc21 84731943 ZBJAHJXITIJPRG-UHFFFAOYSA-N 335.798 4.427 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2C(=O)Oc2ccccc2)N3C)cc1 100751776 HIQHQNWJRSNELD-CWJKEVGVSA-N 335.447 4.167 0 1 EIAF CSc1nc(Nc2ccc(C(C)=O)cc2)cc(C(F)(F)F)n1 101297418 PGKDMEQSBXDSLW-UHFFFAOYSA-N 327.331 4.164 0 1 EIAF Cc1ccc(NC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1 102909687 QVYFBFVOINQVSX-UHFFFAOYSA-N 342.349 4.023 0 1 EIAF COc1ccc(C(=O)[C@H](c2ccccc2)c2ccccn2)cc1OC 169333198 RCWMXDIHZVSBNH-HXUWFJFHSA-N 333.387 4.114 0 1 EIAF Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)[C@H]1C(=O)CC(C)(C)CC1=N2 169688412 ORWBGBAPILBMJS-IAGOWNOFSA-N 325.387 4.081 0 1 EIAF Cc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1 169700017 DBMYDXZBGMGPNE-UHFFFAOYSA-N 342.402 4.236 0 1 EIAF Cc1cc(OCCCN2C[C@@H](C)C[C@H](C)C2)nc(-c2ccccc2)n1 299831188 IYMJEFOSJKFKDF-IRXDYDNUSA-N 339.483 4.199 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(SC)cc2[nH]1 586962707 GSTFHMAUHRKWJA-ZDUSSCGKSA-N 346.481 4.332 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 587125194 QUELUNWVFYNDJR-RNCFNFMXSA-N 335.333 4.042 0 1 EIAF COc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c(F)c1 587149542 UVBYFARPTOYFGB-UHFFFAOYSA-N 326.158 4.003 0 1 EIAF Cc1cc(Br)cnc1-c1cc2c3c(cccc3n1)CC2 587207502 FTDKCQUMFMQXTG-UHFFFAOYSA-N 325.209 4.466 0 1 EIAF Cc1c(Br)cncc1Cc1cnc2cccc3c2c1CC3 587208295 ONLOVTZPZLIAGK-UHFFFAOYSA-N 339.236 4.390 0 1 EIAF O[C@@](Cc1cc2c3c(cccc3n1)CC2)(c1ccccc1)C(F)(F)F 587210182 IMHGBGKPXNKGFT-IBGZPJMESA-N 343.348 4.326 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587242846 VEBHDJKGVLTWPD-UHFFFAOYSA-N 334.206 4.419 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1C(F)(F)F)O2 587382839 SXJOTVDCZJZZBR-CQSZACIVSA-N 339.288 4.442 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1ccnc1)CC2=O 587469324 CQTKEVCCCOJWGT-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](C[C@@H](C)C(=O)OC(C)(C)C)CC2=O 587482795 JLCMCSICGAOJFG-CHWSQXEVSA-N 348.439 4.046 0 1 EIAF COc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521128 AONPRBMPWPERKI-QFIPXVFZSA-N 334.415 4.381 0 1 EIAF CCC[C@@]1([C@H](C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587522799 HSZMPCLQMQGQQY-SZNDQCEHSA-N 344.451 4.269 0 1 EIAF CNc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582328 ZSAMVVCPXQTTKM-GHTZIAJQSA-N 347.370 4.137 0 1 EIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601540 SSSRKFMRLQQZAX-RXVVDRJESA-N 348.354 4.104 0 1 EIAF Cc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1C 587920085 DFRVPOYHMQOWBO-UHFFFAOYSA-N 333.420 4.070 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587937238 OUEUFMKPELTNJA-BFUOFWGJSA-N 340.423 4.196 0 1 EIAF Fc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c(F)c1F 587949966 GRVVECSIXWGLSN-UHFFFAOYSA-N 336.357 4.466 0 1 EIAF C[C@H](C[C@@H]1c2c(F)cccc2C[C@H]2CCCN21)C(=O)OC(C)(C)C 963092953 BGANUWUAUJGASO-FRFSOERESA-N 333.447 4.255 0 1 EIAF COc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc(F)c1OC 963099264 JJWCKTFPHBSSFA-DNVCBOLYSA-N 345.389 4.092 0 1 EIAF COc1ccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963108702 XXWFQIQQEPJOKR-RXVVDRJESA-N 325.427 4.427 0 1 EIAF Cc1ccc(C)c([C@]2(c3ncccc3C)NCCc3ccc(O)cc32)c1 963329643 QEFWRABJVCNTQQ-QHCPKHFHSA-N 344.458 4.150 0 1 EIAF CCCCC(=O)Oc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2 1857745152 IXKAEWHJASDDSO-VRHCTWJESA-N 330.424 4.195 0 1 EIAF CC[C@]12C(=Nc3c(Cl)cccc31)C[C@@H]1CCN3C(=O)CCC[C@H]2[C@H]13 36383136 FBRUTAYFHGJOEY-DRVXKRDMSA-N 342.870 4.495 0 3 EIAF Cc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccccc3C)cn2)cc1 74387620 COCALUKMNWQDHM-UHFFFAOYSA-N 347.462 4.218 0 3 EIAF CC(=O)Nc1cccc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13679238 IJTBMFYXAKZFBZ-UHFFFAOYSA-N 338.798 4.499 0 1 EIAF Cc1cccc(-c2noc3c(Cl)c(OCC(=O)O)ccc23)c1C 27438220 ZNJOVJITZSVBFY-UHFFFAOYSA-N 331.755 4.228 0 1 EIAF Cc1ccc(OC(=O)[C@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(C)cc2)N3C)cc1 36271749 FGXZPRXFLNGHFB-RYFAJOAYSA-N 349.474 4.475 0 1 EIAF CCCCC[C@H]1O[C@@H]1/C=C/[C@H](O)C/C=C\C/C=C\CCCC(=O)O 40164457 WLMZMBKVRPUYIG-VEQBNNKOSA-N 336.472 4.399 0 1 EIAF in-man Fc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12 66074452 LVLJJMDKBNKYIH-UHFFFAOYSA-N 346.325 4.044 0 1 EIAF C[C@@H](C(=O)OCCn1ccnc1)c1ccc(-c2ccccc2)c(F)c1 72179058 ORDBHILBCJYXSV-OAHLLOKOSA-N 338.382 4.036 0 1 EIAF COc1ccc(-c2nnc(SCc3cccc(C)c3)o2)c(O)c1 84586651 QUIJIGZFRIXOHW-UHFFFAOYSA-N 328.393 4.052 0 1 EIAF CN(C)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3o2)cc1 96933907 LWQWJAOTIDSIGT-UHFFFAOYSA-N 342.826 4.125 0 1 EIAF O=Nc1c([C@H]2C(=O)Nc3ccc(Cl)cc32)[nH]c2ccc(O)cc12 169723356 ALCPERSBUYTUCA-ZDUSSCGKSA-N 327.727 4.009 0 1 EIAF CC(=O)OC[C@]1(C)[C@H]2CC[C@]34C[C@@H]5[C@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@]5(C)C4 238733636 ZPBBRJYUYLDTJN-BCWGUCHYSA-N 346.511 4.179 0 1 EIAF Cc1ccsc1[C@@H]1C[C@H](O)Cc2cc(OC(F)(F)F)ccc2N1 299831664 PZWZYTAOXXYTBM-RISCZKNCSA-N 343.370 4.415 0 1 EIAF CCc1c(C(=O)NCCc2cccc(O)c2)[nH]c2ccc(Cl)cc12 299869198 UFLLNLMDBQIUTH-UHFFFAOYSA-N 342.826 4.062 0 1 EIAF Brc1ccnc2[nH]c(CCc3cc4ccccc4o3)nc12 586903177 GLMIRKBTDLBQOJ-UHFFFAOYSA-N 342.196 4.252 0 1 EIAF COC(=O)c1cccc2nc(CCSCc3ccc(C)cc3)[nH]c12 586970517 GCAFIJNLQHWDEY-UHFFFAOYSA-N 340.448 4.134 0 1 EIAF Cc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986589 NQOKVGJCBLWIBC-UHFFFAOYSA-N 329.277 4.479 0 1 EIAF CCc1cc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1Cl 587052486 CCXYMSQKXQKXHS-UHFFFAOYSA-N 348.761 4.195 0 1 EIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(Cl)c2[nH]1 587116122 ORJCTLGVUXZVFT-UHFFFAOYSA-N 335.116 4.289 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587170124 JHASWYGNOUJFCX-MGPLVRAMSA-N 344.415 4.322 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O 587437998 KHIQHCNPSXPTOA-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF CCc1noc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527770 UPNVAJGTTLVBDL-FQEVSTJZSA-N 325.408 4.305 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1 587570928 MUCYDBAGIMUSJW-YLJYHZDGSA-N 336.318 4.234 0 1 EIAF Cc1ccncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587775931 VAWRBGRPXWFXLQ-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCC(C)(C)O2)N1 587831627 IHXSNIFHOLXPID-ZWZTZDBGSA-N 342.252 4.121 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3ccnc(Br)c3[nH]2)c1 587931312 NKTLNGLJCQYWSM-JTQLQIEISA-N 346.228 4.075 0 1 EIAF C[C@@]1(c2ncn3ccccc23)c2ccsc2CCN1Cc1ccco1 962710480 LMNJBMHVLQLKIT-FQEVSTJZSA-N 349.459 4.311 0 1 EIAF CC(C)(C)CO[C@H]1OC(=O)C(Cl)=C1Nc1ccc(Cl)cc1 1857769214 YURYAKCSAAMEBX-AWEZNQCLSA-N 330.211 4.148 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CNC(C)=C2CC[C@H]34)C1 2356484940 MWTHHJZKMUONAM-JERCCFLKSA-N 326.528 4.395 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@H](C)[C@]21C 2356741850 WXXUTDJJIXJPLZ-GOYGXENFSA-N 330.424 4.316 0 1 EIAF CC(=CCC[C@H](C)[C@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21)CO 2356753899 NXCRMGUYKIJISM-OFQRWUPVSA-N 332.440 4.426 0 1 EIAF COc1ccccc1NC(=O)N(Cc1ccccc1)c1ccccn1 4058077 RZLFPIFZSOGVCH-UHFFFAOYSA-N 333.391 4.329 0 3 EIAF COc1c(C(C)C)ccc2c1CC[C@@H]1C3=C(CC[C@]21C)C(=O)OC3 1572119 JQYCSQASGZODFD-WIYYLYMNSA-N 326.436 4.286 0 1 EIAF biogenic C[C@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 13833048 LVVHEFJXPXAUDD-MTNREXPMSA-N 345.527 4.323 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccncc2)s1 14952143 ARPNQDUWOKVMLY-UHFFFAOYSA-N 344.827 4.496 0 1 EIAF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccccc1Br 34817138 XOGCQIBZNUHNHA-MLGOLLRUSA-N 348.627 4.480 0 1 EIAF CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 35824879 RDLDWTPNWMTWKO-FQEVSTJZSA-N 336.479 4.090 0 1 EIAF O=S(=O)(Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1 36338564 KLBVGFXEGSFHOZ-UHFFFAOYSA-N 349.415 4.031 0 1 EIAF O=C1C(=O)N(Cc2ccccc2Cl)c2c(Cl)ccc(Cl)c21 40875842 OYVQAAZWIJXRHR-UHFFFAOYSA-N 340.593 4.376 0 1 EIAF COc1ccc2c(c1)[C@@H](CCNC(C)=O)[C@H](Cc1ccccc1)CC2 40916751 JRFAYRRRAZMFGT-FPOVZHCZSA-N 337.463 4.110 0 1 EIAF CCCCc1ccc(-c2cc(N[C@@H](C)CC(=O)OCC)ncn2)cc1 82160231 FSSACYLVBNTKOJ-HNNXBMFYSA-N 341.455 4.240 0 1 EIAF COc1cc(CNc2cc(-c3cccc(C)c3)ncn2)cc(OC)c1 82162249 ZHRLMCYCRXUVEA-UHFFFAOYSA-N 335.407 4.081 0 1 EIAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 82177930 NEMNPDAHBZVUPG-AWEZNQCLSA-N 338.459 4.002 0 1 EIAF O=C(O)C[C@H](/C=C/CCCCCCCC[C@@H]1C=C(CO)CC1)CO 85489249 KFPSXIUIQQIXCJ-RWSYTZSNSA-N 338.488 4.075 0 1 EIAF biogenic,in-vitro COc1ccc(N2C=C(c3ccccc3)[C@H]3C(Cl)=NC=N[C@@H]32)cc1 98084641 GLTUZRFWHMGGER-PKOBYXMFSA-N 337.810 4.178 0 1 EIAF O=C1O/C(=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)c2ccccc21 586905845 FASPVWLDNYIWSE-RIYZIHGNSA-N 330.265 4.250 0 1 EIAF Cc1nn(-c2cccc(-c3nc4c(C)nccc4[nH]3)c2)c(C)c1Cl 587065579 SOHLILOFKXDNBS-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF Cc1cccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587124000 KDFUDXBQRXDXJL-SKDRFNHKSA-N 335.333 4.042 0 1 EIAF Fc1cc(Cc2nc3nc(Cl)c[nH]c-3n2)ccc1-c1ccccc1 587144845 CZEJZVOCTZARGM-UHFFFAOYSA-N 338.773 4.355 0 1 EIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cncc(Br)c3[nH]2)c1 587162617 XQKSUYZDZNTCIF-QWRGUYRKSA-N 332.176 4.131 0 1 EIAF O=C1c2ccccc2-c2cc(CC(=O)C3CCC3)nc3cccc1c23 587206306 CJANARYZQXIYPU-UHFFFAOYSA-N 327.383 4.358 0 1 EIAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587250369 NLRDQNVFICWWBR-UHFFFAOYSA-N 327.693 4.190 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3[nH]cc(Cl)c13)O2 587378624 CYBXNNISNQBRQH-INIZCTEOSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(F)c3)nc1)O2 587383356 AZEYFQBDKHZJFE-FQEVSTJZSA-N 348.377 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cc(O)ccn3)c1)O2 587394639 XJYASSKYQGVBJH-HXUWFJFHSA-N 346.386 4.051 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(C)ccn1)CC2=O 587490581 YOFAUGPYGHWGFQ-HXUWFJFHSA-N 325.408 4.015 0 1 EIAF O=C1C[C@H](c2c[nH]c3cccc(O)c23)Oc2c1ccc1c2CCCC1 587521083 AHGGYULDJVDVEQ-LJQANCHMSA-N 333.387 4.459 0 1 EIAF Cc1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 587565518 KUKABCKRDUCANH-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(C)Oc3cc(N)ccc32)N1 962944925 GEZWJHTYIQOHCV-OYHNWAKOSA-N 345.446 4.214 0 1 EIAF CN1CCc2c(sc3ncnc(Nc4cccc(Cl)c4)c23)C1 1857570430 CANBRIJKYJAQHI-UHFFFAOYSA-N 330.844 4.076 0 1 EIAF CCN1CCc2c(sc3nc(-c4cc(C)cc(C)c4)nc(O)c23)C1 1857617749 ANKCWWBNSJVLQY-UHFFFAOYSA-N 339.464 4.059 0 1 EIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(CC3CC3)C[C@H]2C1 29127892 SMDURVDNVKUIAT-GGAORHGYSA-N 336.523 4.070 0 1 EIAF CCOC(=O)c1cc2c([nH]c3ccccc32)c(C)[n+]1Cc1ccccc1 49808553 UMPZPSRZPJUAAR-UHFFFAOYSA-O 345.422 4.142 0 1 EIAF C/C=C(/C)C(=O)OCc1c(C(C)=O)c(O)c(OC)c2c1[C@@H](C)CC=C2 66259866 QCIYZQPUFWEBMV-DSDFTUOUSA-N 344.407 4.133 0 1 EIAF CC1CCC(NC(=O)c2cccnc2OCc2ccc(F)cc2)CC1 103266707 VEDDWTIIBHBHQV-UHFFFAOYSA-N 342.414 4.108 0 1 EIAF CC[C@H]1O[C@@H]2c3sccc3CO[C@@H]2[C@H]1OCc1ccccc1F 103280280 CBYRDSDWIJRCFQ-TWMKSMIVSA-N 334.412 4.221 0 1 EIAF O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O 113185876 ZNPREQSETWFCPD-UHFFFAOYSA-N 333.668 4.456 0 1 EIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@](C)([C@H]4COC(=O)O4)C=C3CC[C@@H]12 238737810 BGSJFVGLRGGPJP-KPARWEMLSA-N 348.483 4.462 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586893528 ZXRRWKWYHHRKIN-IINYFYTJSA-N 335.329 4.122 0 1 EIAF Oc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc2c1CCCC2 586897442 FNBNTJRRIGQICJ-UHFFFAOYSA-N 333.313 4.228 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 586908821 DIPNNCKAOAKSKK-JOYOIKCWSA-N 327.197 4.137 0 1 EIAF CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 586908822 DIPNNCKAOAKSKK-SKDRFNHKSA-N 327.197 4.137 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587041348 BIDNAPYBBDOHDS-LBPRGKRZSA-N 346.253 4.418 0 1 EIAF COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587066244 LFUFNFFLGCFCTJ-UHFFFAOYSA-N 338.697 4.213 0 1 EIAF COC(=O)C(C)(C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097261 KDFBOEBYWWQIMT-UHFFFAOYSA-N 345.398 4.205 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1F)(C(C)C)[C@@H](C2)C3=O 587425582 FJVKSJAGGYQFFZ-MGPUTAFESA-N 344.357 4.272 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3c(C)cccc31)CC2=O 587483621 LFTPOUXZSNIURG-OAQYLSRUSA-N 337.419 4.329 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)C12CCCC2 587488756 LXLVOQFMGXKHEP-NQIIRXRSSA-N 344.451 4.418 0 1 EIAF CCO[C@H](C)n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517086 GPZBUQJHFPKDHG-YJYMSZOUSA-N 340.423 4.023 0 1 EIAF O=C1C[C@H](c2[nH]nnc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587527727 WEUVYWZYFHQGOD-GOSISDBHSA-N 345.402 4.057 0 1 EIAF CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cn1 587629384 NIEFPJCYSJEEMR-UHFFFAOYSA-N 341.720 4.292 0 1 EIAF Clc1cccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)c1 587920033 AOYMTKMRDNJDAA-UHFFFAOYSA-N 339.811 4.106 0 1 EIAF CCCn1cc([C@H]2NCCc3c2sc(C)c3C)c(C(F)(F)F)n1 963014897 VQZLMLLIRITKIW-CYBMUJFWSA-N 343.418 4.225 0 1 EIAF CCOc1cc2c(cc1O)CCC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13809103 YKWFKECYXRUOES-PVHGPHFFSA-N 330.468 4.398 0 1 EIAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@H](C)[C@H]2C)ccc1O 14726802 YHPHTNNPOSLWIM-XXRNEEKGSA-N 328.408 4.075 0 1 EIAF biogenic Oc1noc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1 28635318 JANXKKALWNYMDP-UHFFFAOYSA-N 326.421 4.243 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cc(Cl)ccc21 28964620 SBVPKBZNKRFVGA-OAHLLOKOSA-N 326.787 4.025 0 1 EIAF C[C@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 29204556 UZQLDBWLAOCBOO-KIJMRWFMSA-N 345.748 4.421 0 1 EIAF CC1CCN(c2ccc(N)cc2C(=O)c2ccccc2Cl)CC1 29325065 QDPCXRWZMNZAAP-UHFFFAOYSA-N 328.843 4.390 0 1 EIAF CCn1c2ccncc2c2cc(NC(=O)c3ccc(OC)cc3)ccc21 40829105 VVEINGIMRMHBGR-UHFFFAOYSA-N 345.402 4.470 0 1 EIAF COc1ccc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)[nH]c2c1 40829161 FITGBLGSILDAFO-CHHVJCJISA-N 338.388 4.211 0 1 EIAF COc1cc(O)c(C(=O)/C=C/c2ccccc2)cc1Br 44603002 AEBISWFQNVUNFK-BQYQJAHWSA-N 333.181 4.059 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OC3CCCCC3)c(Cl)c2)S1 72109225 DKEZSRKQXRFEHX-ZROIWOOFSA-N 337.828 4.375 0 1 EIAF COc1ccc(-c2nc(CN[C@H](C)CCc3ccccc3)co2)cc1 72182269 HMBDCMYJNXHFID-MRXNPFEDSA-N 336.435 4.461 0 1 EIAF C=CC1=C(C(=O)NCc2ccc(C)cc2)[C@@H](c2ccc(F)cc2)OC1 73223805 JXLCPKHFVVOOIL-HXUWFJFHSA-N 337.394 4.004 0 1 EIAF COc1cc2snc(-c3ccc(NC(C)C)nc3)c2cc1OC 95573737 UQBKKGUCWHANNG-UHFFFAOYSA-N 329.425 4.196 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C[C@@]43C)[C@@H]1CC=C2n1ccnc1 169208364 XYNQXASHVSDJLI-XVYLQWLCSA-N 326.484 4.347 0 1 EIAF C[C@@H]1CCCC[C@@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 195407802 PKBWVJIIQVNWAZ-JLHGSKIFSA-N 345.527 4.202 0 1 EIAF Cc1c(O)nc(N2CCC[C@H](C)C2)nc1[C@H](C)c1c(F)cccc1F 253658918 BYCKKLNCIFUEKA-NWDGAFQWSA-N 347.409 4.157 0 1 EIAF CCC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@H]1C 299849203 XNWQSVHEOZCJHE-HNKPZJSLSA-N 349.474 4.184 0 1 EIAF CCOC(=O)Cc1ccc2nc(CSCc3ccsc3)[nH]c2c1 587025939 PPMWKQPXEBIECD-UHFFFAOYSA-N 346.477 4.163 0 1 EIAF Cc1ccc(C)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 587081921 YCSIWQHLHWFGOG-UHFFFAOYSA-N 327.815 4.434 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(N)=O)c2[nH]1 587114228 RKOCRJPJLIUJIU-JTQLQIEISA-N 347.340 4.027 0 1 EIAF Cc1c(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F 587132968 MUYCQVFYTPFBNB-UHFFFAOYSA-N 339.139 4.285 0 1 EIAF Cc1c(C2=NCCS2)nc2cccc3c2c1-c1ccccc1C3=O 587207210 CQVMEKGVQZYPAO-UHFFFAOYSA-N 330.412 4.248 0 1 EIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587240301 SGQHHVPDSRIYED-UHFFFAOYSA-N 335.194 4.336 0 1 EIAF Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)c1coc2ccccc12 587281002 NOOZWDDOPDXYNP-UHFFFAOYSA-N 342.704 4.493 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3F)no1)O2 587386188 TZQNECDPYVVYAT-QGZVFWFLSA-N 338.338 4.078 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(c3ccc(O)cc3)CC1)O2 587403621 JTCVZNIJQMYSTC-UHFFFAOYSA-N 337.419 4.345 0 1 EIAF C[C@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587498723 JWWCCYGOFIKWDL-CQSZACIVSA-N 334.284 4.487 0 1 EIAF C[C@]1([C@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600679 BRSWVCSJJUYLIX-UEOXNQQCSA-N 348.398 4.325 0 1 EIAF Cc1cccnc1-c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623206 AJPXUOZLAUSDSA-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF Cc1[nH]c2cccc(F)c2c1C(=O)c1cc(Br)ccc1O 587632286 ITYWVGCLYKFKQN-UHFFFAOYSA-N 348.171 4.315 0 1 EIAF CCc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587768971 FJXKFIPUNHXGNQ-DYZYQPBXSA-N 349.247 4.169 0 1 EIAF COc1ccc(C=O)c(-c2nc3cc4ccccc4cc3[nH]2)c1OC 587787640 WPMPVGOPEYRYJI-UHFFFAOYSA-N 332.359 4.213 0 1 EIAF CSCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587842759 GCBFORVMKIARIU-OTYXRUKQSA-N 332.282 4.091 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@@H]1C 587865935 PWMNIODOSILONO-GWCFXTLKSA-N 338.329 4.264 0 1 EIAF O=C(CN1CCCc2ccccc21)n1nc2cc1Oc1ccc(F)cc1-2 587875815 NKQRFMZWLQBERO-UHFFFAOYSA-N 349.365 3.888 0 1 EIAF FC(F)(F)c1ncc2nc(C=C3C4CC5CC(C4)CC3C5)nc-2[nH]1 587965431 SMZUYLRHBAOWAX-UHFFFAOYSA-N 334.345 4.163 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cnn3ccccc23)N1 962962649 YGWNJIWDRORAFX-LHSJRXKWSA-N 330.435 4.003 0 1 EIAF O=C(O)[C@@H]1CCCCC[C@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963103595 FXWYYFAVHNSETJ-PIGZYNQJSA-N 342.266 4.389 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccn1-c1ccccc1 963633535 IQCRQJBBBFCYON-OYHNWAKOSA-N 348.446 4.118 0 1 EIAF COc1ccccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772599366 SDNNAYNQLACNRA-MRXNPFEDSA-N 341.338 4.096 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@]2(C)[C@H]1C 2356340833 ZDOYGSHCBQYFAX-CXNWZFPZSA-N 332.440 4.108 0 1 EIAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 2356468925 VSYFJHFESQENRE-RJUAVTQPSA-N 348.527 4.220 0 1 EIAF CC1(C)O[C@H](CCc2ccccc2)[C@@H]2C(=O)O[C@H](C(C)(C)C)C[C@H]2O1 2356700813 GOQCQYCRBQFACB-BDXSIMOUSA-N 346.467 4.117 0 1 EIAF COc1ccc2c3n(nc2c1)[C@H](C)CN=C3c1ccc(Cl)cc1 206061677 DKABVFSYUJJZKN-LLVKDONJSA-N 325.799 4.110 0 3 EIAF C[C@@]12CCC[C@@H]1[C@@H]1CCc3cc(OS(=O)(=O)O)ccc3[C@@H]1CC2 4095888 KFFRVXQLZSOXIX-MLHJIOFPSA-N 336.453 4.114 0 1 EIAF in-vitro CCCCC[C@H]1O[C@H]1/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 12496423 WLMZMBKVRPUYIG-BUWRLEMKSA-N 336.472 4.399 0 1 EIAF endogenous,in-man CC[C@@H]1CN(C)CC[C@@H]1CCC(=O)c1ccnc2ccc(OC)cc12 14684822 MPRQXZAUJGRFNI-CVEARBPZSA-N 340.467 4.184 0 1 EIAF biogenic COc1cc2c(c(O)c1CC=C(C)C)C(=O)c1c(O)cc(C)cc1C2 14815253 GSPCVTNYPNPCAF-UHFFFAOYSA-N 338.403 4.059 0 1 EIAF biogenic CC1=CCC[C@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@]12C(=O)O 14928245 PZNQZBUOZWQUJB-GODCRWGESA-N 332.440 4.113 0 1 EIAF biogenic O=C(O)c1cc(C(=O)O)c2c(-c3cccc4ccccc34)cccc2n1 26376759 XVSJOIPAYOWBBE-UHFFFAOYSA-N 343.338 4.451 0 1 EIAF CCOc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3CC2CC2)c1 28888248 QIDCJWKAZRISLR-UHFFFAOYSA-N 348.446 4.145 0 1 EIAF O=C1C(=O)N(CN(c2ccccc2)c2ccccc2)c2ccccc21 39189471 AUPCXEBKODCJAS-UHFFFAOYSA-N 328.371 4.012 0 1 EIAF CCCCC/C=C\C/C=C\C/C=C\[C@H](O)[C@H]1O[C@H]1CCCC(=O)O 96095305 RBULXUYPQCFJSA-CJSXLYMMSA-N 336.472 4.399 0 1 EIAF in-vitro O=C(O)c1ccccc1/C=C\c1nc2cccc(OC(F)(F)F)c2[nH]1 586878450 DMWSDHHGTCLPFP-HJWRWDBZSA-N 348.280 4.330 0 1 EIAF Cc1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 586905636 XFIXESLOOXXUAX-SECBINFHSA-N 338.741 4.433 0 1 EIAF O=[S@](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)CC1CC1 586959102 LGFQGGLSQWNQEX-QHCPKHFHSA-N 342.489 4.373 0 1 EIAF Oc1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159661 SAQBDSLNNUCSHK-UHFFFAOYSA-N 344.349 4.414 0 1 EIAF CC(=O)NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCC(C)CC1 587234475 NBIKHMADPQYDGO-UHFFFAOYSA-N 339.361 4.123 0 1 EIAF Nc1ccc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587252326 YCOZHIWMEBMBHC-ZZXKWVIFSA-N 349.619 4.126 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(Cl)ccc41)[C@@H](C2)C3=O 587424479 ZYDPMCWBQXLMJN-JXFKEZNVSA-N 340.806 4.328 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)cc1F)CC2=O 587467305 SCJIWFPEZRFMSE-QGZVFWFLSA-N 336.309 4.469 0 1 EIAF CC(C)([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCCCC1 587512370 CVTCKHRVGITCRF-LJQANCHMSA-N 327.468 4.164 0 1 EIAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)(C)C)n1 587517011 ZCMHATZVIKTFCI-SFHVURJKSA-N 338.451 4.303 0 1 EIAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587522177 GCOHCWZIVKBSBA-FQEVSTJZSA-N 338.403 4.376 0 1 EIAF CC1(C)[C@@H]2OCCC[C@@H]2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587534347 ZDQKTWWHIFZQIS-SCWSEQNSSA-N 326.436 4.104 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C)C(F)(F)F)N1 587708262 AGWVPKIWTPOOJG-QHMRUWFYSA-N 340.158 4.362 0 1 EIAF Oc1ccc([C@@H]2NN=C3c4ccccc4O[C@@H](c4ccccc4)[C@@H]32)cc1 653862725 GSQQJUAMMIUYRX-URVUXULASA-N 342.398 4.191 0 1 EIAF Nc1cc2c(cc1Cl)CC[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963094095 BKSNRELSPNDFJY-VBKZILBWSA-N 342.845 4.272 0 1 EIAF COc1ccc(F)cc1[C@@H]1C[C@H]1CNC1(c2ccccc2OC)CC1 1772593605 UTOZUXHROYLHEJ-GOEBONIOSA-N 341.426 4.225 0 1 EIAF O=C1O[C@@H](c2ccccc2)CN1Cc1cc(O)c(Cl)cc1Cl 1772607423 JRDMZVFOGVPJRO-OAHLLOKOSA-N 338.190 4.393 0 1 EIAF Clc1ccc2[nH]c3c(c2c1)CCN(c1nc2ncccc2s1)C3 1857556687 GVMKKZMBUWLVPP-UHFFFAOYSA-N 340.839 4.389 0 1 EIAF COc1c(C(C)C)cc(C=O)c2c1O[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C 2356569295 KSLAMLCCQWCCLH-SVFBPWRDSA-N 346.467 4.426 0 1 EIAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@@H]21 2356570008 VEZLMIBNVADFRK-QKLQHJQFSA-N 332.440 4.263 0 1 EIAF COC(=O)C1=CC=C[C@@H]2[C@](O)(CC[C@H](C)[C@@]2(C)CCc2ccoc2)C1 2356644250 YNSMEBFHPSTPJP-MEGFKASBSA-N 344.451 4.055 0 1 EIAF CN(C)c1cccc(Nc2nccc3c2cc(-c2cccnc2)n3C)c1 74387035 BZGHWHWUXQTSAP-UHFFFAOYSA-N 343.434 4.445 0 3 EIAF COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccsc3)n2c1 199372458 QQXQCDDWCQRHGM-UHFFFAOYSA-N 338.388 4.033 0 3 EIAF CCCN(C)c1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O 5883254 OHNWUOJIEMWYKF-UHFFFAOYSA-N 326.484 4.300 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc4occc4c(C)c3CC[C@]21O 14513246 CALDUYGLNFEUDP-ACRUOGEOSA-N 342.435 4.039 0 1 EIAF biogenic CC1CCN(c2ccc(N)cc2C(=O)c2cccc(Cl)c2)CC1 29337648 AZFAWQGWIOVRAD-UHFFFAOYSA-N 328.843 4.390 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CSC[C@]43CCC5=O)[C@@H]1CCC2=O 34059180 JRVVOLYDFLTFBD-DTQDHJKZSA-N 330.493 4.040 0 1 EIAF O=C(O)c1c(O)c(Cc2cccs2)nc2c3c(ccc12)CCCC3 35087210 DRQWEKMQLVAMMX-UHFFFAOYSA-N 339.416 4.170 0 1 EIAF Cn1c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(C(N)=O)cc21 36179305 KALQUSBHDLYSJF-UHFFFAOYSA-N 343.386 4.132 0 1 EIAF CSc1ccc(C2=C(c3ccoc3)C(=O)N3CCC[C@H]3C2)cc1 40938853 DVZWZPOVICOFPZ-HNNXBMFYSA-N 325.433 4.307 0 1 EIAF CC[C@H](C)C[C@@H](C)/C=C/CC[C@H](O)[C@H](Cc1ccc(O)cc1)NC 66097922 RNCWKUCWPBNWOH-FMXDUMDXSA-N 333.516 4.292 0 1 EIAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]12 72108191 AXHOVMQNTZNANR-BSEUJLJWSA-N 328.452 4.462 0 1 EIAF CN(CCCNc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1 82161049 UVHPJTBMSBMGBZ-UHFFFAOYSA-N 336.414 4.221 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@@H]3C[C@@]12C=C3C 104365367 OFNWUWHDGCNABD-FAWMDMTCSA-N 346.511 4.489 0 1 EIAF in-man Cc1cc(O)c2c(c1)Sc1c(c(=O)oc3cc(O)cc(C)c13)N2 201557904 UTPHJLRPCMSHGB-UHFFFAOYSA-N 327.361 4.029 0 1 EIAF Cc1nc2ccc(O)c3c2c(c1C1CCOCC1)-c1ccccc1C3=O 586990064 CKFFJCFTTGWYGH-UHFFFAOYSA-N 345.398 4.354 0 1 EIAF Fc1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1 587168268 DPYFGBDGJKTESZ-UHFFFAOYSA-N 339.139 4.183 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)nc1)[C@@H](C2)C3=O 587436972 WOTRKDWSKXYCOZ-HTAPYJJXSA-N 343.382 4.246 0 1 EIAF CCc1cccc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587438369 NXPFUCUMXXVQQQ-VFNWGFHPSA-N 333.387 4.228 0 1 EIAF O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 587638436 YAPJUUVKUWZVKW-UHFFFAOYSA-N 333.265 4.174 0 1 EIAF CC[C@@]1(Cc2nc3ccc(Cl)nc3[nH]2)CC(=O)c2ccccc2C1 587962708 ZFQCZRSDDTZNPF-IBGZPJMESA-N 339.826 4.379 0 1 EIAF CC(C)=CCC[C@@H](CCCC(C)=CCCC(=CCO)CO)C(=O)O 2356533973 VMPCSQZZXPUVEG-IBGZPJMESA-N 338.488 4.241 0 1 EIAF CC[C@@H](C)NC(=O)C=CC=CCCC=Cc1ccc2c(c1)OCO2 2356725230 AHEYHYFMDFGWEG-MRXNPFEDSA-N 327.424 4.236 0 1 EIAF O=C1Nc2ccc(Cl)cc2S[C@@H](c2ccc(Cl)cc2)[C@@H]1O 4178696 ISHUJCRNBARNHX-KBPBESRZSA-N 340.231 4.140 0 1 EIAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@H](c2ccccc2)O1 11687528 RFTRIPDMNMTLEZ-WOJBJXKFSA-N 337.423 4.024 0 1 EIAF CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1 13759953 NNXKPIFUBGDIBN-UHFFFAOYSA-N 327.476 4.475 0 1 EIAF O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2[nH]ncc12 14210663 GZIIXIISUZAIMS-UHFFFAOYSA-N 335.194 4.191 0 1 EIAF CCCCCNCC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 26503682 JHHGXPAXHMPAAB-DGFGQBJCSA-N 337.504 4.151 0 1 EIAF CN(C)[C@H]1CCC[C@H]1N(C(=O)C1CC1)c1ccc(Cl)c(Cl)c1 28234612 SQHRPYZOIIVCLJ-JKSUJKDBSA-N 341.282 4.219 0 1 EIAF NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccccc1 28959747 OBJHDFMKQVUEBP-UHFFFAOYSA-N 340.386 4.139 0 1 EIAF CCCCC/C=C/C/C=C/C/C=C/C[C@H](O)[C@@H](O)CCCC(=O)O 33822362 GFNYAPAJUNPMGH-ZEUFVYBQSA-N 338.488 4.382 0 1 EIAF COc1ccccc1NC(=O)/C=C/c1cccc(OC(F)(F)F)c1 49072498 MXBKVQZQTGUAKN-MDZDMXLPSA-N 337.297 4.246 0 1 EIAF O=C(Nc1ccccc1)Nc1cccc(Oc2ccc3nccn3n2)c1 95560710 DUACVOORSOOZRH-UHFFFAOYSA-N 345.362 4.166 0 1 EIAF CC(C)(C)c1ccc(C(=O)N2CCc3c([nH]c4ccc(O)cc34)C2)cc1 95594097 NTWYHWVQCWADJS-UHFFFAOYSA-N 348.446 4.370 0 1 EIAF CN(c1ccccc1)c1n/c(=N\c2ccc(Cl)cc2)sn1C 103179923 OBMXKJZUUDHOCV-OBGWFSINSA-N 330.844 4.135 0 1 EIAF CNCc1cccc(C(F)(F)C(F)(F)c2ccccc2)c1CNC 169318626 PDFZQVNDIWBGOG-UHFFFAOYSA-N 340.364 4.009 0 1 EIAF Cc1ccc(-c2nc3ccc(Cl)cc3c3nnc(S)n23)cc1 169339875 AZPGXPCVOFATFH-UHFFFAOYSA-N 326.812 4.195 0 1 EIAF OCc1ccccc1-c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 586895414 ZVRNRFFPIXLTGG-UHFFFAOYSA-N 335.794 4.438 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 586909525 FHMQJAHJTVMIGQ-LDYMZIIASA-N 327.197 4.137 0 1 EIAF O=[S@@](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)CC1CC1 586959099 LGFQGGLSQWNQEX-HSZRJFAPSA-N 342.489 4.373 0 1 EIAF Cc1ncc(-c2nc3c(Cl)ccnc3[nH]2)c(C)c1Br 586979158 RMEFWOMHGPPKMH-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF Nc1ccnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 587083441 UNSQOONDSDDRIQ-UHFFFAOYSA-N 330.178 4.062 0 1 EIAF Oc1nc2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc2[nH]1 587084947 JSWVGUNQKDSMLH-UHFFFAOYSA-N 335.754 4.013 0 1 EIAF Cc1c(-c2nccn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098680 RZUBXXUMWABZBP-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(N)=O)cc2[nH]1 587114605 VBDFXNZELTXYHV-SNVBAGLBSA-N 347.340 4.027 0 1 EIAF Fc1cc(F)c(-c2nc3ccnc(Cl)c3[nH]2)cc1Br 587137643 DHYUGXDBCQYUPR-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF O=C1Cc2nc3cccc4c3c(c2[C@H](C2CC2)C1)-c1ccccc1C4=O 587208705 YFWAMHVZTLXFQT-KRWDZBQOSA-N 339.394 4.455 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587250097 GXJFVBDCXCUUSJ-UHFFFAOYSA-N 343.386 4.250 0 1 EIAF CCC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348705 ANPUFUXTZSRTMM-UYAOXDASSA-N 342.366 4.018 0 1 EIAF CCCCc1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)[nH]1 587379049 FYJNAZLNHWKAOA-CYBMUJFWSA-N 333.819 4.003 0 1 EIAF CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587399798 MHAHCSWYNODBCH-IBGZPJMESA-N 325.408 4.381 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O)cc1)O2 587404160 OLEDTIYUAMLEAG-QFIPXVFZSA-N 345.398 4.192 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1F)[C@@H](C2)C3=O 587422958 HIUUQUAQJVJYHQ-SCLBCKFNSA-N 332.758 4.151 0 1 EIAF CC[C@]1(c2c(F)cc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423979 MMOPCPZFPWRJFL-BLVKFPJESA-N 348.320 4.165 0 1 EIAF COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)(C(C)C)[C@@H](C2)C3=O 587438017 KTSUOGBYADEFSZ-KSFYIVLOSA-N 347.414 4.475 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1SC)[C@@H](C2)C3=O 587453401 SDIKKNNKJCNHFF-IFXJQAMLSA-N 326.417 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@@H](C)CC)CC2=O 587480851 WPAVFYCOXTWWCO-KPZWWZAWSA-N 328.412 4.219 0 1 EIAF C[C@]1(c2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527660 USXCELYKJJEJLJ-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF O=C(c1ccc2ccccc2c1O)n1nc2cc1Oc1ccc(F)cc1-2 587874100 ULPUTYIBGOTKJV-UHFFFAOYSA-N 346.317 4.342 0 1 EIAF COc1ccc(CCCc2nc3ccc4ncccc4c3[nH]2)cc1OC 587925908 SVDYOBIGLUADIX-UHFFFAOYSA-N 347.418 4.304 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2c(Br)ccnc2[nH]1 587955278 MKWVHIROOUXDDB-UHFFFAOYSA-N 330.229 4.355 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)cnc3[nH]2)CC1 587971186 VWRFCGHLMJXIAS-UHFFFAOYSA-N 325.799 4.041 0 1 EIAF CCO/C=C/[C@]1(C(F)(F)F)c2ccc(F)cc2C[C@@H]2CCCN21 963097235 FVYOKHDPSVAORU-RXQWTSATSA-N 329.337 4.154 0 1 EIAF Cc1cc(Oc2nccc3occc23)ccc1-c1cncc(C(N)=O)c1 1857613331 MOQLKASKEVJIKS-UHFFFAOYSA-N 345.358 4.089 0 1 EIAF CCN(Cc1ccccc1)c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C 1857747125 AUJYSYDAMOAXMY-MRXNPFEDSA-N 349.478 4.047 0 1 EIAF COc1ccc([C@@](C)(O)c2nc(-c3ccco3)nc3ccccc23)cc1 1911570385 BOKOHLYURHURGB-OAQYLSRUSA-N 346.386 4.154 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC5=C(C)NC[C@]54CC[C@@H]32)C1 2356484941 MWTHHJZKMUONAM-KQXGTCBSSA-N 326.528 4.395 0 1 EIAF CCCCCC=CC=CCCCCCCCC(=O)OC[C@H](O)CO 2356545972 USPSDZQQNLMVMK-LJQANCHMSA-N 340.504 4.306 0 1 EIAF CCCCCOC(=O)CCCOC(=O)Oc1cccc(Cl)c1 13644456 NAGKHCMQFIFFKE-UHFFFAOYSA-N 328.792 4.369 0 1 EIAF Cc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(C)c1 34803566 ZPRJXZVPSKFXMT-UHFFFAOYSA-N 344.422 4.067 0 1 EIAF Cc1cn(-c2csc(Nc3cccc(Br)c3)n2)c(C)n1 35049911 VWJAXDNGOWZVPM-UHFFFAOYSA-N 349.257 4.452 0 1 EIAF CC(C)(C)c1cc[n+](CCCC[n+]2ccc(C(C)(C)C)cc2)cc1 66100272 DVTOGPVSMNYLJQ-UHFFFAOYSA-N 326.528 4.337 0 1 EIAF O=C1Nc2ccccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1 103236526 OEKXWGPTLWTGTP-DENIHFKCSA-N 340.382 4.052 0 1 EIAF Cc1ccc2ccccc2c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586884597 UXJYEOOSQQFZBY-UHFFFAOYSA-N 328.297 4.452 0 1 EIAF COc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1 587145177 GQHIZRWJGFCZBD-UHFFFAOYSA-N 333.366 4.363 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587164380 UIXWWMWVWDVBIN-HNNXBMFYSA-N 337.320 4.372 0 1 EIAF CCOC(=O)Cc1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587251952 OYIKOBNKWGOVLG-UHFFFAOYSA-N 345.402 4.071 0 1 EIAF CCC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351522 KBNABAIFZQVWQK-RAEIMNJVSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C(C)C)n3ccccc13)O2 587393474 HEHJAHBDHKHUCJ-KRWDZBQOSA-N 335.407 4.055 0 1 EIAF CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(CC)c1O 587404179 OUDXLZGJXFKUBB-GOSISDBHSA-N 325.408 4.114 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccsc1N)(C(C)(C)C)O2 587409262 HKWDUTIHYBTLBO-GOSISDBHSA-N 330.453 4.128 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccccc3)n1)O2 587412084 GXNFJUCIUYHDIZ-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535836 OHMIPIWCBREXKZ-NRFANRHFSA-N 336.387 4.175 0 1 EIAF O=C1C[C@H]([C@@]2(c3ccccc3)CCOC2)Oc2c1ccc1c2CCCC1 587535905 PCYARWSMPQCKQK-GGAORHGYSA-N 348.442 4.258 0 1 EIAF CCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587771568 MKECTZOJKVSRSZ-BTDLBPIBSA-N 349.247 4.169 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccn2)N1 587774745 XHZBUAWJPABDCC-ABAIWWIYSA-N 349.247 4.191 0 1 EIAF O=C(c1ccc2ccccc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587874750 JPCKLQKRIKBRPI-UHFFFAOYSA-N 331.306 4.032 0 1 EIAF COC(=O)c1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cn1 587968702 OHBOZIXBPUCFQS-KTKRTIGZSA-N 329.359 4.068 0 1 EIAF O=C1Nc2ccc(Cl)cc2/C1=C/c1[nH]nc2c1Cc1ccccc1-2 1857655111 ABLPHIQERZKYEF-ZROIWOOFSA-N 333.778 4.127 0 1 EIAF C[C@@H](C=C[C@@H](C)[C@@H](C)CO)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@H]3CC[C@]21C 2356581785 KTECGYIRZKGESY-PCQJFIBPSA-N 332.484 4.121 0 1 EIAF CC(C)=CC[C@H](O)C(C)=CCOc1cc(=O)oc2cccc(C)c12 2356706953 XIQXQZGEDPETFJ-INIZCTEOSA-N 328.408 4.144 0 1 EIAF CC(=O)O[C@@H]1C=C2C=C[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)CC1 2356756408 CGBFTMGKAPXWPF-NWDASVTGSA-N 344.495 4.408 0 1 EIAF O=c1on(Cc2ccccc2)c(-c2ccncc2)c1-c1ccc(F)cc1 1486024 KIDDNYSJSUKKGY-UHFFFAOYSA-N 346.361 4.358 0 1 EIAF CCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1 5127615 SPDXTMDAPNFIRD-LGMDPLHJSA-N 339.826 4.083 0 1 EIAF Oc1cc2c(cc1Br)[nH]c1c(-c3ccc[nH]3)nccc12 5161661 VEKFOUQYWWKIPI-UHFFFAOYSA-N 328.169 4.179 0 1 EIAF biogenic CCOC(=O)c1oc2cccc(OCCCN3CCCCC3)c2c1C 6403600 MNBVXKNOKLAALS-UHFFFAOYSA-N 345.439 4.173 0 1 EIAF CCCC[C@@H](O)/C=C/[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398849 FGOHBHQHFAYLCZ-IUNWEEIYSA-N 336.472 4.089 0 1 EIAF c1cc(-c2cn3c(n2)CCCC3)ccc1OCCCN1CCCCC1 33982208 KWQVGDOOPFKUEC-UHFFFAOYSA-N 339.483 4.141 0 1 EIAF CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1 36093128 NYTKHXFTKWNXNT-UHFFFAOYSA-N 328.422 4.306 0 1 EIAF C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 36289066 NHZLUWXVVNMGJV-PTOGTVGVSA-N 347.543 4.211 0 1 EIAF Nc1ccccc1-c1cc(CCCCC(=O)Nc2ccccc2)on1 64574077 MJMGZIRNFDOOND-UHFFFAOYSA-N 335.407 4.275 0 1 EIAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCC3CC3)ncnc21 82179971 BTEAZOOFCMMRQR-AWEZNQCLSA-N 335.455 4.361 0 1 EIAF CC[C@H](Cc1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251326 YXGACPVGUQXDFZ-LJQANCHMSA-N 345.508 4.220 0 1 EIAF O=C1OC2(CCCCC2)CN1c1ccc(C#Cc2ccccc2)cn1 144289962 OZKBWEDVSNOMJW-UHFFFAOYSA-N 332.403 4.141 0 1 EIAF CCN(CC)CCCCN1c2ccccc2O[C@@H]2C=CC(Cl)=C[C@H]21 253803003 AYSVOHVYHXXWHC-UYAOXDASSA-N 346.902 4.437 0 1 EIAF O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1O 299839082 PRZLTYXLXXYWSD-HNNXBMFYSA-N 340.231 4.478 0 1 EIAF Cc1ncsc1CCc1nc2ccc(Br)c(C)c2[nH]1 587026956 KYYDWKHGAUUTPZ-UHFFFAOYSA-N 336.258 4.184 0 1 EIAF Cc1cc(Cl)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587042232 BESCEHQFKNHMIF-UHFFFAOYSA-N 329.812 4.236 0 1 EIAF CNc1c(F)cccc1-c1nc2cc(Br)cc(F)c2[nH]1 587135519 FONRTLVCNZUFKC-UHFFFAOYSA-N 338.155 4.312 0 1 EIAF FC(F)(F)c1cc(C2CC2)n(Cc2cc3c4c(cccc4n2)CC3)n1 587210907 YUZFOAKQQVNQPZ-UHFFFAOYSA-N 343.352 4.474 0 1 EIAF Cc1cc(=O)oc2cc(OCc3cc4c5c(cccc5n3)CC4)ccc12 587217026 STRBIJZZYFEPNM-UHFFFAOYSA-N 343.382 4.327 0 1 EIAF Nc1ccccc1-c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 587251004 VZEUVRFYJWVUOL-LJQANCHMSA-N 343.390 4.203 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O 587442388 JFNGISXGCPEVMM-AVRDEDQJSA-N 349.430 4.174 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(F)c1OC)CC2=O 587466133 LYBDBDKTYKEGAO-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 2356468924 VSYFJHFESQENRE-KPCXGOLVSA-N 348.527 4.220 0 1 EIAF CCCCC(=O)N(Cc1ccco1)[C@@H](CC)C(=O)NC1CCCCC1 2356815458 CRTYTAYMYIAJKE-SFHVURJKSA-N 348.487 4.026 0 1 EIAF CNC(C)(C)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)(NC)[C@H]3CCC(C)=C[C@@H]32)O1 2356867351 WQXFDBGFWSORFF-CQXMTJGFSA-N 348.575 4.283 0 1 EIAF COc1ccc(Nc2ncc(C(=O)N3CCCC3)c3ccccc23)cc1 213162 OMWFIOIROGEIQX-UHFFFAOYSA-N 347.418 4.223 0 1 EIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N(C)C 4294944 YIKNYTSAYCYFLJ-OALUTQOASA-N 346.471 4.187 0 1 EIAF OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccccc2)CC1 13674294 XWQUNGTZLGEOJE-UHFFFAOYSA-N 345.870 4.093 0 1 EIAF CC(C)(C)c1cc(/C=C2\CC(=S)NC2=O)cc(C(C)(C)C)c1O 13734158 IESQOZLTQCTSSB-KPKJPENVSA-N 331.481 4.218 0 1 EIAF Cn1nc(C2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1 27196921 MINOMAKPQGKDCF-UHFFFAOYSA-N 347.462 4.133 0 1 EIAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 28762206 BZEWSQBMUDXXBU-DGAVXFQQSA-N 331.765 4.038 0 1 EIAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 34059291 UINDYEKBRZRPSX-QPLMFNHESA-N 332.484 4.469 0 1 EIAF OCC[C@H]1OC2(CCN(CC3CCCCC3)CC2)c2ccccc21 66259579 NQSQNZWINPLIAN-HXUWFJFHSA-N 329.484 4.012 0 1 EIAF Cn1cc(C(=O)N2CCC[C@@H]3c4ccccc4C[C@@H]32)c2ccccc21 96169447 FJPXQVUVWACEMJ-UTKZUKDTSA-N 330.431 4.123 0 1 EIAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)co2)c1-c1ccccc1 103249864 HTMAXVWJKDSGAS-UHFFFAOYSA-N 345.358 4.201 0 1 EIAF Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1 113419783 IIJXNAFFHRCGGM-UHFFFAOYSA-N 349.463 4.039 0 1 EIAF COc1cc2ccc([C@@](O)(c3cncs3)C(C)C)cc2cc1OC 145065149 RBHSEBMDGMNLDP-LJQANCHMSA-N 343.448 4.205 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 169704900 FVKLJXVKEMVGAL-DZGCQCFKSA-N 338.386 4.160 0 1 EIAF C[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCCN23)cc1 194852703 XJOHPHSPUYUGES-UHFFFAOYSA-N 332.523 4.196 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24O3 195240401 JTVHQWNUCRXUJU-KSYFULEYSA-N 336.472 4.414 0 1 EIAF Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)n[nH]c(=O)c1C 220989279 YVEFCGJFNRSVAM-UHFFFAOYSA-N 341.798 4.203 0 1 EIAF OCc1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586895334 XCDHZTOYTSMEGW-UHFFFAOYSA-N 326.705 4.394 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@@H](O)CC4)-c1ccccc1C2=O 587101316 LXBVIDHXHMLEOD-KRWDZBQOSA-N 343.426 4.339 0 1 EIAF CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3c4c(cccc4n2)CC3)C1 587213611 XZKGFBRINUOURV-MRXNPFEDSA-N 338.451 4.448 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587428007 LDLMEBYHHNEJQO-IFXJQAMLSA-N 346.785 4.237 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2F)N1 587727977 QHITWCWDISDESK-WPPNPWJKSA-N 344.224 4.412 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2)N1 587821956 YXLADXYCZKATMV-QGHHPUGFSA-N 348.215 4.024 0 1 EIAF CN1CCN(c2ccc3nc(CC4CCC(C)(C)CC4)[nH]c3c2)CC1 587961259 QTQXZQFFMULRRO-UHFFFAOYSA-N 340.515 4.074 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2NC(C)=O)N1 962944878 ICNKHXIKHRIGEG-VBKZILBWSA-N 333.435 4.140 0 1 EIAF O=C(Cc1ccccc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 1772627513 UQLJZDKWSMEBGE-GOSISDBHSA-N 340.810 4.064 0 1 EIAF O=c1ccc2ccc(OCCCCCCCCn3ccnc3)cc2o1 1857769371 SNOMUMCZFKGSHZ-UHFFFAOYSA-N 340.423 4.409 0 1 EIAF C=C(OC)C1=CO[C@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 2356456743 OZWKLHPDZNRGGY-OLMNPRSZSA-N 346.430 4.392 0 1 EIAF CCCCc1nc2cc(C(=O)N3CCC[C@@H](OCCC)C3)ccc2o1 11933728 GKQFNYVAXKKZFJ-MRXNPFEDSA-N 344.455 4.202 0 3 EIAF Cc1cc(NCC(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 13602459 HGVUYPTYICEYMV-UHFFFAOYSA-N 329.396 4.421 0 1 EIAF CCCCc1ncc(/C=C(\C)C(=O)O)n1Cc1ccccc1Cl 13728083 AMJFHPJFNAOTEM-JLHYYAGUSA-N 332.831 4.415 0 1 EIAF Cc1cccc([C@H]2NC(C(C)(C)C)=N[C@@H]2c2ccc3nccnc3c2)n1 28656360 WWBGXAKQOUEKBM-RTBURBONSA-N 345.450 4.163 0 1 EIAF CC(C)(C)CNc1ncnc2ccc(-c3ccc(C(=O)O)o3)cc12 66102868 JJPZLWMTFRUOOC-UHFFFAOYSA-N 325.368 4.046 0 1 EIAF CCS(=O)(=O)c1ccc2c(c1)nc(C1(C)CCCC1)n2CC1CC1 72107663 LURAKQNBAVXOPJ-UHFFFAOYSA-N 346.496 4.072 0 1 EIAF COc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1OC 72176186 HBLRZVSATGYPAV-UHFFFAOYSA-N 333.391 4.345 0 1 EIAF Cc1ccnc(-c2c[nH]c3ccc(-c4nnc(NC(C)(C)C)o4)cc23)n1 145412536 CTUHVBQMEHYEQH-UHFFFAOYSA-N 348.410 4.194 0 1 EIAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(Cl)c1 225946900 ARTQZTMWQJINSR-UHFFFAOYSA-N 348.189 4.154 0 1 EIAF COc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)cc2)c1OC 238731747 RYSQDUQTYSNCEN-UHFFFAOYSA-N 338.359 4.155 0 1 EIAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 299805825 NNSRXNWUJQJDLG-SQEUKHGBSA-N 347.543 4.094 0 1 EIAF COc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1OC 587132002 ZNFUMNDRZXGXAK-UHFFFAOYSA-N 344.361 4.462 0 1 EIAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587171776 SFNFZZRVYAQHRH-VIFPVBQESA-N 342.399 4.180 0 1 EIAF Nc1ccc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587252338 YHNIRPJZIONHMM-KMKOMSMNSA-N 341.418 4.147 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C3CCCCC3)nc1)O2 587393764 LTUBDAMSVQIZEO-GOSISDBHSA-N 337.423 4.121 0 1 EIAF CCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)CCC2 587400091 NDHBNFMFLKAIRJ-FQEVSTJZSA-N 337.419 4.171 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cc1)[C@@H](C2)C3=O 587430563 JBEPRPVUDCUFNN-JTSKRJEESA-N 345.398 4.283 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccco1)[C@@H](C2)C3=O 587453762 HAAQOCQSRLOIBX-HRAATJIYSA-N 332.355 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(OC)c1F)CC2=O 587466626 MVMLPPUKQRFAOC-INIZCTEOSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(CN(C)C)c1)CC2=O 587470670 VYGFGFJKBDGHJG-FQEVSTJZSA-N 339.435 4.113 0 1 EIAF C[C@]1(c2nc3ccccc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587524927 MOSIMDIVFHGAFB-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 587627191 PDKGQTIKBIBOJX-DTDPFCBUSA-N 344.842 4.120 0 1 EIAF CC[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587772540 OFVBOKBZLOEZIX-GTNSWQLSSA-N 349.247 4.171 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3ncccc3Br)n1)O2 587872501 LXTKFZXRWUGEBY-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1OC1CCC1 587952004 WATZCVFDDUTBNG-UHFFFAOYSA-N 336.391 4.323 0 1 EIAF COc1ccc(-c2cc3c(=N[C@@H](C)c4ccccc4)nc[nH]c3o2)cc1 1772593055 CNJOKJPWTYTGNS-AWEZNQCLSA-N 345.402 4.493 0 1 EIAF CN(C(=O)C1CC1)c1cncc(-c2cc(-c3cccnc3)cs2)c1 1857767235 DWMNIZORLMAMSD-UHFFFAOYSA-N 335.432 4.245 0 1 EIAF COc1cc(C=C(C)[C@@H](C)Cc2ccc(O)c(OC)c2)ccc1O 2356659699 OPAORDVBZRVVNQ-AWEZNQCLSA-N 328.408 4.397 0 1 EIAF C[C@@H](NC(=O)CCc1nnc(C2CCCCC2)o1)c1ccc(F)cc1 12072560 OAQSFQZHOSVDSO-CYBMUJFWSA-N 345.418 4.066 0 3 EIAF c1ccc(N2CCCCC2)c(Nc2nc3ccccc3n3cnnc23)c1 96487804 JNTZDXUUXYAWMU-UHFFFAOYSA-N 344.422 4.011 0 3 EIAF Cc1nc2cnccc2n1-c1ccc(-c2nc3ccccc3[nH]2)cc1 13743134 HQFQCHAGMAZVQR-UHFFFAOYSA-N 325.375 4.272 0 1 EIAF C[C@H]1CN(CC[C@@H](O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13832988 YJQIKSUIZIHGOJ-MTNREXPMSA-N 339.479 4.115 0 1 EIAF CSC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 14947014 FDHUZZLLTRFCDB-QBYKVAOYSA-N 332.509 4.431 0 1 EIAF Cc1cc(Cl)ccc1OCc1nnc(-c2ccc(O)cc2O)s1 28712194 QQKRSWWWCOCTMO-UHFFFAOYSA-N 348.811 4.157 0 1 EIAF O=C(OC1CCCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 36187804 HFYFUAKNFWJYTM-MRXNPFEDSA-N 329.465 4.182 0 1 EIAF O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 49090029 QUVRBMYDRIIHLI-UHFFFAOYSA-N 333.366 4.298 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@H]2C(=O)C(F)(F)F 58549986 BZEWSQBMUDXXBU-YIYPIFLZSA-N 331.765 4.038 0 1 EIAF COc1cc(CNc2cc3c(cn2)[nH]c2ccccc23)cc(OC)c1 72175178 UDRFZICUXRMZJN-UHFFFAOYSA-N 333.391 4.345 0 1 EIAF CCOCn1c(O)nc(=S)c(C)c1Sc1cccc(Cl)c1 84707867 XXFUGXPQNOZBIR-UHFFFAOYSA-N 342.873 4.425 0 1 EIAF CCc1cccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755583 QSSMEBVDTSZFGG-UHFFFAOYSA-N 342.420 4.438 0 1 EIAF OC1=C2C(=Nc3ccnn3[C@@H]2c2cccc(OC(F)(F)F)c2)CCC1 100789985 OIXXGBFBCZAIKA-MRXNPFEDSA-N 349.312 4.453 0 1 EIAF O=C(CC(=O)c1ccc(F)cc1F)c1cccc(Br)c1 103223606 BDRUZWMWJSAMMY-UHFFFAOYSA-N 339.135 4.183 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2cc(Cl)nc(Cl)c2[nH]1 586880784 RXWUPKZGTDXJOA-WAYWQWQTSA-N 334.162 4.133 0 1 EIAF O=C(O)c1ccccc1/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1 586881282 VMFOCLDIJDDGSD-HJWRWDBZSA-N 332.281 4.450 0 1 EIAF O=C(c1ccccc1)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896770 XQKGSGRJHLWDDB-UHFFFAOYSA-N 342.398 4.285 0 1 EIAF COC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 587017267 UNSGUUVLLQOPST-UHFFFAOYSA-N 339.376 4.041 0 1 EIAF Fc1c(Cl)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1F 587017439 WQOOAYULEJETMB-VIFPVBQESA-N 341.770 4.470 0 1 EIAF Sc1nc(S)c2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2n1 587074529 WTJUNKYKJLZWDD-UHFFFAOYSA-N 348.884 4.054 0 1 EIAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)cnc3[nH]2)c(N)cc1F 587136614 SRKOMHHFXGZGCV-UHFFFAOYSA-N 334.782 4.177 0 1 EIAF Fc1cc(Br)ccc1-c1nc2cc(Cl)ncc2[nH]1 587142629 IJQSEAFXJBPIFE-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Nc1c(-c2nc3ccc4ncccc4c3[nH]2)cnc2c(F)cccc12 587176254 IZYMCVHVCKXBER-UHFFFAOYSA-N 329.338 4.048 0 1 EIAF CC(=O)N[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)c1ccc(C)cc1 587216474 BVEREPNBZZCHLB-IBGZPJMESA-N 343.430 4.444 0 1 EIAF COc1ccc2occ([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587412778 OQYVXIYIWDLXPW-HXUWFJFHSA-N 337.375 4.213 0 1 EIAF COc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534740 FCBDWTSBQHCAJM-ZDUSSCGKSA-N 349.839 4.390 0 1 EIAF CCOc1ccccc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 587779873 HUNZAHCTCACJBT-UHFFFAOYSA-N 338.194 4.242 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(F)cc2[nH]1 587927755 UEZAHDNKDQGMTN-GFCCVEGCSA-N 344.386 4.270 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3ccnc(Cl)c3[nH]2)CC1 587970623 LQDUQZJWIHIQEC-UHFFFAOYSA-N 325.799 4.041 0 1 EIAF COc1cc2c(cc1OC)[C@@H](c1cc(F)c(C)c(F)c1)N(C)[C@@H](C)C2 962634647 LAHITEJJAYLJSO-PRWKNARSSA-N 347.405 4.256 0 1 EIAF Cc1cc(C)c([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)[nH]1 962704588 LHGNKMCZDZXNEL-MGPUTAFESA-N 344.499 4.398 0 1 EIAF Cc1ccc([C@@]2(c3ccnc(C)c3)NCCc3ccc(O)cc32)c(C)c1 963329826 VBPJVZYRGNQSJB-HSZRJFAPSA-N 344.458 4.150 0 1 EIAF COc1cccc(C(=O)Nc2ccc(Oc3cccc(O)c3)cc2)c1 1857748722 CSYVYEHRNMWIOI-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF CCO[C@H]1OC(=O)C(Cl)=C1Nc1ccc(-c2ccccc2)cc1 1857762679 RLQQIACOPOPXMH-SFHVURJKSA-N 329.783 4.135 0 1 EIAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 2356437010 CVAKRAZZOFTNQL-HCKSERAJSA-N 330.424 4.257 0 1 EIAF O=C(OC1(c2cc3ccccc3c(=O)o2)CCCCC1)c1ccco1 36388773 KSAIPCGXPSAPGA-UHFFFAOYSA-N 338.359 4.402 0 3 EIAF COc1cccc([C@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)c1 61897057 XJSXUWPJPHYHRZ-SFHVURJKSA-N 347.386 4.353 0 3 EIAF COc1ccc(/C(N=O)=C2\NC=C(C(F)(F)F)C=C2Cl)cc1 104003757 WGSPZKCNPPFVRT-OUKQBFOZSA-N 330.693 4.302 0 3 EIAF CONC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 595868 ZKPFBHQYHSRHPJ-UHFFFAOYSA-N 325.195 4.337 0 1 EIAF Cc1cccc2nc(-c3ccncc3)c(Nc3ccc4c(c3)OCO4)n12 2468918 XBXJHCRSBPIXNY-UHFFFAOYSA-N 344.374 4.177 0 1 EIAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@@H](c2ccccc2)O1 3801621 RFTRIPDMNMTLEZ-PMACEKPBSA-N 337.423 4.024 0 1 EIAF CC(=O)CC[C@@H]1C(C)(C)CCC[C@@]1(C)C(=O)CCC1=CCOC1=O 13385461 KVLVNKUNUGDPMA-OXQOHEQNSA-N 334.456 4.021 0 1 EIAF biogenic CCC(=O)O[C@H](C)c1cccc2oc(=O)c(CC=C(C)C)c(OC)c12 14592190 BBBGOZCECWORCD-CYBMUJFWSA-N 344.407 4.325 0 1 EIAF biogenic Clc1ccc([C@H]([C@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 26250234 ZSINOYZZEZDTLK-IAGOWNOFSA-N 346.217 4.178 0 1 EIAF COc1oc(=O)c2cc(NC(=O)Oc3ccccc3)ccc2c1Cl 34492450 URNLSVZXGIJVBD-UHFFFAOYSA-N 345.738 4.066 0 1 EIAF CCCn1ccc2cc(-c3ccc(N(C)C)nc3)cc(Cl)c2c1=O 66076561 VHRAAXPEOJDMOL-UHFFFAOYSA-N 341.842 4.193 0 1 EIAF CCCC[C@@H]1C[C@@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 100800670 VGUKOKATWNDEOI-SSSFQFABSA-N 343.511 4.307 0 1 EIAF CN(C)C[C@@H]1C[C@@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 101103170 YMCGWFAISRHARH-DEYYWGMASA-N 329.875 4.055 0 1 EIAF C[C@@H](c1ccc(C2CC2)cc1)N1CCC2(CCC(O)CC2)OC1=O 146428303 WRMWLEQUISNYHQ-KLOIUYPJSA-N 329.440 4.141 0 1 EIAF C[C@@]12CCCC[C@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O 169345776 ABDWAQIYMKYCPD-XXFAHNHDSA-N 343.206 4.317 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 194874467 JTVHQWNUCRXUJU-DVIXLVCNSA-N 336.472 4.414 0 1 EIAF CCN(CC)CCOc1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1 202567930 NDESJFCTZMZGTP-UHFFFAOYSA-N 344.842 4.055 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253636221 WGPZAVZHAGYUOL-DLSMWHAWSA-N 331.500 4.055 0 1 EIAF O=C(Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O)c1ccccc1 299839111 QCIUKBRMFPOUOI-UHFFFAOYSA-N 345.398 4.438 0 1 EIAF O=C1CCC[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)CC1 586883486 DIAPLZLTOWCADN-MRVPVSSYSA-N 325.181 4.081 0 1 EIAF COc1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 587026994 LQKNZERMXJBQNC-UHFFFAOYSA-N 325.393 4.187 0 1 EIAF CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)cc3NC)[nH]c2c1 587066002 CZVMIOFMIZWDES-UHFFFAOYSA-N 343.814 4.031 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587243627 GUMWXRGBPCYUFV-UHFFFAOYSA-N 333.178 4.056 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1OCC1CC1)O2 587384434 DCIUSBXLMXVGIA-LJQANCHMSA-N 341.382 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCc3ccc(F)cc31)O2 587384989 QRTKIQCAHDZURT-FQEVSTJZSA-N 325.383 4.303 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)Oc2ccccc21 587488919 SPUYJLXUNNGQBK-LRTDBIEQSA-N 338.403 4.376 0 1 EIAF Cc1nc2ccccn2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587515506 OYVWKFSJPNXVQQ-JOCHJYFZSA-N 346.430 4.402 0 1 EIAF CCOCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534056 VIHAHCQBTYVKFF-LJQANCHMSA-N 326.392 4.401 0 1 EIAF Cc1ccc(C)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587654684 YFSKZYBJQDEXQA-UHFFFAOYSA-N 341.823 4.266 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(F)cn1 587862330 KGTOZEIJEVGXAY-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587962356 HXXUTJUZLOQCFA-JGVFFNPUSA-N 341.636 4.137 0 1 EIAF c1cnc2ccc(-c3ccc4nnc(-c5cscn5)n4c3)cc2c1 653756227 SXANBMXUPWLESF-UHFFFAOYSA-N 329.388 4.068 0 1 EIAF COc1cccc(-c2nc([C@H]3NCCc4cc(C)c(F)cc43)co2)c1 962089088 FYXVFWSLBIAOJL-IBGZPJMESA-N 338.382 4.033 0 1 EIAF COc1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 1772601739 VWOLGYKRDOAGKG-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CCOC1=O 2356611326 SIFADWAWFOYYKC-JGMDCFHESA-N 346.467 4.202 0 1 EIAF C[C@@H]1CCCN1CCCOC(=O)c1ccc(O[C@H]2C=CCCC2)cc1 1712422 RJLFAHVSQRMLJK-MJGOQNOKSA-N 343.467 4.205 0 1 EIAF O=C(CCCCCC/C=C\c1ccc2c(c1)OCO2)N1CCCC1 14591326 VBHDFZGBKBFFDM-UITAMQMPSA-N 329.440 4.392 0 1 EIAF endogenous,in-man CCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27561449 IALGVABNIXIPEW-YUELXQCFSA-N 332.465 4.448 0 1 EIAF ClC1=C[C@H](CCC=C(Br)Br)OCC1 28821709 ONSYGOWQDJPBGX-QMMMGPOBSA-N 330.447 4.309 0 1 EIAF O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(O)c2)cc1 29483856 KFCMPLMZHWYLOQ-UHFFFAOYSA-N 346.430 4.207 0 1 EIAF O=C(COc1ccccc1)N1CCS[C@@H]1c1ccc(C2CC2)cc1 40764244 ABJBWPXOBRDJNU-HXUWFJFHSA-N 339.460 4.217 0 1 EIAF CCCC[C@H](O)CCCCCC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 85510433 PJTWZAYRIXGWTR-KGWAOHPJSA-N 335.468 4.114 0 1 EIAF biogenic,in-vitro Cc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC1CCCCC1 115791797 SPCGWSLJNUVKFH-YBEGLDIGSA-N 331.437 4.278 0 1 EIAF Cn1ccnc1-c1nc(NCc2ccccc2Cl)cc(C2CC2)n1 230566272 ZNINGFBDHIPSSP-UHFFFAOYSA-N 339.830 4.020 0 1 EIAF O[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCOCC1 586915555 FVIBGULBFAVNOQ-GOSISDBHSA-N 340.448 4.174 0 1 EIAF N=c1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c[nH]1 587124141 ITMYXJDAABRABG-ZZXKWVIFSA-N 336.342 4.153 0 1 EIAF C[C@@]1(c2nc3cc(Cl)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156673 PASZTEXGBCYXGV-KRWDZBQOSA-N 347.752 4.286 0 1 EIAF CC[C@]1(CSC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369891 QZKKGCVAJKVGDI-PKOBYXMFSA-N 346.423 4.402 0 1 EIAF CC[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424846 WFODHTQBNIYWKH-CWTRNNRKSA-N 348.320 4.165 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccncc13)CC2=O 587483813 MAXNBSUXHNEVCH-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF C[C@@]1(c2ccnc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499059 KVHOVGRPXOXLAB-IBGZPJMESA-N 327.811 4.494 0 1 EIAF Cc1cc(C(=O)O)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529884 REKRAQFNJHBDMM-LJQANCHMSA-N 336.387 4.279 0 1 EIAF CCOc1cc(-c2nc3c(C)c(Br)cnc3[nH]2)ccc1C 587778742 RSHXLSVVRGETLY-UHFFFAOYSA-N 346.228 4.403 0 1 EIAF COc1cccc(C)c1-c1nc2cc(F)cc(Br)c2[nH]1 587787515 WHVFHGCPLZRMPF-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cnc2[nH]1 587927787 USEJFNCJQHJNEU-GFCCVEGCSA-N 331.803 4.170 0 1 EIAF Clc1nc2cc(-c3ccccc3)ccc2c(=NCc2ccccn2)[nH]1 1857621278 ZMRPJHPADVJCHD-UHFFFAOYSA-N 346.821 4.379 0 1 EIAF CCCCCC=CC=C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1OC 2356563783 MERZFCDASXJJEF-QAPCUYQASA-N 332.396 4.017 0 1 EIAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356634702 MDZRHDNUSKCTSP-KSOKIZOSSA-N 328.544 4.207 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H](CO)[C@H]2CCc1ccoc1 2356729884 PTORJJANMCYDLB-BBPUYGCGSA-N 348.483 4.216 0 1 EIAF Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3C)cc1 263590873 WQYXCPUGQWEXMJ-BSWVEEBUSA-N 328.456 4.195 0 3 EIAF COc1cc(Nc2nc(C)nc3sc(C)c(C)c23)cc(OC)c1 215546 FCTNFCOQEVAKCG-UHFFFAOYSA-N 329.425 4.377 0 1 EIAF Cc1cccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)c1 6748967 PGULECPVLKBULQ-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF CCNc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2O)s1 28712838 MRLLFJRIGFZJJM-UHFFFAOYSA-N 333.363 4.288 0 1 EIAF COc1cc([C@H]2[C@H](C)[C@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O 40412591 QDBUCXMBHJMGCN-JARDSOJUSA-N 328.408 4.268 0 1 EIAF COc1cccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 74386095 RARCYMAKHMBLOZ-UHFFFAOYSA-N 333.366 4.135 0 1 EIAF CCCCNc1ncc(C(=O)N[C@@H](C)CC)c(-c2ccccc2F)n1 82152280 RLVNXVUBYUNEBD-ZDUSSCGKSA-N 344.434 4.023 0 1 EIAF CCN(CC)CCCNc1[nH]cc(C)c2nc3ccc(OC)cc3c1-2 100907808 BPKDSPUILXXUKU-UHFFFAOYSA-N 340.471 4.129 0 1 EIAF O=Nc1c([C@H]2C(=O)Nc3ccc(Cl)cc32)[nH]c2ccc(F)cc12 169723370 DOVFJZMVORPCAR-ZDUSSCGKSA-N 329.718 4.442 0 1 EIAF O=C(NCc1ccccc1)c1ccc(OC(F)F)c(OCC2CC2)c1 473145798 ZWFATIASYZINFE-UHFFFAOYSA-N 347.361 4.007 0 1 EIAF Clc1cccnc1-c1nc(-c2nc3ccnc(Cl)c3[nH]2)cs1 587016766 BWKAEKIIBGMWGM-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF Cc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1C 587116357 FDKOKSNJZUOTDY-UHFFFAOYSA-N 328.725 4.252 0 1 EIAF CC(=O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120443 JFIIOMIFNXCGIU-UHFFFAOYSA-N 344.296 4.328 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(Cl)cc31)O2 587379920 NDJUSTZGPANDEB-IBGZPJMESA-N 327.811 4.428 0 1 EIAF CCc1ccc(-c2c[nH]nc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397396 UXWPVLUIPPIIHL-IBGZPJMESA-N 347.418 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)cc1)CC2=O 587467685 GHPSTQODYCQJPU-IBGZPJMESA-N 325.408 4.117 0 1 EIAF CCO[C@@H](C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587516842 FJRZRUPTWDSDAK-ORAYPTAESA-N 340.423 4.023 0 1 EIAF COc1cc(OC)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526987 UECXSKSLTYMBKY-FQEVSTJZSA-N 338.403 4.289 0 1 EIAF CCO/C=C(\C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795709 JBOHHKHIEUWSAO-FHYAELHMSA-N 328.225 4.104 0 1 EIAF COc1ccccc1C(=O)Nc1cccc(Oc2ccc(O)cc2)c1 1857746112 RNZIQWAYKILIRQ-UHFFFAOYSA-N 335.359 4.445 0 1 EIAF O=c1oc(=S)oc2c1[C@H](c1ccc(Cl)cc1)O[C@H](C1CC1)C2 95568993 WSQDADJIDYEUET-FZMZJTMJSA-N 336.796 4.056 0 3 EIAF Cc1ncn(Nc2cccc(Cl)c2)c1-c1cccc(C(=O)O)c1 3641422 JLRJCTPMLDASJH-UHFFFAOYSA-N 327.771 4.085 0 1 EIAF CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 28949257 OITMYPZJEPSQMQ-UHFFFAOYSA-N 330.478 4.403 0 1 EIAF CC[C@@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 29208492 VUOSBBZWOPIIAE-WIPWUNCGSA-N 343.320 4.297 0 1 EIAF CCCCC[C@H](O)[C@@H](O)/C=C/C=C/C=C/C/C=C/CCCC(=O)O 33822280 RFCYXKNVYQOCTM-AFKYPDPOSA-N 336.472 4.158 0 1 EIAF CC(C)=CCOC[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl 39137387 AJCYBCLULNUJKZ-CYBMUJFWSA-N 340.254 4.352 0 1 EIAF CCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3 66077823 LODBNYQJHVOXNX-GOSISDBHSA-N 341.426 4.273 0 1 EIAF C[C@H]1[C@@H]2Cc3ccc(OC(=O)c4ccccc4)cc3[C@]1(C)CCN2C 100684498 PIPQWCKFSXAYCI-GJULWVSJSA-N 335.447 4.060 0 1 EIAF CSc1ccc(-c2csc([C@H]3CN4CCC[C@H]4CO3)n2)cc1 338900983 AZMDMCPBWDYFIW-XJKSGUPXSA-N 332.494 4.068 0 1 EIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)c(F)cc2[nH]1 587078974 DYLDTOLNNORTQY-ZDUSSCGKSA-N 346.768 4.218 0 1 EIAF Clc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085273 PZMPXKABSLXQRI-UHFFFAOYSA-N 348.237 4.044 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587234641 HQZUEQZTYQMXNF-UHFFFAOYSA-N 335.798 4.334 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)c(C)c1)(C1CC1)[C@@H](C2)C3=O 587424609 QAUITAIPPUIADE-HRAATJIYSA-N 338.378 4.196 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)cc(F)cc1F)CC2=O 587465321 HIXIJVQFMGCKIT-LJQANCHMSA-N 347.361 4.086 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccccc1)CC2=O 587476938 BUEOCRDOGXLXCW-FQEVSTJZSA-N 326.392 4.148 0 1 EIAF Cc1cc(Cl)cc2c(C(=O)c3ccn(C)n3)c(C(F)(F)F)[nH]c12 587624537 OFCXMROXAJLLTC-UHFFFAOYSA-N 341.720 4.113 0 1 EIAF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cccc(Cl)c1 587633112 SIJTXFGXEXLRCO-UHFFFAOYSA-N 345.757 4.368 0 1 EIAF Cc1cc(C)nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773625 RBRAJIBGLKKUEI-DIFFPNOSSA-N 349.247 4.224 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2)N1 587818295 HSVQVANQHJQLQH-DIFFPNOSSA-N 334.232 4.406 0 1 EIAF CN(C(=O)c1ccc(Cl)cc1)[C@H](CN1CCCC1)c1ccccc1 621431553 NVFVRNXZRBIGBT-LJQANCHMSA-N 342.870 4.249 0 1 EIAF COc1cccc(Cn2nncc2COc2ccc3ccccc3c2)c1 1857755858 TUMZSTDPYQGSFZ-UHFFFAOYSA-N 345.402 4.067 0 1 EIAF CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2Cl)cc1 1857759020 VVIHTYJJYKPKNU-UHFFFAOYSA-N 331.843 4.316 0 1 EIAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](OC)C[C@]4(C)[C@H]3CC[C@]12C 2356468926 VSYFJHFESQENRE-VSRHDAAOSA-N 348.527 4.220 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(oc(C)c2C)CC2=CCC[C@](C)(O)[C@]21C 2356497316 KJSGMDITOKTFKQ-HLAWJBBLSA-N 344.451 4.481 0 1 EIAF CC(C)Oc1ccc(F)cc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 61906097 BGJIWJQTFKOWEQ-UHFFFAOYSA-N 345.418 4.066 0 3 EIAF CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1 3815162 NJCGPPRBJLJTPA-UHFFFAOYSA-N 329.201 4.178 0 1 EIAF Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3cccnc3)nc2c1 4126178 VVGSOQYYKSXNLF-UHFFFAOYSA-N 344.374 4.177 0 1 EIAF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(C(F)(F)F)cc1 13185620 JGGVSDLOUIXTGY-UHFFFAOYSA-N 343.688 4.309 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cncn1 13511184 CWWOHKJKERHVSH-ZKHIMWLXSA-N 339.483 4.053 0 1 EIAF CCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1 26495289 FMKPLILMCPKGFU-UHFFFAOYSA-N 338.879 4.160 0 1 EIAF Brc1ccc(CO[C@H]2CNCC[C@@H]2c2ccccc2)cc1 27634219 KPJJSCYZYKQOFN-MSOLQXFVSA-N 346.268 4.111 0 1 EIAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(N)cc3)ccc2n1 36351736 XCGFHRFLMKAVRY-IZZDOVSWSA-N 346.434 4.004 0 1 EIAF FC(F)(F)Oc1ccc(Nc2cc(-c3ccncc3)ncn2)cc1 64527412 QTSVCLAUIGSDSU-UHFFFAOYSA-N 332.285 4.181 0 1 EIAF CCN(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2 71340442 MTEXBKFFTSVXID-UHFFFAOYSA-N 346.430 4.167 0 1 EIAF COc1cc(Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1O 84671764 RYCANZYXPNPASS-UHFFFAOYSA-N 345.704 4.325 0 1 EIAF Clc1ccc(N(CCCc2ccccc2)C2CNC2)cc1Cl 299828812 WXWLFJMECDDEAB-UHFFFAOYSA-N 335.278 4.404 0 1 EIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586879246 FXYGICUKUFBVTR-UHFFFAOYSA-N 335.451 4.438 0 1 EIAF Oc1c(-c2ccccc2)cccc1-c1nc2cc3cn[nH]c3cc2[nH]1 586896355 BOHRBWCLBBNKFZ-UHFFFAOYSA-N 326.359 4.479 0 1 EIAF Cc1oc2c(c1-c1nc3c(F)c(F)c(F)c(F)c3[nH]1)C(=O)CCC2 586903153 HHGLBVWTQIVGJS-UHFFFAOYSA-N 338.260 4.207 0 1 EIAF COc1cc(OC)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1 587027408 CIRXXUUPZHCZTQ-UHFFFAOYSA-N 340.408 4.007 0 1 EIAF COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Cl)c1O 587046434 ULYXWXOTVSLCFJ-UHFFFAOYSA-N 344.585 4.299 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587196093 QLFJQBUAFCMJKJ-SECBINFHSA-N 335.238 4.483 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccnc(Cl)c3c1)O2 587380908 XVXCLWLBUSIJHE-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O 587418894 BMPGXBXKAWDUEY-PAKWTWCKSA-N 340.341 4.180 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC(C)(C)C)[C@@H](C2)C3=O 587438802 IAQWCWPKAJUIBP-MGPUTAFESA-N 338.403 4.361 0 1 EIAF O=C1C[C@@H](c2cnc(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 587502650 SHCGVKSIDMGHDB-INIZCTEOSA-N 329.783 4.026 0 1 EIAF Cc1ccncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587775930 VAWRBGRPXWFXLQ-APPDUMDISA-N 349.247 4.089 0 1 EIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)CC2 587937082 HPRBXRHJDBNQLT-NSHDSACASA-N 347.340 4.258 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3ccc(SC)cc3[nH]2)CC1 587951869 JDYMEYJOJRTCFP-IYXRBSQSSA-N 334.485 4.363 0 1 EIAF Cc1cc2c(cc1F)[C@](c1ccc[nH]1)(C(Cl)(Cl)Cl)NCC2 962093639 QSKYKZCHTOFQCS-AWEZNQCLSA-N 347.648 4.222 0 1 EIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(C)cc1)N(C)[C@H](C)C2 962633248 SXMKLOLMNXKLEA-QVKFZJNVSA-N 325.452 4.152 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2ncco2)N1 962959910 VKKOTYJGYYAPHL-ZHRRBRCNSA-N 343.430 4.372 0 1 EIAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356764645 YSBQFDHILMUWPK-ZAASOBGJSA-N 332.484 4.387 0 1 EIAF CN1C=Cc2c([nH]c3ccccc23)[C]1C[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356813652 VCJNOWZJMXUQMS-WIYYLYMNSA-N 339.459 4.063 0 1 EIAF COc1cc(OC)cc(-c2cc3c(Nc4ccncc4)nccc3[nH]2)c1 74387072 IJOCGFRZVATTJW-UHFFFAOYSA-N 346.390 4.386 0 3 EIAF CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(=O)O)cc1 3810799 GYCXUDLLLXQSNR-NRSPTQNISA-N 335.447 4.264 0 1 EIAF FC(F)(F)c1ccccc1-c1cc(NCc2cccnc2)ncn1 4258427 AXSNMJUFUKXYPP-UHFFFAOYSA-N 330.313 4.170 0 1 EIAF COc1ccc(-c2c(C)n[nH]c2-c2cc(Cl)c(O)cc2O)cc1 4617888 NOPCVCOFHGDYAB-UHFFFAOYSA-N 330.771 4.125 0 1 EIAF C[C@H]1CCc2c(sc3c2CSC(C(=O)Nc2cccnc2)=C3)C1 20557610 OIEHSAFNZMKWLK-NSHDSACASA-N 342.489 4.494 0 1 EIAF CCOC(=O)Cc1nc(-c2ccsc2)oc1-c1ccc(F)cc1 27080821 ORQJGZCLJSNYHH-UHFFFAOYSA-N 331.368 4.315 0 1 EIAF COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 28221331 SLLRTIDVVLMIDX-UHFFFAOYSA-N 330.384 4.316 0 1 EIAF Brc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3)C[C@@H]1CO2 40801729 UEDNWQXXCKIYMD-RHSMWYFYSA-N 344.252 4.057 0 1 EIAF Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(C(F)(F)F)cc1 43078602 UZMDOKOIGYFDDP-UHFFFAOYSA-N 331.297 4.117 0 1 EIAF O=C(/C=C/c1ccc(O)cc1)Nc1nc2ccc(Cl)cc2s1 45256274 IKHUYTGYWSCRBJ-FPYGCLRLSA-N 330.796 4.307 0 1 EIAF CCCCc1ccc(-c2nc(CNCC[C@@H]3CCCN3C)co2)cc1 72186398 JQYSHVUSVDJUIR-FQEVSTJZSA-N 341.499 4.258 0 1 EIAF COc1cc([C@H](C)c2ccc3c(ccn3C)c2)cc(OC)c1OC 95585015 KSMCRSWQQZCSAS-CYBMUJFWSA-N 325.408 4.356 0 1 EIAF COc1cccc(S(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 103248155 MDYIRGMYKNHAKR-CMDGGOBGSA-N 342.338 4.159 0 1 EIAF CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 104099783 CYMAQEPQOJSZCH-HNNXBMFYSA-N 328.803 4.239 0 1 EIAF O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1cccc(C(F)(F)F)c1 117721256 UJRCBGVSNLVYNW-HNNXBMFYSA-N 348.368 4.425 0 1 EIAF Cc1nc2ccc(O)nc2n1-c1ccc(Cl)c(Cl)c1Cl 118267281 DPRDVSHCQIDIEY-UHFFFAOYSA-N 328.586 4.395 0 1 EIAF CC1(C)Oc2cc3oc(=O)cc(O)c3cc2-c2ccc(Cl)cc21 169318459 ADGLNWTWOUSPGT-UHFFFAOYSA-N 328.751 4.447 0 1 EIAF Cc1cc2ccccc2n1CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 169348257 DGXRCWWIWJRLOC-MOPGFXCFSA-N 336.410 4.009 0 1 EIAF O=C(O)c1c(Sc2ccc(Cl)cc2)c(=O)[nH]c2ccccc12 221004335 CLASNDUGDDUNQY-UHFFFAOYSA-N 331.780 4.031 0 1 EIAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@]3(C)CC[C@H]2C3(C)C)ccc1O 238740317 DDKIZPUZACBOPC-ILUDWHBUSA-N 330.424 4.172 0 1 EIAF COc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2n1 587077452 YESIBBPAPJFCQY-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF O=C1C[C@]2(CCc3ccc(O)cc3C2)Oc2c1ccc1c2CCCC1 587532201 JQIPFURALHZALM-JOCHJYFZSA-N 334.415 4.164 0 1 EIAF COc1cc(C)ccc1OCc1nc2ccc3nc(C)ccc3c2[nH]1 587564219 OVHLIKVRVZTMAP-UHFFFAOYSA-N 333.391 4.316 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(F)CC2 587571169 PMLFFKGBIZZRQX-WHROBYLRSA-N 328.339 4.005 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2)N1 587731499 GWCRNNXEMFFBAZ-JDNHERCYSA-N 338.195 4.351 0 1 EIAF COC[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793897 OEVPJPUUPMKYAD-BDJLRTHQSA-N 344.268 4.010 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CC)s1 587873296 XRWCGMDIEDREIO-UHFFFAOYSA-N 344.411 4.400 0 1 EIAF Cc1cc2c(cc1F)[C@@](C[C@H](C)CC(=O)O)(c1ccccc1)NCC2 962381496 YKPTWOBTLVMTMS-SPLOXXLWSA-N 341.426 4.024 0 1 EIAF Cc1ccccc1[C@@]1(C2CCCC2)NCCc2nc3ccccn3c21 962985719 REBAUVPTOPSXPZ-JOCHJYFZSA-N 331.463 4.222 0 1 EIAF CCCCC[C@H](O)[C@H](O)C[C@@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356388994 CDZGNGSWCSIISG-ZCNNSNEGSA-N 348.483 4.164 0 1 EIAF COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]2CC[C@H]1C3 2356428969 DZNQMARSUVZEMD-OJMPCUAASA-N 334.500 4.181 0 1 EIAF CC[C@H]1C=Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 2356662627 ZTUMQWDWVONOLL-ZDUSSCGKSA-N 336.343 4.055 0 1 EIAF CCc1ccccc1-n1ncc(C(=O)Nc2ccccc2OC)c1C 1018238 MJUBSDWOSSOLNW-UHFFFAOYSA-N 335.407 4.004 0 3 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1ccncc1 27625571 YEAFOWNMNHUOMH-AWEZNQCLSA-N 325.220 4.167 0 1 EIAF Cc1cccc(N2CCN(CCCSc3ccc(F)cc3)CC2)c1 28886597 VMKYEJQJRNWHIR-UHFFFAOYSA-N 344.499 4.439 0 1 EIAF CC[C@]1(C(=O)N[C@@H](C)CCc2ccccc2)[C@H](C)C1(Cl)Cl 29392293 GRWWSKXCVNWJJF-HEHGZKQESA-N 328.283 4.344 0 1 EIAF CCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](O)CO 33832847 USPSDZQQNLMVMK-UBMDLNMFSA-N 340.504 4.306 0 1 EIAF biogenic,in-vitro CN(C(=S)SCc1coc2ccccc2c1=O)c1ccccc1 42920476 ZJMHTFUUEZRJTE-UHFFFAOYSA-N 341.457 4.448 0 1 EIAF O=S(=O)(Nc1cc(-c2ccccc2)cnc1Cl)c1ccccc1 59276018 BKSZOJANUXVKCU-UHFFFAOYSA-N 344.823 4.203 0 1 EIAF CC(C)N1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 72104229 ZFLJQELALKICDL-UHFFFAOYSA-N 329.494 4.374 0 1 EIAF Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCC3)c2)n[nH]1 73164224 SFMYRACATQRKDF-UHFFFAOYSA-N 344.418 4.129 0 1 EIAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3o2)C1 103170219 DHSZHCIIKKMGFH-UHFFFAOYSA-N 332.403 4.379 0 1 EIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 166975874 SFOMOYPGSZRQKX-MRXNPFEDSA-N 343.398 4.097 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3c(cc2[nH]1)OCO3 587010767 BMGGFBQLGDAOEI-UHFFFAOYSA-N 349.415 4.314 0 1 EIAF COc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587016688 AHOMOCYZUQXKGL-UHFFFAOYSA-N 349.415 4.297 0 1 EIAF Cc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c(C)n1 587018213 YPPBZTLQYXYXQI-UHFFFAOYSA-N 348.431 4.300 0 1 EIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587170123 JHASWYGNOUJFCX-HWPZZCPQSA-N 344.415 4.322 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](N)CC3)c1 587363495 RUGJLMKZNQFOKH-CQSZACIVSA-N 344.414 4.473 0 1 EIAF CC1(c2nc3nc(O)nc(O)c3cc2Cc2ccccc2)CCCCC1 587562228 SKFKFXVQOKXRHR-UHFFFAOYSA-N 349.434 4.249 0 1 EIAF CCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587759262 ZTWGOYLWUKZONI-QLJPJBMISA-N 337.236 4.033 0 1 EIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2cccc(F)c2)N1c1ccc2nc[nH]c2c1 1772605939 AXGOBNZDSAVKKO-QKLQHJQFSA-N 345.377 4.148 0 1 EIAF CCN(CC)CCc1ccc(OC)c(OCCc2ccccc2)c1 5848241 SGOYTGAINKUTPS-UHFFFAOYSA-N 327.468 4.201 0 1 EIAF investigational COc1ccccc1CC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579699 WEAGDQJKIPGCKZ-LJQANCHMSA-N 345.870 4.182 0 1 EIAF CC[C@@H](Nc1ccc(-c2nc(CC(C)C)no2)cn1)c1ccncc1 39399631 VKYXWXYRTJADDP-MRXNPFEDSA-N 337.427 4.288 0 1 EIAF CC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OC(C)C)cc2)s1 43196151 DOEHILRVOYNJGO-KADSFNECSA-N 346.452 4.260 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101152265 RJSPORZIBKRWHU-BWTSREIZSA-N 340.423 4.048 0 1 EIAF CCCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 103189221 KJLIPPRJNJGLDN-UHFFFAOYSA-N 347.890 4.299 0 1 EIAF COC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1 169312960 CBYFXCNUWJGQKP-UHFFFAOYSA-N 331.371 4.393 0 1 EIAF O=C1c2ccc(COc3ccccc3)nc2CCN1c1ccc(F)cc1 169325472 ZGDYNIFWSYGQCF-UHFFFAOYSA-N 348.377 4.003 0 1 EIAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1c(F)cc(F)cc1F 169354015 SNIASFGBEUHNOR-ZPUQHVIOSA-N 347.292 4.041 0 1 EIAF O=S(=O)(Cc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1 586921081 BYHMCNQUEOIZPJ-UHFFFAOYSA-N 348.427 4.204 0 1 EIAF Clc1cccc(/C=C/c2nc3c(Cl)ncnc3[nH]2)c1Cl 587054165 MABPLNFSENBWKV-SNAWJCMRSA-N 325.586 4.484 0 1 EIAF Cc1ccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1C(F)(F)F 587095786 UZDJWRYQAJRNTD-UHFFFAOYSA-N 346.312 4.063 0 1 EIAF Cc1ccc2c3c(cc(C[C@@H]4CCCCN4)nc13)-c1ccccc1C2=O 587097519 QDAZICMUUOHDCO-HNNXBMFYSA-N 342.442 4.439 0 1 EIAF Cc1nc2c(C)ccc3c2c(c1[C@H](C)C(=O)O)-c1ccccc1C3=O 587099965 BOLQTEXYVYRPLN-NSHDSACASA-N 331.371 4.251 0 1 EIAF O=C(CCc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1 587164029 XOCIYXLJPCMSLJ-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF Cc1cc(Br)cc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177604 PXOGQQMJNXWJEJ-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF O=C(O)CC1=C(c2ccccc2)Cc2c1nc1cccc3c1c2CC3 587215205 JIXAWYSQZOATMX-UHFFFAOYSA-N 327.383 4.275 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 587353777 OWVPNIZRFLVZGT-ZIQMYBNXSA-N 338.378 4.449 0 1 EIAF Cc1ccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)co2)cc1 587394701 ZDNJEQPCYITJRD-SFHVURJKSA-N 334.375 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(Cl)cc1C)[C@@H](C2)C3=O 587417588 CKUQCSNEKDDFCA-IFXJQAMLSA-N 328.795 4.454 0 1 EIAF C[C@@H]1CC(C)(C)CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523956 JLDFCFYYWNBXTB-ASSNKEHSSA-N 326.436 4.295 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530873 WHLKGZBMPRSOQE-NPFVIJTESA-N 338.447 4.295 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCCCCC(=O)O)N1 962950456 NFUAVQJWIUTXQE-XOBRGWDASA-N 328.456 4.343 0 1 EIAF COc1cccc2cc3c(nc12)[C@H](c1c[nH]c2cc(F)ccc12)NCC3 963049733 ALMZGPGSOVBKRO-NRFANRHFSA-N 347.393 4.099 0 1 EIAF O=Cc1ccc2[nH]cc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)c2c1 963092255 KAYGOYCCGAPQRD-IIBYNOLFSA-N 334.394 4.229 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]12COc1c(cccc1OC)C2 963240621 KXMLLHVZVHSLMX-AOMKIAJQSA-N 337.463 4.182 0 1 EIAF COc1ccc([C@@H]2CC[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857577439 TVVULHQQZQSLNZ-GJZGRUSLSA-N 344.407 4.088 0 1 EIAF CCC(=O)c1cc(C)c2c(c1)C(=O)[C@](C)(C=C(C)[C@H](O)[C@H](C)CC)O2 2356676378 RTTRWDZCXCRSLT-ICNNEYJISA-N 344.451 4.275 0 1 EIAF O=C(Nc1c(O)n[nH]c1-c1ccc(Cl)cc1)c1ccccc1Cl 95567732 UJCFBGISVBUDCJ-UHFFFAOYSA-N 348.189 4.341 0 3 EIAF O=C1Nc2ccccc2/C1=C\c1c(-c2ccccc2)nc2n1CCS2 5800880 CZRPIVSYORGKSF-NTCAYCPXSA-N 345.427 4.149 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@H]1O2 13609155 JZMKNXICJRCGJX-HKUYNNGSSA-N 325.364 4.002 0 1 EIAF S=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1 13680261 NGJPMRLICDBXEP-UHFFFAOYSA-N 335.432 4.470 0 1 EIAF CC(C)=CCC/C(C)=C/CCC[C@H](P(=O)(O)O)[P@](C)(=O)O 13742056 PNXHNOHUDILHSH-SSUFTNFISA-N 338.321 4.253 0 1 EIAF C/C=C\[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954205 WHWHOCJFHMCYEE-QUCGXOGASA-N 325.117 4.196 0 1 EIAF CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3cscc32)CC1 29342112 GQPZDRAJLVVZDL-UHFFFAOYSA-N 347.871 4.223 0 1 EIAF CC(C)S(=O)(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 71329353 HOLGNEWOUBEKAT-UHFFFAOYSA-N 335.812 4.330 0 1 EIAF CC1(C)C=Cc2c(cc3oc(-c4ccccc4)c(O)c(=O)c3c2O)O1 95553730 RFRPOLOEORGLAB-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF COc1ccc(OC)c(/C=C/c2nnc(Nc3ccccc3)s2)c1 103193611 NVEUUIYKJAMWOV-DHZHZOJOSA-N 339.420 4.469 0 1 EIAF CSc1nc2c(Cl)cccc2c(=O)n1-c1c(F)cccc1F 103287327 FMZVPPVUEAUKIZ-UHFFFAOYSA-N 338.766 4.039 0 1 EIAF Oc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc2c1CCCC2 586899356 YWAPNRMAJMAGSB-UHFFFAOYSA-N 336.288 4.371 0 1 EIAF Clc1ccc(-n2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)nn2)cc1 587075510 JUYYDYDMGKQFDQ-UHFFFAOYSA-N 349.825 4.343 0 1 EIAF CCO[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587107773 VQIZOTFPJMDQHV-ZDUSSCGKSA-N 329.399 4.340 0 1 EIAF Fc1cc(Cc2nc3cnc(Cl)[nH]c-3n2)ccc1-c1ccccc1 587145709 PDSOFBAZQXBKOG-UHFFFAOYSA-N 338.773 4.355 0 1 EIAF Fc1ccc(/C=C\c2nc3ccc(Br)nc3[nH]2)c(F)c1 587148020 FBQWCYOCBMDQCN-KXFIGUGUSA-N 336.139 4.169 0 1 EIAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 587151451 ZSGJEGFXTCIHOX-RQOWECAXSA-N 325.240 4.425 0 1 EIAF CN(C)c1ncccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587196478 WUBFTGPSHYBCGZ-UHFFFAOYSA-N 340.736 4.363 0 1 EIAF CC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426821 QFWCXVFEDKWDPH-YJYMSZOUSA-N 330.330 4.026 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C)cc31)CC2=O 587478552 HVCVUBAMFCTZMH-FQEVSTJZSA-N 326.392 4.443 0 1 EIAF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc(F)ccc12 587633874 MKSNRUGLUVJOQR-UHFFFAOYSA-N 337.272 4.102 0 1 EIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771447 LRMANUDOJUGTTR-DIFFPNOSSA-N 349.247 4.224 0 1 EIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587936260 KFOYOTFQNTWTAS-DIFFPNOSSA-N 330.815 4.370 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587962540 FJPBVDKPCKBLHM-MRVPVSSYSA-N 332.347 4.218 0 1 EIAF Cc1nn(-c2ccccn2)c2cc(-c3ccc(CC(=O)O)cc3)ccc12 1772630701 LWMUYLJBRJJZLV-UHFFFAOYSA-N 343.386 4.023 0 1 EIAF COc1ccc(-c2oc3c(OC)c(OC)cc(C)c3c(=O)c2C)cc1 2356340212 JZBCXFZTBMONAA-UHFFFAOYSA-N 340.375 4.103 0 1 EIAF O=C1Nc2ccccc2[C@@]12O[C@H](COc1ccccc1)CC1=C2CCC1 36381974 FXGPKUFCWFCRPI-HTAPYJJXSA-N 347.414 4.182 0 3 EIAF COc1cccc([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)c1 61904290 DSMINOJICCZECG-FQEVSTJZSA-N 330.387 4.320 0 3 EIAF Oc1ccc([C@@H]2CN(Cc3ccccc3)Cc3cc(O)ccc32)cc1 12353821 XAKRCNHCOCHVRY-QFIPXVFZSA-N 331.415 4.246 0 1 EIAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 26164963 HGTRMITWQDVSJK-UHFFFAOYSA-N 340.349 4.380 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccccc3)c2)C[C@@H]2CC[C@H]1N2C 26183114 GDTWDHOANPFJQI-DOIPELPJSA-N 335.447 4.093 0 1 EIAF S=c1sc(Nc2ccc(Br)cc2)nc2[nH]ncc12 34433037 IVIYXRQJQTVGSH-UHFFFAOYSA-N 339.243 4.255 0 1 EIAF COc1cc(/C=C/Cc2cc(O)c3occc3c2)cc(OC)c1OC 40566046 XDDQBBHDQPXTQX-GQCTYLIASA-N 340.375 4.420 0 1 EIAF CCOC(=O)c1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1 45303161 UYOHTCCLXICITI-UHFFFAOYSA-N 349.390 4.364 0 1 EIAF FC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 73169212 IBFFGCSUILIKLO-IBGZPJMESA-N 329.390 4.358 0 1 EIAF CN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 84602105 GLMHBBRYAOYZOE-UHFFFAOYSA-N 347.802 4.274 0 1 EIAF CC(C)CNc1nccnc1Oc1ccc(Nc2ccccn2)cc1 139196459 BTEQBLZHCLSRGE-UHFFFAOYSA-N 335.411 4.475 0 1 EIAF COC(=O)[C@]12CC[C@]3(C)CC[C@](C)(O)C=C[C@@H]3[C@H]1CC[C@@H]2C(C)C 263639047 YRWFATJGYPJDRM-UVDNHOMYSA-N 334.500 4.345 0 1 EIAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 586896063 IKPKPDARCUXVEW-UHFFFAOYSA-N 335.329 4.248 0 1 EIAF Cc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587044441 XAASGGRKVAZNBG-UHFFFAOYSA-N 343.477 4.324 0 1 EIAF Cc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2n1 587048696 LVJABGRCFCEJSD-UHFFFAOYSA-N 328.803 4.181 0 1 EIAF N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1Cl 587058485 WFOAQEBXAKBYQR-SNVBAGLBSA-N 342.176 4.390 0 1 EIAF COc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c(F)c1 587148140 BSSLYAFLQYXLPS-UHFFFAOYSA-N 326.158 4.003 0 1 EIAF Fc1ccc(/C=C\c2nc3cc(Br)cnc3[nH]2)c(F)c1 587148171 FZLNOWIIBPPGRZ-RQOWECAXSA-N 336.139 4.169 0 1 EIAF Nc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc2c1 587251501 GZJPAJPBXSXTDS-UHFFFAOYSA-N 339.301 4.287 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(C(C)C)O2 587381343 HLGHGJYOLGAIKZ-IBGZPJMESA-N 331.362 4.372 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)c1ccc(OC)cc1)CC2=O 587476196 FDETYURWZZTZOI-ZUOKHONESA-N 340.419 4.491 0 1 EIAF COc1ccc2c(c1)[C@]1(CCN2)CC(=O)c2ccc3c(c2O1)CCCC3 587522419 FTESKGCDVBBOJV-QFIPXVFZSA-N 349.430 4.250 0 1 EIAF COc1cccc([C@H](C)Cc2nc3ccnc(Br)c3[nH]2)c1 587931314 NKTLNGLJCQYWSM-SNVBAGLBSA-N 346.228 4.075 0 1 EIAF COc1ccc2cc([C@@H](C)c3nc4cc(OC)ncc4[nH]3)ccc2c1 587934300 JANDPSPTBKDTJL-GFCCVEGCSA-N 333.391 4.280 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 587951692 ISDONQQVGSHMGE-ZENOOKHLSA-N 330.428 4.396 0 1 EIAF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)cc1OCC(C)C 962303823 WPWSUFZDOMKPOS-NRFANRHFSA-N 343.442 4.413 0 1 EIAF CCCCCCc1ccc([C@@]2(C)c3c(cnn3C)CCN2C)cc1 963954882 MTNBPQQVAFTAHQ-NRFANRHFSA-N 325.500 4.294 0 1 EIAF COC(=O)c1ccc(/C=C/CN(C)Cc2cccc3cc[nH]c23)cc1 1772582509 QUJUFHYLSOODQH-SNAWJCMRSA-N 334.419 4.100 0 1 EIAF NCc1cc(=O)c2ccc(OCc3cc4ccccc4s3)cc2o1 1857550551 OTWFNHIDGONLNY-UHFFFAOYSA-N 337.400 4.045 0 1 EIAF CC=C(C)c1cc(O)c(C)c(OC(=O)c2c(C)cc(O)cc2O)c1 2356324040 OVJRTDOGXSNLMB-UHFFFAOYSA-N 328.364 4.063 0 1 EIAF CC(C)N(C(=O)c1ccc(Cc2cn(C)c3ccccc23)nc1)C(C)C 61898519 PQZCDMVIGZUZMO-UHFFFAOYSA-N 349.478 4.423 0 3 EIAF O=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1ccccc1 3942295 BMXYEXPMZDKGCR-UHFFFAOYSA-N 343.361 4.101 0 1 EIAF Cc1noc(C)c1-c1ccc2ncnc(N(C)Cc3ccco3)c2c1 4268152 ZSIIVCZRLGNNHQ-UHFFFAOYSA-N 334.379 4.131 0 1 EIAF CC(=O)[C@@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26386061 YUEVEZWXYBGVTF-QUQRCOSLSA-N 345.527 4.301 0 1 EIAF c1ccc2cc(CCO[C@H]3CCCC[C@H]3N3CCOCC3)ccc2c1 38493581 NWPBCZNZFCURCH-YADHBBJMSA-N 339.479 4.042 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccccc3)CC1)C2 40980983 DHFQWVUXNCCHPG-UZKOGDIHSA-N 326.528 4.455 0 1 EIAF Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N[C@@H]1CCCC[C@]31C 49802048 CKEHLASBWDDIJA-NVXWUHKLSA-N 336.357 4.183 0 1 EIAF O=C(Nc1cncc(Oc2cccnc2)c1)c1cccc(Cl)c1 68267022 CXLDVNGGEFBOLV-UHFFFAOYSA-N 325.755 4.175 0 1 EIAF CN1CCC[C@@H]1CCn1ccc2cc(NC(=N)c3ccco3)ccc21 72105269 SYMMSZFEDSWPQN-QGZVFWFLSA-N 336.439 4.156 0 1 EIAF CCc1cccc2ccn(C[C@@H](O)CSc3ccc(F)cc3)c12 84688384 PXVWRKMZKPWYRA-QGZVFWFLSA-N 329.440 4.496 0 1 EIAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 101644896 ZVQCTZVWEBSXKK-AERCQKQUSA-N 335.447 4.082 0 1 EIAF in-vitro CCc1nn(C)c(C2=N[C@@H](c3ccc(C(C)(C)C)cc3)CO2)c1Cl 103170593 DKCYXYKEDGFMOH-OAHLLOKOSA-N 345.874 4.452 0 1 EIAF CC1(C)[C@@H]2C[C@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)[C@@](C)(O)C[C@H]21 195464919 VTOLOYGWYKBTJJ-VVACZEMCSA-N 338.557 4.091 0 1 EIAF CCC(=O)N[C@@H]1CCCc2c(-c3cc(F)c(F)cc3F)cncc21 205717008 XBIIVZQGMZWYPK-QGZVFWFLSA-N 334.341 4.070 0 1 EIAF COc1cc(OC)c2c(c1OC)[C@@H]1C=C(C(C)C)C[C@H]3CO[C@@H]2[C@]31C 299859945 ZGQMUEAEHZNHCF-MFRYECHYSA-N 344.451 4.490 0 1 EIAF Cc1ccnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587013411 VMCNUPFGGPXRPO-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Brc1cc2nc(CSCc3ccsc3)[nH]c2cn1 587028064 VPGATAJEHWISJD-UHFFFAOYSA-N 340.271 4.215 0 1 EIAF CCOC(=O)Cc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587042840 NGTSPHDWKMMGNR-KRWDZBQOSA-N 338.432 4.058 0 1 EIAF FC(F)(F)c1ccc2ncc(-c3nc4cnc(Cl)[nH]c-4n3)cc2c1 587111882 ILRYERIXTPAPOM-UHFFFAOYSA-N 349.703 4.192 0 1 EIAF COc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1OC 587152332 LWMDAEMDBAOANC-WDEREUQCSA-N 330.334 4.129 0 1 EIAF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391970 VFZBVWVMCAVGAL-FQEVSTJZSA-N 332.403 4.383 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(C(C)(C)C)c1O)[C@@H](C2)C3=O 587450043 LWSOJPIQOCXQQY-VBKZILBWSA-N 338.403 4.187 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc[nH]c3nccc1-3)CC2=O 587479636 CLYBCNYFLXFUGA-HXUWFJFHSA-N 336.391 4.053 0 1 EIAF C[C@@]1(c2ccc3[nH]ncc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523213 HJKUIAPPIDRAPR-NRFANRHFSA-N 332.403 4.322 0 1 EIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 587787993 YNWOPTGYEIJHBN-LSDHHAIUSA-N 340.810 4.468 0 1 EIAF C[C@H](O)CCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587826346 AIFBHLYGWOLUEO-UHIISALHSA-N 344.268 4.105 0 1 EIAF Cc1ccoc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587829000 POWHZBPHZLSGFX-QFYYESIMSA-N 338.220 4.287 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCSCC2)N1 587853575 AIPMXOJOJXJZQK-VFZGTOFNSA-N 344.293 4.307 0 1 EIAF N=c1[nH]n(C2CCCC2)cc1-c1nc(-c2cc(F)ccc2F)cs1 587922186 LBXUSSXWAGSAMP-UHFFFAOYSA-N 346.406 4.479 0 1 EIAF COc1ccc(CCCc2nc3cccc(Cl)c3[nH]2)c(OC)c1 587928512 HZMZOMDMZTXHEE-UHFFFAOYSA-N 330.815 4.409 0 1 EIAF CCOC(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 587929988 DYNAIJPYPRVEIY-ZDUSSCGKSA-N 338.407 4.094 0 1 EIAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12 653711545 QSZJTZCAUSDFGT-OAQYLSRUSA-N 341.414 4.069 0 1 EIAF Cc1sc2c(c1C)CCN[C@]2(c1c(N)sc2c1CCC2)C1CC1 963007272 HTQPUAWWUBYMPG-IBGZPJMESA-N 344.549 4.297 0 1 EIAF COc1cccc([C@H](CC2=CCCCC2)NC(=O)C(F)(F)F)c1 36381916 FLQOESCOOOPHJC-HNNXBMFYSA-N 327.346 4.305 0 3 EIAF O=C1CC(c2ccccc2)CC(=O)N1c1ccc(C(F)(F)F)cc1 36387631 RIUDGRIDBMLILZ-UHFFFAOYSA-N 333.309 4.143 0 3 EIAF COCc1cccc(-c2csc([C@](C)(O)c3cccc(F)c3)n2)c1 61906482 JSCUJQASQSTCGF-LJQANCHMSA-N 343.423 4.351 0 3 EIAF Nc1[nH]c2cc(Cl)ccc2c1C(=O)NCCc1ccc(Cl)cc1 203467039 UOBWYIQJOLIMBF-UHFFFAOYSA-N 348.233 4.029 0 3 EIAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4ccccc43)cc12 3805716 ZFPVOBQMGRHOBJ-MRXNPFEDSA-N 330.435 4.144 0 1 EIAF O=C(c1cccc(Cc2ccccc2)c1)c1ncc2cccnc2c1O 6580963 KOIRVGGHXVYBOP-UHFFFAOYSA-N 340.382 4.157 0 1 EIAF CCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13445093 WJKZPQAZBFHHAD-UHFFFAOYSA-N 336.226 4.077 0 1 EIAF CCC(=O)NCCCc1cc2c(OC)cccc2n1-c1ccccc1 13863804 WQPYZIXOHIRKBK-UHFFFAOYSA-N 336.435 4.098 0 1 EIAF COc1ccc2c(c1O)CCc1cc(O)c(C)c3c1[C@@H]2CC(C)(C)O3 14724878 PXUNBQVWLWLIHU-OAHLLOKOSA-N 340.419 4.206 0 1 EIAF biogenic c1ccc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)nc1 19328102 VZXICYSIGYOTKX-FCEUIQTBSA-N 344.462 4.029 0 1 EIAF C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1C 22930231 QDBZAAWPKCEIBY-HDICACEKSA-N 335.495 4.209 0 1 EIAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccccc3)O2)cc1 28768171 CNTTWQOWWZEXEQ-RTBURBONSA-N 340.810 4.178 0 1 EIAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C 34059293 UINDYEKBRZRPSX-BLECZNCFSA-N 332.484 4.469 0 1 EIAF CCc1cc(Cl)cc2[nH]c(O)c(-c3cccc(NC)c3)c(=O)c12 42921276 ODXMHHPLZFLZEV-UHFFFAOYSA-N 328.799 4.158 0 1 EIAF OCc1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45339011 NIBBSZDCZSIRFX-FQEVSTJZSA-N 327.387 4.237 0 1 EIAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(O)cc1 68245901 JSBOHMYHRMOLNZ-BBRMVZONSA-N 338.403 4.159 0 1 EIAF CCc1c[nH]nc1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1 71334183 OTSYWSKJDYYMGO-UHFFFAOYSA-N 329.407 4.102 0 1 EIAF Oc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N1CCCC1)CC2 88261080 ZWYPYSDMZGMNEO-SFTDATJTSA-N 325.427 4.268 0 1 EIAF CCNC(=O)Nc1nc2ccc(-c3ccc(OC)cc3)cc2s1 95602143 YXFSUXNLIRZTOP-UHFFFAOYSA-N 327.409 4.113 0 1 EIAF Nc1ccc(-c2nnc3n2-c2ccccc2Nc2ccccc2-3)cc1 96173953 SFNNXJCYISJXNW-UHFFFAOYSA-N 325.375 4.241 0 1 EIAF O=C(NCc1ccccc1)c1nc(-c2ccccc2)c2ccccc2n1 169347414 BLVYXNZVSWYXCU-UHFFFAOYSA-N 339.398 4.227 0 1 EIAF O=C(O[C@@H](c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccccc1 206927222 XXXHDRXZALCTPU-INIZCTEOSA-N 336.218 4.111 0 1 EIAF O=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1 299854989 ATXCUHQQKQDIBW-UHFFFAOYSA-N 345.442 4.050 0 1 EIAF O=Cc1ccc(OCc2occc2-c2nc3cccc(F)c3[nH]2)cc1 586900042 AASGXZZTLYQVNW-UHFFFAOYSA-N 336.322 4.354 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587062047 NXMIDHNLRMPBQM-AWEZNQCLSA-N 342.786 4.328 0 1 EIAF CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1 587168305 FIVPALDOTWBGBV-LLVKDONJSA-N 328.343 4.019 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O 587423457 JWKDCHWBTAKDCR-SGTLLEGYSA-N 332.758 4.151 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(F)c1)[C@@H](C2)C3=O 587425478 DFXSHMIEXBPZLB-SGTLLEGYSA-N 332.758 4.151 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1oc4ccc(F)cc4c1C)[C@@H](C2)C3=O 587429348 UIZWBXITRKKEAV-XOBRGWDASA-N 338.334 4.378 0 1 EIAF CCC[C@H](C)OC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521032 HSKUHKNVCBPRKH-QKKBWIMNSA-N 344.451 4.411 0 1 EIAF Oc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622500 OJGQCNBVRKTPPS-UHFFFAOYSA-N 346.159 4.318 0 1 EIAF CS(=O)(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587630859 RNWGDAFSHUZJGO-UHFFFAOYSA-N 341.766 4.170 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2)N1 587736989 VFHUJUUNHGMYGK-XXFAHNHDSA-N 338.195 4.351 0 1 EIAF CCC[C@@]1([C@@H](CC)C(=O)OC)c2cc(OC)ccc2CCN1C(C)C 962094812 XQVASTKSNMQWQE-GHTZIAJQSA-N 347.499 4.156 0 1 EIAF Cc1cc2c(cc1F)[C@]1(CCCOc3cc4c(cc31)CCC4)NCC2 962369650 ADBJKZMDPBJXHZ-QFIPXVFZSA-N 337.438 4.185 0 1 EIAF CN(CCCCC(=O)Nc1ccc(O)c2ncccc12)c1ccccc1 1857539950 MITKSCUVAGRGHG-UHFFFAOYSA-N 349.434 4.186 0 1 EIAF CO[C@H](C=C(C)C)CC(C)=CCOc1ccc2ccc(=O)oc2c1 2356349241 ZKUVESFSLKJZMT-GOSISDBHSA-N 328.408 4.489 0 1 EIAF CC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccc(Cl)cc1 5408084 VDDDOODFGBOSOH-UHFFFAOYSA-N 339.778 4.066 0 3 EIAF aggregator O=C(C1CCCCC1)N1CCC(CO)(Cc2ccccc2Cl)CC1 11762983 VCOQBSCHVSWESY-UHFFFAOYSA-N 349.902 4.064 0 3 EIAF COC[C@H]1O[C@]2(c3ccccc3)CO[C@H]1[C@@H](/C=C/c1ccccc1)C2 36381877 ODBOCRLDKFDGTG-PYQLYVEBSA-N 336.431 4.046 0 3 EIAF COc1ccc2c(c1)C[C@H](CC1CCN(Cc3ccccc3)CC1)C2=O 3789950 JTEWUJTVAGRGLE-FQEVSTJZSA-N 349.474 4.353 0 1 EIAF N[P@@](=O)(OCCCc1ccccc1)Oc1ccc(Cl)cc1 12473118 BQWSSVDFXIXEPN-OAQYLSRUSA-N 325.732 4.435 0 1 EIAF CCCN1CCC(N2C(=O)Nc3ccccc3[C@H]2c2ccccc2)CC1 13553576 LBJLKKZIYBTBFG-OAQYLSRUSA-N 349.478 4.498 0 1 EIAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@]1(C)O)C2 15221170 CSMYUTLLPHMJQJ-SLFFLAALSA-N 332.440 4.252 0 1 EIAF biogenic O[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)CN2CCCC[C@H]2CO1 58546979 WPRGWNSLSGTMRS-PMACEKPBSA-N 343.854 4.037 0 1 EIAF Cc1ccc(-c2c(/C=C/C(=O)O)c(C)nc(CC(C)C)c2CN)cc1 66074524 YOMIKMNSFZSSMV-MDZDMXLPSA-N 338.451 4.120 0 1 EIAF Clc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1Cl 66079059 WEGHHPFXCHFJFR-UHFFFAOYSA-N 344.205 4.177 0 1 EIAF O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccccc1 71316464 KYIRTINSQJIXMY-UHFFFAOYSA-N 339.394 4.166 0 1 EIAF CN1CCC[C@H](n2ccc3cc(NC(=N)c4ccco4)ccc32)CC1 72106005 AQZLAGDISZJXEM-KRWDZBQOSA-N 336.439 4.329 0 1 EIAF CCCCN(CCCC)CCCNCc1coc(-c2ccco2)n1 72182960 IYWAAANVHCLDKG-UHFFFAOYSA-N 333.476 4.317 0 1 EIAF Cc1ccc(NC(=O)c2cc(-c3ccncn3)nc3ccccc23)cc1 95577745 NWIVQDQGTQYEGZ-UHFFFAOYSA-N 340.386 4.253 0 1 EIAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@@H]32)cc1 98084642 GLTUZRFWHMGGER-IEBWSBKVSA-N 337.810 4.178 0 1 EIAF NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1 103246787 WGDSBVBJLQAKOZ-UHFFFAOYSA-N 326.248 4.301 0 1 EIAF CS[C@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 169292296 MWAUZLNCUAEKNR-XTBFLFJDSA-N 340.897 4.313 0 1 EIAF Cc1ccc2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1 169334046 AEUYRDUBSFOYNV-MLGOLLRUSA-N 338.373 4.128 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 586910656 IYRHLBCOQNEXCY-KWQFWETISA-N 327.197 4.137 0 1 EIAF Cc1ccc(NC(=O)CSCCc2nc3cccc(C)c3[nH]2)cc1 586970546 MHCRUJMTBMDLKI-UHFFFAOYSA-N 339.464 4.094 0 1 EIAF CCN(CC)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988597 NQZHQINFLQRRLU-UHFFFAOYSA-N 346.430 4.036 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(C)o3)s1)O2 587412590 JKKJVOCUSYAFJC-HNNXBMFYSA-N 340.404 4.309 0 1 EIAF CCCCOc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444086 XYCKTPNQDRTNSE-IERDGZPVSA-N 338.403 4.363 0 1 EIAF O=C1C[C@H](c2cc(C(F)(F)F)n[nH]2)Oc2c1ccc1c2CCCC1 587506456 JSFHOSITSQEDPZ-CQSZACIVSA-N 336.313 4.014 0 1 EIAF CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CC2)n1 587513987 CTKSUAMDBFIZOQ-IBGZPJMESA-N 336.435 4.366 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614794 ULQYAEFDYWMVNE-QFBILLFUSA-N 338.384 4.465 0 1 EIAF FC1(F)Oc2cc3nc(COC/C=C\c4ccccc4)[nH]c3cc2O1 587781942 ZOSUDXOCGRKHFY-DAXSKMNVSA-N 344.317 4.114 0 1 EIAF COc1cccc(C)c1-c1nc2ccc(Br)c(O)c2[nH]1 587786145 HYTPATHOVVYABZ-UHFFFAOYSA-N 333.185 4.015 0 1 EIAF C/C=C1/NNC(=O)C(c2nc(-c3cccc(Cl)c3)cs2)=C1CC 587920383 JBMAGMDLNARHJJ-YIXHJXPBSA-N 345.855 4.165 0 1 EIAF COc1ccc(OC)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1OC 587926669 KTHPCCQGKCZVER-UHFFFAOYSA-N 338.407 4.135 0 1 EIAF CCOC(=O)C1(C)CCC2(CC1)c1ccc(F)cc1C[C@H]1CCCN12 963086728 BXXBABWKMHZDAM-MDMXATFFSA-N 345.458 4.185 0 1 EIAF O=C(O)CCCOc1ccc(-c2ccccc2OC(F)(F)F)cc1 1772640345 QLHVQWAXLGROAL-UHFFFAOYSA-N 340.297 4.496 0 1 EIAF Cc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1C 1857618806 UGJJXYVLDLTGQM-UHFFFAOYSA-N 329.403 4.172 0 1 EIAF COc1cc2c(cc1Br)C(=O)C[C@@H](c1ccccc1)O2 2356284628 NMDLIHWYHLKIGZ-AWEZNQCLSA-N 333.181 4.164 0 1 EIAF CCCCCC=CCC=CC[C@H](O)[C@@H](O)CC=CCCCC(=O)O 2356594551 DCJBINATHQHPKO-OALUTQOASA-N 338.488 4.382 0 1 EIAF CCCC[C@H](O)CCCCCC[C@@H](C=CC(=O)O)Nc1ccc[nH]1 2356773162 SDJJYRRYCKOQMA-IRXDYDNUSA-N 336.476 4.328 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1F 61903862 IIVAHBDDJWBRRO-HXUWFJFHSA-N 348.377 4.459 0 3 EIAF COc1cc(Nc2nc3ccccc3n3cccc23)cc(OC)c1OC 1864330 RJZINLKYNXMNPF-UHFFFAOYSA-N 349.390 4.257 0 1 EIAF COc1cc2[nH]c(-c3ccccc3C)cc(=O)c2cc1-c1cnco1 13487583 DUNKXBQFIBTFTD-UHFFFAOYSA-N 332.359 4.167 0 1 EIAF COC(=O)[C@H](C)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 14588292 YWRLUOURIMRHED-LRTDBIEQSA-N 344.451 4.491 0 1 EIAF biogenic O=C(c1cccnc1)n1c(-c2cccc(Cl)c2)nc2ccccc21 40404385 UTZXCWWPAROZQP-UHFFFAOYSA-N 333.778 4.440 0 1 EIAF CCN(CC)CCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O 73336877 LMQYQUSRKVTVDW-UHFFFAOYSA-N 345.446 4.200 0 1 EIAF Oc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)s2)c(O)c1 95591765 PBCQAAJDSLTJNM-UHFFFAOYSA-N 338.310 4.302 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1ccccc1Oc1ccccc1)C2 100869751 XOFRBQUZZFTWNB-HZPDHXFCSA-N 337.419 4.261 0 1 EIAF CC(C)OC(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144697328 ULVRUGWIWBSRQR-KRWDZBQOSA-N 336.309 4.030 0 1 EIAF Cc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12 147229229 IEDBHAALQSYAKF-UHFFFAOYSA-N 327.384 4.190 0 1 EIAF CC(C)=CCCC1=CC[C@@H](/C(C)=C/CCC2=CCOC2=O)OC1=O 238738764 PRLXHEUKWIVTBJ-APSGNOSNSA-N 330.424 4.184 0 1 EIAF Cc1nn(-c2ccc(C(F)(F)F)cc2)c2c1c(=O)oc1ccccc12 299824719 HJWQHUKFHOUQIY-UHFFFAOYSA-N 344.292 4.459 0 1 EIAF O=C1N[C@H](c2ccccc2)CC(O)=C1Sc1ccccc1Cl 299832730 KHNDKFGFIXWFLP-ZDUSSCGKSA-N 331.824 4.463 0 1 EIAF Cc1c(-c2nc3ccc(Cl)nc3[nH]2)cnn1-c1ccc(Cl)cc1 587076215 QLPQTATXIKPQPJ-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCCO3 587109412 JEWOIRURFQWGBH-UHFFFAOYSA-N 338.260 4.159 0 1 EIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)cc2[nH]1 587163922 OWFALFJGPAEWDA-OAHLLOKOSA-N 348.219 4.116 0 1 EIAF c1ccc(Cc2c([C@@H]3CCCNC3)nc3cccc4c3c2CC4)cc1 587212555 SRFBJZAWUXBMHK-GOSISDBHSA-N 328.459 4.391 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1ccc(C)cc31)O2 587396012 IIWADOLYKCMTQC-OAQYLSRUSA-N 332.403 4.174 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccn3)s1)O2 587409626 ITOVPVLKMROPGX-MRXNPFEDSA-N 336.416 4.407 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(C(C)C)cccc31)O2 587412317 MZVOGAWJRJBAOR-NRFANRHFSA-N 337.419 4.344 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCCCC1)[C@@H](C2)C3=O 587442234 HXOAPJQKBBFRHW-HTAPYJJXSA-N 349.430 4.174 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1Cc1ccccc1)[C@@H](C2)C3=O 587448175 ZVKGCPZIVWVFTN-TVTNDZMWSA-N 334.415 4.224 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4ccccc4c1O)[C@@H](C2)C3=O 587449228 INJCPFKTXLUUGP-KKSFZXQISA-N 332.355 4.043 0 1 EIAF CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cncn1 587627711 JEICLPMBNFQWIO-UHFFFAOYSA-N 348.250 4.349 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587785719 OIHOGMLTUBLBFK-CHWSQXEVSA-N 326.783 4.160 0 1 EIAF CCN(CC)C(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2 366718 WINJZXVPRAIRQT-UHFFFAOYSA-N 330.431 4.482 0 3 EIAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3)nnc1-2 21899 WHTVLUBBPXQFPV-UHFFFAOYSA-N 333.439 4.042 0 1 EIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N(C)C 4295639 RVGPATLOLUZPGU-OALUTQOASA-N 346.471 4.187 0 1 EIAF CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)c(OC)c1 13451187 FIXGYYFKMFZXRM-UHFFFAOYSA-N 338.407 4.134 0 1 EIAF C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@@H]1C[C@H]2CC[C@@H]1C2 27213658 JJDFSKYVEMOTAE-ORFRNNEJSA-N 329.532 4.137 0 1 EIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)[C@@H]3CCCCN3)c2c1 27523962 HATYYHRAZIDOHD-WMLDXEAASA-N 338.373 4.046 0 1 EIAF COC(=O)c1ccc(-c2nn(-c3ccccc3)c3cc(C)oc23)cc1 28713396 SXPSWACCILTOQK-UHFFFAOYSA-N 332.359 4.381 0 1 EIAF Cn1c(C(=O)CCCCCCc2ccccc2)nnc1-c1ccccn1 40395800 YGRAFOSLEWCTMP-UHFFFAOYSA-N 348.450 4.253 0 1 EIAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)C1CCCCC1 43200755 BGKNARSAMJTTCY-FQEVSTJZSA-N 343.373 4.489 0 1 EIAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1ccccc1Oc1ccccc1)C2 100869753 XOFRBQUZZFTWNB-HOTGVXAUSA-N 337.419 4.261 0 1 EIAF CCc1cc2c(s1)Nc1ccc(Cl)cc1N=C2N1CCNCC1 101109545 RESZQIPUAOYLIQ-UHFFFAOYSA-N 346.887 4.004 0 1 EIAF C/C(=C\Cc1cc(O)ccc1O)CCc1c(C)cc(O)c(CO)c1C 139125890 NFPCTCBZGNWBDK-YIXHJXPBSA-N 342.435 4.034 0 1 EIAF C[C@@H]1CCc2c(c3c(O)cc([C@H](C)CCCN(C)C)cc3oc2=O)C1 169344066 HGAPTSOENKTXDQ-ZIAGYGMSSA-N 343.467 4.069 0 1 EIAF CO[C@@H]1C[C@@](C)(O)[C@H](CC[C@H](C)CCO)[C@@]2(C)CCCC(C)(C)[C@H]12 238780246 CZKGVMNZYSYJDS-RCGDKRNRSA-N 340.548 4.404 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cncn1 261087788 CWWOHKJKERHVSH-YFWFAHHUSA-N 339.483 4.053 0 1 EIAF Cc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br 586961384 IECZWCZGXFXPOU-SECBINFHSA-N 349.257 4.277 0 1 EIAF Cc1cc(F)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 586997286 PMXYCTDSHJEHAF-CYBMUJFWSA-N 348.219 4.015 0 1 EIAF COc1cc(OC)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587028024 MQOTXQOWWYUYBY-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF FC(F)(F)COc1cc(-c2nc3cccc(Cl)c3[nH]2)ccn1 587091409 KNRCYIBJXJNNBR-UHFFFAOYSA-N 327.693 4.219 0 1 EIAF CSc1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166708 HAMABMCPHYJADT-CMDGGOBGSA-N 327.384 4.076 0 1 EIAF CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1cc2c3c(cccc3n1)CC2 587213925 SUQSRLMAFWFYJM-SFHVURJKSA-N 349.405 4.362 0 1 EIAF CSCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369733 OFOFUARJXUJJNR-MJGOQNOKSA-N 346.423 4.402 0 1 EIAF CCCOc1ccc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441066 JBFGGMOFCNOWQP-IIBYNOLFSA-N 338.403 4.281 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(N)cc1C)CC2=O 587473538 XETDDIWZSWOUFJ-GOSISDBHSA-N 325.408 4.250 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ncccc1C)CC2=O 587486778 LIEAYWKQIVSNKZ-HXUWFJFHSA-N 325.408 4.015 0 1 EIAF O=C(c1ccccc1N1CCCC1)n1nc2cc1Oc1ccc(F)cc1-2 587876985 YPUGKLNRIDYIJV-UHFFFAOYSA-N 349.365 4.084 0 1 EIAF Clc1cccc(-c2csc(Cc3nnc4n3CCCCC4)n2)c1 587920046 BLHXJTVTKFXINR-UHFFFAOYSA-N 344.871 4.372 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@H]32)C1 2356650797 RLPBERFZDPPHHB-CQHGLTIFSA-N 346.511 4.142 0 1 EIAF Cc1c(C(=O)NC(C)C)oc2ccc3c(c12)[C@@H](O)CC1(CCCC1)O3 6751304 NVZDTUTUDSURIG-ZDUSSCGKSA-N 343.423 4.008 0 1 EIAF O=C(Nc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 27523447 YAMLCRLUYWIFGV-UHFFFAOYSA-N 349.173 4.425 0 1 EIAF Cc1ccsc1C(=O)CCCCOc1ccc(C2=NCCO2)cc1 27892757 ORIAAICSAXSLOH-UHFFFAOYSA-N 343.448 4.265 0 1 EIAF CC[C@H](COc1ccc(Cl)cc1)OC(=O)NCc1ccccc1 38275397 WKAKARFZGJZVOS-MRXNPFEDSA-N 333.815 4.424 0 1 EIAF N[C@@H]1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O 72106334 GIALIWVNJLPIKP-JOCHJYFZSA-N 327.427 4.406 0 1 EIAF COc1ccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)cc1 82067514 USWMSOULGPZSHU-UHFFFAOYSA-N 343.333 4.168 0 1 EIAF Fc1ccc(CCNc2cncc(Oc3ccc(F)cc3)n2)cc1 82068504 JUJGLPXQGKSXEW-UHFFFAOYSA-N 327.334 4.202 0 1 EIAF O=C(Nc1ccccc1)Nc1ccc(N2CCc3ccncc3C2)cc1 169710116 DETQEUBCKFGKNU-UHFFFAOYSA-N 344.418 4.288 0 1 EIAF COc1ccc(-c2c[nH]c3ncc(-c4ccccc4N)cc23)cc1OC 299828187 LUDYAJUKWRBWIO-UHFFFAOYSA-N 345.402 4.496 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)c(F)c3[nH]1)C2 586887572 VBSVMAVLNSPASK-GUBZILKMSA-N 349.203 4.103 0 1 EIAF C[C@@H](Sc1ncccn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586962474 SCLKAPDDISXHHV-ZCFIWIBFSA-N 326.759 4.138 0 1 EIAF COc1cc(/C=C\c2nc3cccc(O)c3[nH]2)ccc1Br 586975757 FQTORMFABJFAMT-VURMDHGXSA-N 345.196 4.210 0 1 EIAF COc1cc(/C=C/c2nc3c(C)ccnc3[nH]2)ccc1Br 586978251 YJGLBJYTJQTOOL-GQCTYLIASA-N 344.212 4.208 0 1 EIAF Cc1cc(F)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 586983796 IZWVTTMACARFOA-ZDUSSCGKSA-N 348.219 4.015 0 1 EIAF CCO[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991366 JPECASLULHUODW-MRXNPFEDSA-N 331.371 4.176 0 1 EIAF Cc1c(Cl)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587075442 IMRZOLVAVIMUGR-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Cc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587076194 LBVAJYJIWRCQKR-MRXNPFEDSA-N 329.762 4.281 0 1 EIAF COc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cn1 587083817 NINXSFWGEGICSV-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3C=CC[C@@H]32)[C@H]1c1ccc(F)cc1 587353344 OWPIZFGWNDGDTL-ANFFJROASA-N 336.362 4.225 0 1 EIAF Cc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377603 NWBGIIJBSRHZPH-INIZCTEOSA-N 346.224 4.355 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(C)cc4c1C)[C@@H](C2)C3=O 587437538 GQEMLKLOJQAFOH-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CC)c1C)CC2=O 587471778 UUUZJIMSOCGKQW-LJQANCHMSA-N 327.424 4.489 0 1 EIAF C[C@]1(c2cnc3cccnc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523286 HKSVWUVYIQKWGK-JOCHJYFZSA-N 344.414 4.389 0 1 EIAF O=C1CC2(CCC3(CCOC3)CC2)Oc2c1ccc1c2CCCC1 587530546 DKAZORPIWZZDBU-UHFFFAOYSA-N 326.436 4.250 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587823891 SGZBECLOEVYXMO-HCUBBDJBSA-N 336.248 4.376 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSC 587858993 FNHFGOSNNKGMOS-UHFFFAOYSA-N 345.251 4.259 0 1 EIAF COc1ccc(OC)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1OC 587927296 OLMGJSIXGPAFQZ-UHFFFAOYSA-N 349.390 4.112 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 587930143 DJNBZZKREOQFMJ-UHFFFAOYSA-N 331.375 4.309 0 1 EIAF COC(=O)c1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cn1 587968703 OHBOZIXBPUCFQS-MDZDMXLPSA-N 329.359 4.068 0 1 EIAF CCN1CCC([C@@]2(C)c3ccsc3CCN2Cc2ccco2)CC1 962714157 YZQFDTXPWIVNPO-FQEVSTJZSA-N 344.524 4.347 0 1 EIAF COc1cc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)ccc1S 963102768 RYXZLUOURQYUDM-UZLBHIALSA-N 343.467 4.407 0 1 EIAF Clc1ccc2c(c1)CCN[C@@H]2c1csc(-c2cccnc2)n1 963378486 FXRBYRPSEOKNIP-INIZCTEOSA-N 327.840 4.094 0 1 EIAF COc1cccc(C(=O)[C@@H]2S[C@H]2c2ccc(Br)cc2)c1 1772657808 JBAUESNVBKLLNJ-HOTGVXAUSA-N 349.249 4.497 0 1 EIAF COc1c(O)cc2cc1Oc1ccc(cc1)CCCC[C@H](O)C=C2 2356527508 DLWPXKOURWULJE-INIZCTEOSA-N 326.392 4.294 0 1 EIAF CCOc1ccc([C@](C)(O)[C@@H](CN2CCCC2)c2ccccc2)cc1 6811642 JGCLOCKWTQIIHT-VXKWHMMOSA-N 339.479 4.172 0 1 EIAF CC(C)CN1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 7991990 FCHRJJMYSAMNDL-INIZCTEOSA-N 336.479 4.224 0 1 EIAF Cc1ccccc1N1CCc2c(NC(N)=O)nc3c(C)cccc3c21 13454986 GCQPVOKWNIOTCJ-UHFFFAOYSA-N 332.407 4.036 0 1 EIAF COc1ccc2c(=O)cc(-c3ccc(Br)cc3)oc2c1 29129071 PRVQAIZRXWAFKL-UHFFFAOYSA-N 331.165 4.231 0 1 EIAF O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCCC1 45352427 DMKIFKKREMMAEC-UHFFFAOYSA-N 329.831 4.495 0 1 EIAF O=C1NC(=O)[C@H](Cc2ccc(Oc3cccc(Cl)c3)cc2)S1 45393745 XXWPQIVZDCBDEM-AWEZNQCLSA-N 333.796 4.026 0 1 EIAF Cc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 51048199 AEOZJUJWEQYZMT-CQSZACIVSA-N 327.378 4.139 0 1 EIAF biogenic CC1(C)c2ccc(/C=C/c3cc(O)cc(O)c3)cc2C(C)(C)N1O 73276345 ZQNAAAWODKIXLK-AATRIKPKSA-N 325.408 4.443 0 1 EIAF CCOc1ccccc1CNc1cc(-c2ccc(F)cc2F)ncn1 82160317 JZMVKVYTYZNMCD-UHFFFAOYSA-N 341.361 4.433 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]23CO[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 143179425 QWUTUYGUGLFBMY-UQOSMDEQSA-N 344.451 4.460 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 169704932 ROOFFAWDIFZLQB-HIFRSBDPSA-N 338.386 4.160 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(CCCO)cc3)cc12 216018247 IKSXBBRZNBQTND-UHFFFAOYSA-N 329.783 4.111 0 1 EIAF FC(F)(F)Oc1ccc2c(c1)C[C@@H]1C[C@@H](c3cccs3)N2O1 299833470 YEJVABOLZHNQJU-YPMHNXCESA-N 327.327 4.454 0 1 EIAF COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(C)cc3)[nH]n2)cc1 299871737 ZDBUJSGQHHZANH-KPKJPENVSA-N 333.391 4.046 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2c(Br)ccnc2[nH]1 587012173 PIZOXQKZFKAIIW-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)o1 587016242 IHVNNOMCDRDINY-UHFFFAOYSA-N 339.376 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(Cl)nccc3c1)O2 587380505 VNJWMKYSYZRBQH-QGZVFWFLSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(OC(C)C)cc1)O2 587400162 LGGAKKNHDMKIDU-KRWDZBQOSA-N 339.435 4.331 0 1 EIAF CCCC[C@]1(CCCCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587409448 UORCPIOUTAIZBR-IBGZPJMESA-N 333.428 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c4ccccc14)[C@@H](C2)C3=O 587451224 QLXDPASZYHUFDC-KKSFZXQISA-N 332.355 4.043 0 1 EIAF O=C1C[C@]2(CCOc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587509338 RIJWWUNGADWLHO-NRFANRHFSA-N 338.378 4.348 0 1 EIAF O=C1C[C@@]2(CCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514830 POYMYYMAXXXCKY-HSZRJFAPSA-N 347.458 4.175 0 1 EIAF Cn1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516402 SHULTBDCBLLVNL-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF CCn1c(C)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577041 LRARPPCGQBVFPR-GHTZIAJQSA-N 349.386 4.225 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1cc(Cl)cc(Cl)c1 587651466 KCXXDFWSBPIHJY-UHFFFAOYSA-N 325.582 4.346 0 1 EIAF CCO/C=C(\C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795713 JBOHHKHIEUWSAO-MZOZHOLYSA-N 328.225 4.104 0 1 EIAF Clc1ccc2c(c1)CCNC21CCN(CC2CCCCC2)CC1 963380643 LTQBKJNNHWRPOZ-UHFFFAOYSA-N 332.919 4.357 0 1 EIAF CC(C)C[C@H](N)c1csc(NC(=O)c2ccc(F)c(Cl)c2)n1 1857593746 JUPKKFUHCXWBBC-LBPRGKRZSA-N 341.839 4.234 0 1 EIAF O=C(c1ccc2c(c1)OCO2)c1ccn(-c2ccccc2Cl)c1 1911581609 NWWBILVHVLIXLC-UHFFFAOYSA-N 325.751 4.090 0 1 EIAF COC[C@]1(C)C(=O)CC[C@@]2(C)c3cc(O)c(C(C)C)c(O)c3CC[C@@H]12 2356638679 NNFYPMHXMLVZMN-CZAAIQMYSA-N 346.467 4.057 0 1 EIAF COc1cccc(C2=CC[C@H](N3CCN(c4ccccc4)CC3)CC2)c1 13470699 MCVMARUOYHWORW-QFIPXVFZSA-N 348.490 4.453 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2n1cncn1 26472890 CWWOHKJKERHVSH-WDPSMDGFSA-N 339.483 4.053 0 1 EIAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c21 28571360 MQFDETILCHDOAZ-ZBEGNZNMSA-N 349.261 4.279 0 1 EIAF CCCNC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc[nH]1 28653552 OYZOABKCEIYFIO-MRXNPFEDSA-N 346.887 4.104 0 1 EIAF C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)C[C@H]2C[C@@H]1C2(C)C 72114617 BVLMUEUIQIASQJ-WJZNIJOASA-N 326.362 4.296 0 1 EIAF Cc1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 73167546 WIGOWSLYJZMLPD-QGZVFWFLSA-N 338.798 4.387 0 1 EIAF CC(C)Oc1ccc(Nc2nccc3[nH]c(-c4cnn(C)c4)cc23)cc1 82078496 NVFCMFAQQFMNJA-UHFFFAOYSA-N 347.422 4.494 0 1 EIAF Cc1cc(Nc2ccc3c(c2)CCCC3)n2nc(C(F)(F)F)nc2n1 145525121 RTZYVDADTGSFMZ-UHFFFAOYSA-N 347.344 4.074 0 1 EIAF COc1ccc(NCc2cccc(CNc3ccc(OC)cc3)n2)cc1 147623327 KEHMFXAXWPAJGM-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCCC(C)(C)C4)[C@H]3C=C12 503984572 OCWMOVOEHOFLTA-SJTVKCHBSA-N 345.527 4.423 0 1 EIAF biogenic COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(F)c(C)c2[nH]1 586916938 PSISELAKIUBXFQ-XOBRGWDASA-N 338.382 4.227 0 1 EIAF Cc1ccc(-c2nc(-c3nc4cc(N)c(N)cc4[nH]3)c(C)s2)cc1 587012961 PHAWHJUZWOMHFP-UHFFFAOYSA-N 335.436 4.135 0 1 EIAF Cc1c(-c2ccn(C)n2)nc2cccc3c2c1-c1ccccc1C3=O 587104393 GRHHJYVSXWHYDX-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF Cc1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c(C)n1 587121195 XEYJBLNSAWHBMS-UHFFFAOYSA-N 349.238 4.002 0 1 EIAF CC(C)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587259141 QNKFPPSSUXISSZ-JTQLQIEISA-N 336.155 4.000 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@@H]32)[C@@H]1c1ccc(F)cc1 587356185 ZCTLFKFTHDSKLO-UZKHVXGDSA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncc1)(c1ccccc1)O2 587395326 PTZKYRGSYZIZHK-JOCHJYFZSA-N 344.414 4.076 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccncc1)O2 587396073 WPRNTTIBAMLPFZ-JOCHJYFZSA-N 344.414 4.076 0 1 EIAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCCc4ccccc41)[C@@H](C2)C3=O 587447819 VWFZOPRHJSDODP-NPPFBWRTSA-N 334.415 4.321 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N(C)C)c1)CC2=O 587469280 MSWHZFLPFFJROV-OAQYLSRUSA-N 339.435 4.291 0 1 EIAF COc1cccc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 587565676 HWXTVOOCIPTSJT-UHFFFAOYSA-N 326.396 4.185 0 1 EIAF COc1cc2c(cc1OC)[C@@H](Cc1cc(C)ccc1C)N(C)[C@@H](C)C2 962635934 VEAMVIUSZXHUSP-OXJNMPFZSA-N 339.479 4.481 0 1 EIAF COc1cc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)ccc1S 963102754 RYXZLUOURQYUDM-JXFKEZNVSA-N 343.467 4.407 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccnc(Br)c1 963118889 ZXEVDASPEGNBKS-YOEHRIQHSA-N 347.231 4.093 0 1 EIAF COc1ccccc1O[C@H]1O[C@@H](Oc2ccccc2OC)[C@@H](C)[C@H]1C 2356539948 HCNYKHWVAWXELI-GOFCXKROSA-N 344.407 4.116 0 1 EIAF Cc1cccc(CNc2ccnc(-c3ccccc3CN(C)C)n2)c1 4267561 GMANOFLSVWBGTE-UHFFFAOYSA-N 332.451 4.126 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 5434406 WGPZAVZHAGYUOL-UBYIZVQESA-N 331.500 4.055 0 1 EIAF C/C(=C\CC/C(=C/CC/C(C)=C/CC/C(C)=C/CO)C(=O)O)CO 15113906 OBXCDFNUWPCTJI-ADPUSNCMSA-N 336.472 4.162 0 1 EIAF C[C@@H]1CCC2=C(C[C@H]3C[C@]2(C)C(=O)O3)[C@@]1(C)CC(=O)c1ccoc1 40410829 VFBKPZBZQXAVHP-FINPGKJESA-N 328.408 4.311 0 1 EIAF C[C@H]1C[C@@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCN1 49051108 CUVCFXBDBPAFQU-GJZGRUSLSA-N 342.870 4.125 0 1 EIAF O=C(CCc1cnnn1C12CC3CC(CC(C3)C1)C2)c1ccccc1 49110455 IAOPKSJTEMBPOC-UHFFFAOYSA-N 335.451 4.019 0 1 EIAF CC1(C)S[C@@H]1CS(=O)(=O)c1ccc(Oc2ccccc2)cc1 89454963 DRTODLUVQQWLLX-MRXNPFEDSA-N 334.462 4.147 0 1 EIAF CCCc1cc2c(c(OC)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 95619844 OMPKOMATCRRMCU-YCRPNKLZSA-N 346.467 4.448 0 1 EIAF endogenous,in-man Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@@]23CCN1CCC(F)(F)F 100895377 JVDYHGRJOLGWFV-RCCFBDPRSA-N 339.401 4.403 0 1 EIAF C[C@@H](COC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(Br)cc1 102078473 HBJYCZVPNMNKRS-RCBQFDQVSA-N 338.289 4.194 0 1 EIAF O=C(O)c1cc2scnc2n1Cc1ccc(Cl)c(Cl)c1 136746235 YBWPWLHAHRPARW-UHFFFAOYSA-N 327.192 4.151 0 1 EIAF O=N[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 169717041 NMJRMLRDWRWFQR-LJQANCHMSA-N 343.858 4.360 0 1 EIAF C[C@@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)c1ccncc1 253698709 RJLWFRLLAXAHSU-KNKQGSTJSA-N 338.495 4.361 0 1 EIAF COc1ccc([C@@H]2Cc3c(C(C)=O)c(O)c4ccccc4c3O2)cc1 299828172 SKNFCMQDFDGGIB-SFHVURJKSA-N 334.371 4.433 0 1 EIAF O=[N+]([O-])c1cnc(Cl)nc1Oc1ccc(-c2ccccc2)cc1 322738915 XQMADURJYNLLBT-UHFFFAOYSA-N 327.727 4.498 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C2 586888709 XOHLXNMDLZQGKE-GUBZILKMSA-N 338.304 4.360 0 1 EIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898069 KYIYQJBMRSFGSJ-UHFFFAOYSA-N 344.370 4.389 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1 587080344 PBBYXCWVDKREHS-LURJTMIESA-N 328.725 4.468 0 1 EIAF Fc1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1Br 587090551 RLUYWGAIZKZZCN-MRVPVSSYSA-N 349.484 4.388 0 1 EIAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1C 587126105 VFWCETUFQGUZLS-YGRLFVJLSA-N 349.360 4.351 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(OC)cc(OC)c2[nH]1 587155042 ISTFXNJBSRPVMW-CQSZACIVSA-N 330.359 4.249 0 1 EIAF COc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cn1 587241934 FZQBFTDGYIYIHC-UHFFFAOYSA-N 332.363 4.083 0 1 EIAF CC[C@@]1(c2c(F)cc(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587381023 FGVSUVABPQWTGY-SFHVURJKSA-N 335.325 4.265 0 1 EIAF CCOc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587397628 AEPKMXZKYVQFMB-SFHVURJKSA-N 325.408 4.299 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nccs3)cc1)O2 587412569 JGAJHUXFFAMGTG-KRWDZBQOSA-N 336.416 4.407 0 1 EIAF COc1ccc([C@@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415270 ZAHSAEIGQURQRN-OAQYLSRUSA-N 349.386 4.088 0 1 EIAF CCc1nc2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2o1 587436162 MSRJPWRAOLFYMJ-SZNDQCEHSA-N 349.386 4.062 0 1 EIAF CCC[C@@]1([C@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520668 APWSISVWTHWMOO-UTKZUKDTSA-N 344.451 4.269 0 1 EIAF C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535842 OHMIPIWCBREXKZ-OAQYLSRUSA-N 336.387 4.175 0 1 EIAF C[C@@H](Oc1ccccc1F)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873956 QKXXMHUSVQSWLV-SNVBAGLBSA-N 342.301 4.042 0 1 EIAF c1ccc([C@]2(C3CC3)c3ccsc3CCN2Cc2ccco2)nc1 962713936 XNOZGJVWJXDNEJ-FQEVSTJZSA-N 336.460 4.448 0 1 EIAF CCC[C@]1([C@@H](CC)C(=O)OC)c2c(F)cccc2C[C@@H]2CCCN21 963087388 CMROWYXILWWGSX-FTRWYGJKSA-N 333.447 4.041 0 1 EIAF CCCCC[C@@]1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21 1857568247 HYVOZTJUVNRAEZ-IBGZPJMESA-N 328.387 4.289 0 1 EIAF NCc1cc2cc(-c3ccc(OCc4ccccc4)nc3)ccc2[nH]1 1857586915 FXOPHRPQZJUVRS-UHFFFAOYSA-N 329.403 4.268 0 1 EIAF C[C@@H]1NC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356425610 PHYSDIZFXRPRAH-PNKHAHIYSA-N 342.571 4.467 0 1 EIAF COc1ccc(C=CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1O 2356644299 AQZFKHDQPNFGQT-WIBUTAKZSA-N 330.424 4.172 0 1 EIAF CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(-c4ccco4)ccnc3O2)cc1 61906026 VWJLWQJCCKHIND-IBGZPJMESA-N 348.402 4.407 0 3 EIAF O=C(NC1CCCCC1)[C@H](Nc1ccccc1)c1ccccc1F 206049852 JIVWOHXUFHIBLJ-LJQANCHMSA-N 326.415 4.428 0 3 EIAF Cc1ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1C 3188925 HVVMKDPJGLREPM-UHFFFAOYSA-N 328.256 4.308 0 1 EIAF biogenic C[C@@H](O)CNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 6416413 VBASHTSSQNDDAS-CQSZACIVSA-N 344.418 4.085 0 1 EIAF in-vivo O=C1CCn2c(-c3ccc(-c4ccccn4)cc3)nc3cccc1c32 62233076 XBGUMYRMQKLELD-UHFFFAOYSA-N 325.371 4.352 0 1 EIAF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)oc1C 82164379 ZZOLKRXXMHFFRX-UHFFFAOYSA-N 338.386 4.155 0 1 EIAF Fc1ccc2[nH]cc(CCCN3CCN(c4ccccc4)CC3)c2c1 95604506 NCTLCZDKQMHSKR-UHFFFAOYSA-N 337.442 4.062 0 1 EIAF COc1cccc(-n2c(C)cn(C(=O)c3ccc(C)cc3)c2=S)c1 98082797 DVKYGUYNAWITSJ-UHFFFAOYSA-N 338.432 4.322 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/C[C@@H]3CCC(C)(C)N3C)[C@@H]12 101008402 BFWLLXLCNDBKTL-QEORGNIQSA-N 343.511 4.484 0 1 EIAF Oc1c([C@@H](NCc2ccccc2)c2ccncc2)ccc2cccnc12 144688118 CCWRTOPNDYNTES-FQEVSTJZSA-N 341.414 4.215 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@@H]1[C@@H](/C=C\c1ccccc1)C2 169354966 ODBOCRLDKFDGTG-RGDPPYQQSA-N 336.431 4.046 0 1 EIAF CC1=NC(=O)N[C@@H](c2cccc3ccccc23)[C@H]1C(=O)OC(C)(C)C 169693318 YMSLXGUMJSQSLR-IRXDYDNUSA-N 338.407 4.023 0 1 EIAF Nc1nnc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1 204759941 UQZFPLZZLBNFOS-UHFFFAOYSA-N 343.415 4.484 0 1 EIAF COc1ccc(-c2cc(-c3ccc4c(c3)N(C(C)C)C4=O)on2)cc1 299858341 QTPXKMPGBJKKOZ-UHFFFAOYSA-N 334.375 4.386 0 1 EIAF CCCCCc1cc2c(Cc3ccc(CN)cc3)cccc2[nH]c1=N 473122489 SHIHKGXLLWSXOB-UHFFFAOYSA-N 333.479 4.430 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)cc(F)c2[nH]1 586915889 IXPBCAZBHIAWSD-XOBRGWDASA-N 338.382 4.227 0 1 EIAF Cc1ccc(C)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 586983285 ALVKZPZQWWBEML-CQSZACIVSA-N 344.256 4.185 0 1 EIAF COc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Cl 587015766 AVZFSCQQOKEYIB-LBPRGKRZSA-N 335.816 4.200 0 1 EIAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587024098 VMHIDPCUTDJEBE-OAHLLOKOSA-N 335.392 4.077 0 1 EIAF Cc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587043079 XXNWMKXJJXSQNC-IRXDYDNUSA-N 343.883 4.471 0 1 EIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587051870 GBBDUEQNXUEIBC-OAHLLOKOSA-N 341.842 4.043 0 1 EIAF COc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1OC 587079996 JMEGZLBDCNCFCU-UHFFFAOYSA-N 341.798 4.237 0 1 EIAF COC(=O)/C=C(\C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106094 DWVAITGHPKNYGH-ZRDIBKRKSA-N 329.355 4.023 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc12 587161093 JVBBYUFNMMDSSS-NEPJUHHUSA-N 346.203 4.439 0 1 EIAF O=C(O)Cn1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21 587210743 GFHKMRGMSWXSSP-UHFFFAOYSA-N 328.371 4.040 0 1 EIAF CC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3CC5)-c3cccc1c32 587213721 ZNHGMVCTBCLRAD-CQSZACIVSA-N 326.399 4.007 0 1 EIAF COc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389364 HVHHCVMXGFQWKS-FQEVSTJZSA-N 348.402 4.083 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(F)cc31)CC2=O 587471222 JTZPUZQAGKGRJK-FQEVSTJZSA-N 340.350 4.251 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C3CCCC3)C1)CC2=O 587475963 RONSYMMULOAGGS-NRFANRHFSA-N 343.467 4.087 0 1 EIAF O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587502206 CVAHRHDELKFULN-SFHVURJKSA-N 340.350 4.109 0 1 EIAF O=C(O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632769 PDGGCMKADLYLDY-UHFFFAOYSA-N 348.171 4.364 0 1 EIAF Cc1cc(C)nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773629 RBRAJIBGLKKUEI-PIGZYNQJSA-N 349.247 4.224 0 1 EIAF O=C(c1ccc2ncccc2c1)n1nc2cc1Oc1ccc(F)cc1-2 587873561 HMJGYFPVQSHHPJ-UHFFFAOYSA-N 331.306 4.032 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccn(C(C)(C)C)c1 963061492 CJFNNHVMQIINKJ-IBGZPJMESA-N 335.451 4.035 0 1 EIAF NCCN(C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 1772577123 SDULFEYYQOYMHR-UHFFFAOYSA-N 343.641 4.252 0 1 EIAF CCCCCC=CC=C[C@@H](O)CC=CC=C[C@H](O)CCCC(=O)O 2356342948 GVBURXXHWSCJSI-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](OC)c1ncc[nH]1 2356678689 PJDSAPORFHURTH-RBUKOAKNSA-N 338.407 4.316 0 1 EIAF COc1cccc([C@H](O)c2nc(-c3ccc(F)cc3OC)cs2)c1 61905322 CQBGFLADFWWMBN-KRWDZBQOSA-N 345.395 4.048 0 3 EIAF FC(F)(F)c1cccc(N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 278356 FIAOAIAXJRLEKI-ARFHVFGLSA-N 336.401 4.040 0 1 EIAF CCN(Cc1ccccc1)C(=O)CCSCc1cccc(F)c1 3031664 ORRJODAJOGAFRI-UHFFFAOYSA-N 331.456 4.498 0 1 EIAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccco3)nc(N)c12 13835474 ATJYGASFPFEOJQ-CQSZACIVSA-N 332.407 4.500 0 1 EIAF COc1cccc2c1CCC[C@H]2CN1CCN(C2CCCCC2)CC1 22778600 YHVGSPGZCCLSHP-SFHVURJKSA-N 342.527 4.065 0 1 EIAF CC(C)N(CC[C@]1(c2ccccc2)C[C@@H]2CCCCN2C1=O)C(C)C 26275665 NGTHSHJXZHWAHM-RBBKRZOGSA-N 342.527 4.218 0 1 EIAF CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 26387877 WGPZAVZHAGYUOL-PGWLQFJSSA-N 331.500 4.055 0 1 EIAF Cc1ccc(Nc2nc3ccc(C(=N)NC(C)C)cc3s2)nc1 40429016 JXFXSYZQEGMCTR-UHFFFAOYSA-N 325.441 4.067 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2ccc(O)cc2)c1 73195900 OKQDICAWOOJXJZ-UHFFFAOYSA-N 333.387 4.037 0 1 EIAF CCOc1ccccc1CNc1cc(Oc2cccc(F)c2)ncn1 82068296 XQTVUQQIARJNDS-UHFFFAOYSA-N 339.370 4.419 0 1 EIAF O=C(NC[C@H]1CC[C@@H](CCOc2ccccc2)CC1)c1cc[nH]c1 101118571 LXQKQWCFBZETPC-QAQDUYKDSA-N 326.440 4.020 0 1 EIAF C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(/C)CC[C@@H]12 103886427 SORYERHBQFTRIK-CHRSUGBWSA-N 330.424 4.342 0 1 EIAF COc1c2c(cc3c1C(CCC(=O)O)=CC(C)(C)O3)OC(C)(C)C=C2 238759573 WPMGGSGQCIIHDD-UHFFFAOYSA-N 344.407 4.299 0 1 EIAF COc1cc([C@H](C)NC(=O)Nc2ccccc2)ccc1-c1cnco1 584905513 UDNLNRJCNHAFEZ-ZDUSSCGKSA-N 337.379 4.233 0 1 EIAF in-vitro O=C(O)/C=C\c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586880870 CMAVUMBRHKMBLM-WAYWQWQTSA-N 334.162 4.030 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)ccc4[nH]3)oc12 586903357 JGNOBQGABBZKSU-UHFFFAOYSA-N 328.274 4.075 0 1 EIAF COc1cc(OC)c2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2c1 587033202 HAOKNXUOUAKJDI-SNVBAGLBSA-N 328.437 4.433 0 1 EIAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Cl 587064993 JUNAPMPLIAXWIV-UHFFFAOYSA-N 348.687 4.163 0 1 EIAF C[C@H](c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1C(F)(F)F 587096985 FXJSAPRPPGFQNA-VIFPVBQESA-N 334.297 4.462 0 1 EIAF Cc1ccc2c3c(cc(CC(=O)C4CC4)nc13)-c1ccccc1C2=O 587099270 DZCMAQKAQRWBDP-UHFFFAOYSA-N 327.383 4.276 0 1 EIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccnc2[nH]1 587121377 AHUAQVYQGIUSHX-UHFFFAOYSA-N 344.296 4.380 0 1 EIAF COC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171859 UAWGXJOHDVWIBD-NSHDSACASA-N 344.411 4.384 0 1 EIAF COc1ccc(C)cc1NCCCc1nc2ccc(F)c(F)c2[nH]1 587229106 OJUUXYLQKJYKOI-UHFFFAOYSA-N 331.366 4.203 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCc3c[nH]cc32)[C@H]1c1ccc(F)cc1 587343672 DAVXSKSHVILTPC-FPOVZHCZSA-N 349.361 4.060 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1)O2 587382368 PDVVJBUXVGPPQU-KRWDZBQOSA-N 335.325 4.477 0 1 EIAF COc1cc2c3c(c1)OC1(CC(c4ccc(Cl)cc4)C1)[C@@H](C2)C3=O 587424402 ZEQLAIAEUIMUGN-FOCKTWCOSA-N 340.806 4.412 0 1 EIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4SC[C@H]1C)[C@@H](C2)C3=O 587453533 QYUVRNRQWMQTHF-LQGCGHSZSA-N 338.428 4.080 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1F)CC2=O 587465400 DCMXFPSKPUQMRP-GOSISDBHSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(F)c1)CC2=O 587466309 KTHKRAVCOOQBQD-GOSISDBHSA-N 330.355 4.199 0 1 EIAF Cc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873724 LBDMTFMUQMGNGC-LBPRGKRZSA-N 338.338 4.211 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cc(F)ccc1Cl 963634630 KZXOZDYDFZJNPP-JEOXALJRSA-N 349.833 4.294 0 1 EIAF COc1ccc(F)cc1-c1ccnc2c(OC)c(NC(C)=O)ccc12 1857583533 XAFGLERPGOFLBR-UHFFFAOYSA-N 340.354 4.017 0 1 EIAF Cc1ccsc1C(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 14952505 QTJCBJBIQYQECX-INIZCTEOSA-N 348.899 4.104 0 3 EIAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61927664 RVFHNVIYPYIDNG-INIZCTEOSA-N 345.807 4.274 0 3 EIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)cc1[C@H](O)CC2 5922876 HIWNZGHQROQUOB-OAHLLOKOSA-N 346.448 4.081 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CN=[N+]=[N-])[C@@H]1CCC2=O 6067844 YXESQHWXOVHCMN-BGJMDTOESA-N 327.428 4.378 0 1 EIAF CN(C)CCCCCC(=O)[C@](O)(c1ccccc1)C1CCCCC1 13825197 AJWIUYZZRKCLRT-NRFANRHFSA-N 331.500 4.146 0 1 EIAF Cc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1 13864643 HHBULKCBWJPUAE-UHFFFAOYSA-N 332.359 4.351 0 1 EIAF CCN[C@@H]1CCC[C@@H]1N(C(=O)CC)c1ccc(Cl)c(Cl)c1 28237410 GKDCVGNKESHKGU-CABCVRRESA-N 329.271 4.267 0 1 EIAF CCOC(=O)c1cc2c(cn1)Cc1ccc(OCc3ccccc3)cc1-2 40847881 YXINWZOIZZUGSQ-UHFFFAOYSA-N 345.398 4.409 0 1 EIAF CCc1cc(Cl)cc2[nH]c(O)c(-c3cccc(OC)c3)c(=O)c12 42919834 JLWHBUOCRANDJB-UHFFFAOYSA-N 329.783 4.125 0 1 EIAF CCOC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2oc1=O 66099557 DLVQIORNAINGOF-UHFFFAOYSA-N 328.751 4.290 0 1 EIAF O=C(Nc1ccccc1Cl)C1=C(O)CCn2c1nc1ccccc12 100025033 XAHBMFJDKDUARI-UHFFFAOYSA-N 339.782 4.001 0 1 EIAF C[C@H](COC1C[C@@H]2CC[C@@H](C1)N2C)Sc1ccc(Cl)cc1 101240270 IOIRIZAMLJCKNZ-SNPRPXQTSA-N 325.905 4.462 0 1 EIAF CC[C@@H](Cc1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251322 YXGACPVGUQXDFZ-IBGZPJMESA-N 345.508 4.220 0 1 EIAF COc1ccc(-c2c(C)nn3c(O)cc(Cc4ccccc4)nc23)cc1 103581204 ONKCLYOFGGLEGT-UHFFFAOYSA-N 345.402 4.010 0 1 EIAF CCc1ccnc2c(N[C@@H](C)CCCNC(C)C)cc(OC)cc12 169334211 SADBNOJGPZHIDJ-HNNXBMFYSA-N 329.488 4.384 0 1 EIAF COC(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc21 205534593 FEYTYPXPYBLHOC-UHFFFAOYSA-N 344.842 4.323 0 1 EIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(N)ccnc3[nH]2)c1 586882361 OYNXMOBYRRZLBS-UHFFFAOYSA-N 342.402 4.055 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1C)O2 587376117 HHNCRFQPMUWIJB-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)ccc(C)c31)O2 587380230 RALWMYURXVARIH-LJQANCHMSA-N 343.810 4.182 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccncc3)cc1F)O2 587385405 NXQHQARAJUUJNM-FQEVSTJZSA-N 348.377 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cs1)O2 587411802 WBUSKHUDGHWFTB-GFCCVEGCSA-N 338.226 4.108 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)nc4ccccc14)[C@@H](C2)C3=O 587436837 URQAFXSDCSRHPE-KKSFZXQISA-N 331.371 4.041 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(F)cc13)CC2=O 587472437 QLZBAKFOZLWULS-KRWDZBQOSA-N 340.354 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(OC)c1)CC2=O 587475561 ARMDYOZEJUVJEG-IBGZPJMESA-N 342.391 4.068 0 1 EIAF CC(C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515136 LGFHOYBUMLTVCZ-LJQANCHMSA-N 337.419 4.454 0 1 EIAF COc1ccc2[nH]nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587527005 SOUHGXSTEUBHEG-IBGZPJMESA-N 348.402 4.157 0 1 EIAF CCn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587759240 ZSHWYDFRKUZVBS-QLJPJBMISA-N 337.236 4.033 0 1 EIAF COc1cc2c(cc1OC)[C@@](C)(c1oc(C)cc1C)N(C)[C@@H](C)C2 962624080 DCJPYYPBUSEZOF-RBZFPXEDSA-N 329.440 4.054 0 1 EIAF Fc1cccc2c1NCC[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963111490 SCZMUDIRYKISQN-VLIAUNLRSA-N 326.390 4.045 0 1 EIAF O=C(O)c1cccc2c1CCN[C@]21CCC[C@H]1c1ccccc1Cl 963124455 QXQCRJWIUOPIKD-FXAWDEMLSA-N 341.838 4.347 0 1 EIAF Cc1cc(C[S@@](=O)C(c2ccccc2)c2ccccc2)nc(C)n1 1772633934 ONARGKCOENPHCA-XMMPIXPASA-N 336.460 4.132 0 1 EIAF COc1ccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)cc1 61903743 RIGCEVGMHFUBDQ-MRXNPFEDSA-N 333.359 4.179 0 3 EIAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@]1(C)O)C2 15221163 CSMYUTLLPHMJQJ-VAMGGRTRSA-N 332.440 4.252 0 1 EIAF C[C@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 20485226 WQHURHBTDOKZPM-SWLSCSKDSA-N 341.480 4.001 0 1 EIAF COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1 28218681 GSKCWDUWHKSXRR-UHFFFAOYSA-N 334.347 4.147 0 1 EIAF COc1cccc(C(=O)N2CCCC2)c1O[C@@H](C)c1ccccc1 28525217 OTDRFFRAOONOKL-HNNXBMFYSA-N 325.408 4.071 0 1 EIAF Clc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccccc3)O2)cc1 28770221 GNKNXEUGOUKHKP-OALUTQOASA-N 340.810 4.178 0 1 EIAF CC(=O)c1c(Nc2ccccc2)[nH]c2c(Cl)ccc(F)c2c1=O 40896488 GBRCZEYULXUYHA-UHFFFAOYSA-N 330.746 4.267 0 1 EIAF CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13 71296591 AVDWHTCJIXKWKF-BHIFYINESA-N 341.495 4.020 0 1 EIAF COc1ccc(CN2[C@@H](C)Cc3cc(OC)c(OC)cc3[C@H]2C)cc1 95784881 KQAFZKZNNTXWGL-LSDHHAIUSA-N 341.451 4.220 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42O3 100862920 JTVHQWNUCRXUJU-VNFHWRPASA-N 336.472 4.414 0 1 EIAF O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1CN1CCCCC1 103267787 HKJUAVMSGYJMQM-NJYVYQBISA-N 335.447 4.170 0 1 EIAF c1cc(Nc2ncnc3cc4c(cc23)OCCO4)cc(-c2ccco2)c1 169326849 UCYSHKDYVZRVEF-UHFFFAOYSA-N 345.358 4.405 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@@H](/C=C/c1ccccc1)C2 254046214 ODBOCRLDKFDGTG-RLPACBDDSA-N 336.431 4.046 0 1 EIAF Cc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br 586895722 VTYOTFYBLYWPSJ-UHFFFAOYSA-N 349.272 4.218 0 1 EIAF Cc1cc(F)c2[nH]c(-c3sc(Br)nc3C)nc2c1 587010511 BVZCQGAINSKCSY-UHFFFAOYSA-N 326.194 4.205 0 1 EIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccccc3[nH]2)c1 587242046 NYHSDKHKDBHONN-UHFFFAOYSA-N 325.368 4.283 0 1 EIAF COC(=O)Nc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587243010 AQYSSJLNSMGTHB-UHFFFAOYSA-N 337.166 4.110 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3cc1C=O)O2 587405395 LASXXEJESWNWEY-HXUWFJFHSA-N 331.371 4.249 0 1 EIAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1SC 587410065 PUMRYPKPIXITDL-LJQANCHMSA-N 343.448 4.188 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC)CC2=O 587468220 CKLYXIVZDPDROJ-FQEVSTJZSA-N 325.408 4.267 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(COCC)s1)CC2=O 587492640 BBHAQMJAJWXHMF-OAHLLOKOSA-N 347.436 4.044 0 1 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345.333 4.274 0 1 EIAF COc1cc(C2(c3nc4cc(F)c(F)c(F)c4[nH]3)CC2)ccc1C 587928198 ZVMLQAHSMBMTLZ-UHFFFAOYSA-N 332.325 4.377 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587952311 OPYDASRTSZYXAX-GDLVEWKHSA-N 334.391 4.447 0 1 EIAF O=C1CS[C@H](c2ccccc2Cl)c2cc(Cl)cnc2N1 653780461 JOQJVLPWFVXCGD-CYBMUJFWSA-N 325.220 4.163 0 1 EIAF CCCCN1CCC(Oc2ccc3c(C)c(C)c(=O)oc3c2)CC1 1857565225 QHAPMVPRWPFYPM-UHFFFAOYSA-N 329.440 4.053 0 1 EIAF COC(=O)CCc1ccc2c(c1)C[C@]1(C2)Cc2ccc3c(c2C1)CCC3 6379292 DQLFKPLUAHTQNN-DEOSSOPVSA-N 346.470 4.165 0 1 EIAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)C1 12378224 MHXKZCNHVYKVPQ-MSPZUWAUSA-N 331.500 4.199 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]21)C[C@@H]4CO 28641869 HCXQUFPQHLFUCK-TZOOJHKXSA-N 334.500 4.181 0 1 EIAF Cc1cccc(Nc2cc(Cl)nc(S[C@@H](C)C(=O)O)n2)c1C 40860241 IITOMHQCBQHKGQ-JTQLQIEISA-N 337.832 4.056 0 1 EIAF CC1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 71329475 NWKKJIKRNYNBQW-UHFFFAOYSA-N 332.451 4.478 0 1 EIAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(-c2ccc(O)cc2)c1 72107542 BDIATJTVVGGVGF-SUMWQHHRSA-N 338.403 4.159 0 1 EIAF COc1ccc2[nH]cc(C(=O)c3nccc4c3[nH]c3ccccc34)c2c1 73140571 UHBSGHWUGHXNLT-UHFFFAOYSA-N 341.370 4.437 0 1 EIAF COC(=O)C1=C(c2ccc(-c3ccccc3)s2)C[C@@H]2CC[C@H]1O2 84602018 ZQVAZFQVPHFFCY-DZGCQCFKSA-N 326.417 4.293 0 1 EIAF COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1O 84688602 UZXVBDZIABOGHV-UHFFFAOYSA-N 345.704 4.325 0 1 EIAF CC1=N[C@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)N=C1N 95575148 LQZWYEXWILDROH-OAQYLSRUSA-N 332.451 4.313 0 1 EIAF Oc1ccc(C2(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)cc1 586896782 YAWQSHJJOIBAIJ-UHFFFAOYSA-N 334.297 4.247 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 586910657 IYRHLBCOQNEXCY-LDYMZIIASA-N 327.197 4.137 0 1 EIAF FC(F)(F)Oc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Cl 586916940 PVPRZXFIHWXARH-UHFFFAOYSA-N 332.709 4.009 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(Br)c(F)cc3[nH]2)s1 587012075 NAHLIZXZCDPCOE-UHFFFAOYSA-N 340.221 4.129 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)O)CC4)-c1ccccc1C2=O 587100506 AWNKJWPJXIRWJA-LBPRGKRZSA-N 343.382 4.259 0 1 EIAF Nc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2c1 587251774 MQEIFRRTBCDVGM-UHFFFAOYSA-N 331.375 4.127 0 1 EIAF Cc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br 587252101 WAVOHALDWSYFSG-QPJJXVBHSA-N 328.213 4.386 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Cl)ccc3[nH]1)O2 587379913 MVOALGHKFVGJTL-QGZVFWFLSA-N 326.783 4.418 0 1 EIAF CC[C@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 587415303 ZSTFORATGRXMCX-RTWAWAEBSA-N 337.419 4.389 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C(C)C)CC2=O 587491498 TZZVRQQWPCDXIF-HXUWFJFHSA-N 325.408 4.256 0 1 EIAF O=C1C[C@H](c2cc(Cl)cnc2O)Oc2c1ccc1c2CCCC1 587500540 PUZDWDBXISEOJD-MRXNPFEDSA-N 329.783 4.026 0 1 EIAF C[C@]1(c2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587523051 GVCKDNIOMFDQFI-OAQYLSRUSA-N 348.402 4.028 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccs1 587869791 RUXAAAVEDAZHRS-UHFFFAOYSA-N 339.342 4.082 0 1 EIAF CC(=O)Nc1cccc(-c2ccc3nnc(-c4ccccc4)n3c2)c1 653667556 KATHPVWUEZDJRL-UHFFFAOYSA-N 328.375 4.022 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@H]3CCO[C@@H]2CCCCO2)cc1 962659176 AYLFUJWBLFGYOJ-FCHUYYIVSA-N 337.463 4.474 0 1 EIAF O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1-c1cccnc1 1772586299 PWSQHDIELLUMDK-UHFFFAOYSA-N 333.778 4.101 0 1 EIAF CN1C[C@](O)(c2ccc(/C=C/c3ccccc3)cc2)O[C@H]2CCCC[C@H]21 1857645043 ZVTVLKMLXPPMKV-LJDWBKQHSA-N 349.474 4.275 0 1 EIAF Cc1cccc(NC(=O)Nc2nc3ncccn3c2-c2ccccc2)c1 203466145 UVQLFFNFNWFNDR-UHFFFAOYSA-N 343.390 4.349 0 3 EIAF Brc1cccc(Nc2ncnc3[nH]c4c(c23)CCCC4)c1 3815244 IVQMCCDVGIYFDZ-UHFFFAOYSA-N 343.228 4.343 0 1 EIAF CCOc1cc2c(cc1O)C(=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13809104 MWMQARHZUCGXAL-PVMQWSNJSA-N 344.451 4.038 0 1 EIAF CC[C@@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC 14824895 RNCWKUCWPBNWOH-KHTNZIKOSA-N 333.516 4.292 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@H]12 26396885 ZAZGULUMJMBMJD-DLPAQYCSSA-N 331.500 4.009 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348.219 4.140 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC(C)(C)c4ccccc41)[C@@H](C2)C3=O 587446884 HMBWFDHJFWMOAQ-HTAPYJJXSA-N 334.415 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1)CC2=O 587476062 CGLJMGPXMTXSCI-SFHVURJKSA-N 342.391 4.068 0 1 EIAF COc1cccc2c1CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587526424 SSXNHXWCFQOLRE-HSZRJFAPSA-N 348.442 4.467 0 1 EIAF COc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(OC)c1O 587785024 GZWAKZDARUVTCF-UHFFFAOYSA-N 326.396 4.250 0 1 EIAF CC(C)OCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792129 LFXOVPUMQXUTFJ-ZBEGNZNMSA-N 344.268 4.153 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587823996 SVPVXXCGLDKCGZ-HCUBBDJBSA-N 336.248 4.376 0 1 EIAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc2n1 587873548 HHMAGHNSVORZKZ-UHFFFAOYSA-N 345.333 4.340 0 1 EIAF C[C@@H]1CCC[C@H](NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)[C@@H]1C 587875370 DLQSKHQITITYDD-GYSYKLTISA-N 345.443 4.342 0 1 EIAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(Cl)cc1Cl 617981671 VRWXIZXUIOSDMH-OWRWYXLESA-N 345.251 4.190 0 1 EIAF CC(C)=CCCC(C)=CCc1c(O)c2c(CO)cccc2oc1=O 2356485731 QXEJTIKYDZWZFU-UHFFFAOYSA-N 328.408 4.226 0 1 EIAF C[C@@H](C=C[C@@H](C)[C@@H](C)CO)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@H]3CC[C@@]21C 2356581787 KTECGYIRZKGESY-ZBTRAZBXSA-N 332.484 4.121 0 1 EIAF Cc1ccsc1C(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 14952500 QTJCBJBIQYQECX-MRXNPFEDSA-N 348.899 4.104 0 3 EIAF CCN(CC)C(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 201441682 ZZHJMUGGMGTQIS-UHFFFAOYSA-N 335.403 4.250 0 3 EIAF CC(C)C(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)C 28237306 UEYJURIORREEAK-HOTGVXAUSA-N 343.298 4.465 0 1 EIAF COc1cccc2oc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)cc12 40859907 ZFIPNGYGAAREFA-NVNXTCNLSA-N 339.372 4.476 0 1 EIAF CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCO)c3[C@H](C1)C2 45320367 DYEVLJICQPJCQW-QWHCGFSZSA-N 328.843 4.288 0 1 EIAF CC(=O)N1CCC[C@@]1(CC1CCCCC1)C(=O)OCc1ccccc1 49067686 TYIVCEKQVDRTNK-OAQYLSRUSA-N 343.467 4.081 0 1 EIAF CCOc1cccc(-c2nc(CNc3ccc(N(C)C)cc3)co2)c1 72102133 DYMRSLRARXKVMF-UHFFFAOYSA-N 337.423 4.418 0 1 EIAF COc1ccncc1[C@@H](OC(=O)N(C)C)c1cccc2ccccc12 103198765 ZUSNVBRKVPDKMY-IBGZPJMESA-N 336.391 4.031 0 1 EIAF CCc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1CC 586879874 SXZOCVHLESOUJO-UHFFFAOYSA-N 338.407 4.150 0 1 EIAF Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Cl 587076310 OYPYTTFIGYGDOV-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Oc1nccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095100 PNNNBIOUJLVARD-UHFFFAOYSA-N 347.218 4.368 0 1 EIAF Fc1cc(Cc2nc3c(Cl)ncnc3[nH]2)ccc1-c1ccccc1 587145679 NOMUVQFXMJUPMB-UHFFFAOYSA-N 338.773 4.403 0 1 EIAF Cc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1 587146507 OGCNNCAOFVOZQN-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1 587160536 CXRWZPDUGKBNBL-WDEREUQCSA-N 332.176 4.131 0 1 EIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4ccccc4cc3[nH]1)C2 587247596 ULZBFDDQTLDKQM-JOCHJYFZSA-N 343.430 4.068 0 1 EIAF C[C@@H]1SCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587371392 DGEJORNTJMHAAG-AHYKXKOGSA-N 344.407 4.154 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(F)c1F)[C@@H](C2)C3=O 587422273 CRWJUJIYHHKYKB-BTDLBPIBSA-N 336.721 4.116 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccs1)[C@@H](C2)C3=O 587448800 CPULJURLCCZLSX-HRAATJIYSA-N 348.423 4.448 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC)cc1)CC2=O 587472230 ZPHZROGTIBSQML-HXUWFJFHSA-N 325.408 4.267 0 1 EIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccs3)[nH]c12 587637913 QUVXLTQUFWKNMP-UHFFFAOYSA-N 339.294 4.340 0 1 EIAF COc1ccc(CCCc2nc3ccc(F)c(C)c3[nH]2)c(OC)c1 587929559 WWBXNEZBAQVIBE-UHFFFAOYSA-N 328.387 4.203 0 1 EIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587962981 KZUUYOSVAUHLDU-HOCLYGCPSA-N 334.419 4.300 0 1 EIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cccc(OC)c1 653700539 XISIBLIARWQUFP-UHFFFAOYSA-N 346.386 4.033 0 1 EIAF COc1ccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963108698 XXWFQIQQEPJOKR-NQIIRXRSSA-N 325.427 4.427 0 1 EIAF CC[C@H](C)[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177465 JXYASPARRZHBCB-NYNLCMDTSA-N 335.753 4.045 0 1 EIAF CCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C)ccn1 13524506 CYGBQFZNIADYFY-UHFFFAOYSA-N 342.443 4.442 0 1 EIAF CCCCCCSc1nc(O)c2nc(-c3ccccc3)[nH]c2n1 13756641 RKBBGTGBNCABPV-UHFFFAOYSA-N 328.441 4.398 0 1 EIAF Cc1ccc(-c2cc3cc(C)ccc3c(N3CCN(C)CC3)n2)cc1 27524098 TUODPWDNYPDJGL-UHFFFAOYSA-N 331.463 4.270 0 1 EIAF Cc1ccc(CC2CCN(C(=O)c3cc4ccc(O)cc4[nH]3)CC2)cc1 35259614 FWGXKLIKRHXTKJ-UHFFFAOYSA-N 348.446 4.277 0 1 EIAF c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1 40430930 RPDZLBGRHMNTST-OAQYLSRUSA-N 345.446 4.399 0 1 EIAF Cc1ccnc(Nc2nc3ccc(C(=N)NC(C)C)cc3s2)c1 40898521 WXZMFJMVXRCJPU-UHFFFAOYSA-N 325.441 4.067 0 1 EIAF CN1CCCC[C@@H]1COC(=O)C(C)(c1ccccc1)c1ccccc1 43021861 PTONCNPTKJRKCL-HXUWFJFHSA-N 337.463 4.020 0 1 EIAF CCc1cccc2ccn(C[C@H](O)CSc3ccc(OC)cc3)c12 84706236 DWVGRYXXCQOYHT-KRWDZBQOSA-N 341.476 4.366 0 1 EIAF Clc1ccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 96269806 FPADTPVYUWRHCI-FPYGCLRLSA-N 340.766 4.332 0 1 EIAF CCOC1(OCC)[C@@H]2c3c(C)cccc3[C@H]([n+]3ccccc32)C1(C)C 100714877 DNFVMODMZCENJC-PMACEKPBSA-N 338.471 4.126 0 1 EIAF Cc1ccc(NC(=S)Nc2sc3c(c2C(=O)O)CCCC3)cc1 137863119 MFLSXOWSOKVQPB-UHFFFAOYSA-N 346.477 4.442 0 1 EIAF C[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149752673 OJPDNHCQSDWYCT-JTQLQIEISA-N 336.416 4.135 0 1 EIAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C2 238736345 GXJDGTHMUZRSEA-AFHBHXEDSA-N 332.440 4.396 0 1 EIAF CCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2[nH]c1=N 473111573 AFHVJGVQTUATRF-UHFFFAOYSA-N 347.462 4.070 0 1 EIAF O=C(NCc1cc(F)ccc1F)c1nc2cc(Cl)ccc2s1 473249667 XXDHFYPOTBYVPG-UHFFFAOYSA-N 338.766 4.158 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1 586881281 VMFOCLDIJDDGSD-CMDGGOBGSA-N 332.281 4.450 0 1 EIAF Oc1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1 586899057 WMMFRJXVTNCZBQ-UHFFFAOYSA-N 342.358 4.184 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(F)c2[nH]1 586963898 RSOBEDKOHTXYMZ-LBPRGKRZSA-N 332.404 4.058 0 1 EIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(N)c4[nH]3)c21 587031764 VBMHIJYFVVLUFG-LLVKDONJSA-N 349.463 4.499 0 1 EIAF Clc1ccc(-n2cc(-c3nc4cccc(Cl)c4[nH]3)nn2)cc1 587075943 MSHUWYLGPIZQSP-UHFFFAOYSA-N 330.178 4.117 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Cl)nc2[nH]1 587076280 UGUPIEJTNVXDDA-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Nc1cc(F)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1N 587137028 PCWOPGROLQUKLS-UHFFFAOYSA-N 348.381 4.112 0 1 EIAF OCCc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242189 ILWJXABXSCYQNV-UHFFFAOYSA-N 345.402 4.214 0 1 EIAF Nc1ccc2oc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2c1 587252585 ZTIXTTGDKOLPRW-UHFFFAOYSA-N 346.159 4.460 0 1 EIAF C[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343149 AGBLAMWVLBJWSV-UYAOXDASSA-N 337.350 4.134 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(C(C)(C)C)CC2=O 587471102 ZENMSWXUJQJHLO-YVNCXZRQSA-N 331.456 4.170 0 1 EIAF CCc1nn(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496416 BPCSCPJPHFXTEM-INIZCTEOSA-N 344.842 4.221 0 1 EIAF C[C@]1([C@@H]2CC2(Cl)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499093 RUOCPXJVJRDREL-GOEBONIOSA-N 325.235 4.483 0 1 EIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C 587617669 QIGSILQKRJSPGO-FXAWDEMLSA-N 336.343 4.305 0 1 EIAF COc1ccc(OC)c(-c2nc3cc(C)c(Cl)cc3[nH]2)c1OC 587790002 BDYRFAOLZFOOSY-UHFFFAOYSA-N 332.787 4.218 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCSC2)N1 587853621 AMWXSKWSUCUVBO-RFAUZJTJSA-N 342.277 4.227 0 1 EIAF CC(C)(C)OC(=O)NCCc1nc(-c2cc(F)ccc2F)cs1 587921781 YSQFPZJYPWOIEE-UHFFFAOYSA-N 340.395 4.156 0 1 EIAF CCCc1cc(OC)c(O)c([C@H](C)Cc2ccc3c(c2)OCO3)c1 685935661 CCDWCXQYAILFKD-CYBMUJFWSA-N 328.408 4.428 0 1 EIAF biogenic,in-vitro Fc1cc(F)c(F)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1F 963113554 UQKXEPFJGPEDLI-XTZNXHDOSA-N 339.307 4.492 0 1 EIAF O=C(O)c1cccc2c1CCN[C@@]21CCC[C@H]1c1ccccc1Cl 963124466 QXQCRJWIUOPIKD-PXNSSMCTSA-N 341.838 4.347 0 1 EIAF c1cncc(Cc2cc3c(s2)CCN2Cc4ccccc4C[C@@H]32)c1 1857630042 DBPAQZZDYZQGGC-FQEVSTJZSA-N 332.472 4.389 0 1 EIAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@H]2OCC(C)=C2C[C@@H]1O 2356378414 JLJVVACYDKDARP-VQTJNVASSA-N 346.467 4.019 0 1 EIAF CO[C@H](C)CCCCCCCCCc1cc(O)cc(O)c1C(=O)O 2356691329 GATBOCSPUDOBIM-CQSZACIVSA-N 338.444 4.494 0 1 EIAF c1ccc(-c2ccc(-c3n[nH]cc3CNC[C@H]3CCCCO3)cc2)cc1 15961895 VVLGHBRRYIRMOR-OAQYLSRUSA-N 347.462 4.402 0 3 EIAF COc1cc(SC)ccc1-c1nc2cc(-n3ccnc3)ccc2[nH]1 13651248 NQACDMCZZWYHOR-UHFFFAOYSA-N 336.420 4.146 0 1 EIAF CCOC(=O)CCc1c(-c2ccccc2)nc2ccc(Cl)cn12 13765486 HXMDUJIRYYQOPX-UHFFFAOYSA-N 328.799 4.150 0 1 EIAF c1ccc(-c2ccc(NCCCN3CCc4ccccc4C3)nn2)cc1 13794291 QVGWGVWPJHFSQO-UHFFFAOYSA-N 344.462 4.004 0 1 EIAF CCSC[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1CC 28890287 OJBNBZBISQSEAA-CQSZACIVSA-N 333.284 4.324 0 1 EIAF c1ccc([C@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 45302635 NGZOPRDEDJOWJS-HXUWFJFHSA-N 329.447 4.140 0 1 EIAF Cc1ccccc1-c1nc(Cn2nc(N)cc2-c2ccccc2)co1 72182858 AIELGUUKOBQBIF-UHFFFAOYSA-N 330.391 4.144 0 1 EIAF Clc1ccc2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2c1 96282681 BBTOCHYFQHOWFS-UHFFFAOYSA-N 341.842 4.358 0 1 EIAF CCOC(=O)NCCOc1ccc(Oc2ccc(Cl)cc2)cc1 103273260 XZFYFRNAOMLGAZ-UHFFFAOYSA-N 335.787 4.257 0 1 EIAF Cc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1C 114337482 ATNOGRXONZLRGS-HXUWFJFHSA-N 334.467 4.256 0 1 EIAF CO[C@@H]1C[C@@](C)(O)[C@@H](CC[C@H](C)CCO)[C@@]2(C)CCCC(C)(C)[C@H]12 238755904 CZKGVMNZYSYJDS-ZTEVBBAKSA-N 340.548 4.404 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)cc2[nH]1 586915553 FVHNPGSGXCMSRR-KUHUBIRLSA-N 340.810 4.433 0 1 EIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2n1 587026948 KQCHIYBUBSOAGP-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587067608 HAYYGKDRPGRDRH-SNVBAGLBSA-N 330.771 4.363 0 1 EIAF CCCn1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587431101 MOZZXLJBWCCELV-OXQOHEQNSA-N 325.408 4.012 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C(C)(C)C)nc1)CC2=O 587491943 VDOKDIYOZKQHAU-QGZVFWFLSA-N 340.423 4.139 0 1 EIAF CC(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587516761 ZLNBMRRGLHFCMC-NRFANRHFSA-N 335.403 4.044 0 1 EIAF CC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526030 UVTUZROKLAZACU-FQEVSTJZSA-N 336.387 4.197 0 1 EIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601539 SSSRKFMRLQQZAX-NQIIRXRSSA-N 348.354 4.104 0 1 EIAF Fc1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1-n1cccn1 587952040 XBRPPNYMBVSUBS-UHFFFAOYSA-N 348.381 4.486 0 1 EIAF Clc1ccc2c(Oc3ccc(C4=NCCCN4)cc3)ccnc2c1 1857537863 TUENKDCYGPOBTD-UHFFFAOYSA-N 337.810 4.420 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H](C)C(C(=O)O)=C3CC[C@H]12 2356668761 ANHLKXBWFSLYAB-NBQKNHDFSA-N 334.456 4.193 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 61895440 ABNHSFGBKYJILA-MRXNPFEDSA-N 348.324 4.186 0 3 EIAF O=C(Nc1ccc(Cl)cc1)OCc1ccc(Cc2c[nH]cn2)cc1 13439928 GVMQLOKLYCETLA-UHFFFAOYSA-N 341.798 4.403 0 1 EIAF Cc1cccc2[nH]cc(C[C@H](C)NC[C@@H](O)c3cccc(Cl)c3)c12 13488806 ZBBKSSFBAYHGKM-IFXJQAMLSA-N 342.870 4.384 0 1 EIAF CC(C)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@@H]3O 14825294 OAZOMSZXYCHYNG-VJARNRFFSA-N 330.468 4.472 0 1 EIAF biogenic Oc1ccc(-c2nnc(-c3ccccc3Br)s2)c(O)c1 28712180 ABEOGPVWBZTVJD-UHFFFAOYSA-N 349.209 4.046 0 1 EIAF CC(C)(CC(=O)O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 40631591 CQEFFLTWWJUHDY-UHFFFAOYSA-N 342.826 4.490 0 1 EIAF Cc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)n1 40763183 CQTKZKMYNSGRDZ-UHFFFAOYSA-N 332.403 4.264 0 1 EIAF COc1cc(OC)c2c(=O)cc(/C=C/c3ccc(F)cc3)oc2c1 43078187 ONFYHNSRVATPOL-VMPITWQZSA-N 326.323 4.120 0 1 EIAF COc1ccc2c(c1)[nH]c1c(C(=O)c3c[nH]c4ccccc34)nccc12 73310736 PGGWEUVCQQRYQR-UHFFFAOYSA-N 341.370 4.437 0 1 EIAF O=C(NC1CCCCCC1)c1cccnc1OCc1ccc(F)cc1 84618146 YOVWNYALVOUGJO-UHFFFAOYSA-N 342.414 4.252 0 1 EIAF O=C(O)c1ccc2nc(N3CCCCCC3)c(-c3ccccc3)nc2c1 116230020 IOQRYMVDJHUTPG-UHFFFAOYSA-N 347.418 4.375 0 1 EIAF O=c1oc(-c2ccccc2O)cc(O)c1SCc1ccccc1 141412504 QBORNDNRSLDUAJ-UHFFFAOYSA-N 326.373 4.010 0 1 EIAF Oc1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1 143173424 FXYFPGHBBFPMEI-UHFFFAOYSA-N 329.359 4.452 0 1 EIAF COC(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 586964275 WOVZEIJAGZILBZ-GFCCVEGCSA-N 326.421 4.344 0 1 EIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587169584 ZUEMWGVJBXOYOH-MRVPVSSYSA-N 325.265 4.256 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3C=CC[C@H]32)[C@H]1c1ccc(F)cc1 587353351 OWPIZFGWNDGDTL-FRMWTETBSA-N 336.362 4.225 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(F)c1F)CC2=O 587465591 IVHVAVHPWAEBQM-OAHLLOKOSA-N 334.318 4.035 0 1 EIAF O=C1C[C@@H](c2cccc(-n3cccn3)c2)Oc2c1ccc1c2CCCC1 587516564 DDYLZGBQORXJCS-NRFANRHFSA-N 344.414 4.458 0 1 EIAF COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(OC)c1C 587786034 BBJCDERMFPHQRS-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccs2)N1 587847856 LYTQAMGUWBBOAO-RFAUZJTJSA-N 340.261 4.447 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1 587873311 YSEVUDXFKFTHOW-UHFFFAOYSA-N 341.411 4.333 0 1 EIAF CC(C)(C)OC(=O)NCCc1nc(-c2ccc(F)c(F)c2)cs1 587921974 DYYSWLPXTZFEIW-UHFFFAOYSA-N 340.395 4.156 0 1 EIAF c1ccc(N2N=C(c3ccc4c(c3)OCCO4)C[C@H]2c2ccco2)cc1 653912925 YGRWKZAKOKYXRJ-SFHVURJKSA-N 346.386 4.407 0 1 EIAF Cc1ccccc1[C@]1(CC(C)C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034949 VXAOJFBNOHNZTE-SBUREZEXSA-N 348.490 4.338 0 1 EIAF Cc1cc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cnc1Cl 963118926 XXTKTLUFAGTFHW-HNAYVOBHSA-N 330.834 4.467 0 1 EIAF COc1ccccc1[C@H](C)NC[C@H]1C[C@H]1c1cc(F)ccc1OC 1772583663 BONWNEKKSLDYSH-JJRVBVJISA-N 329.415 4.297 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C=C(CO)[C@@H](CC[C@H]32)C4)C1(C)C 2356533360 AWZPBJFLHAFGDK-WMBWZRLZSA-N 346.511 4.489 0 1 EIAF CCCCCC=CCC=CC=C[C@H](O)[C@@H](O)C=CCCCC(=O)O 2356829975 JCPDEYQXMPRZEG-OALUTQOASA-N 336.472 4.158 0 1 EIAF Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)o1 925490 ZCEAGRMZVQETDM-UHFFFAOYSA-N 345.468 4.465 0 3 EIAF C[C@@H](C(=O)NCCCN(C)C)c1cccc([C@H](C)c2ccccc2)c1 13646287 NVUXVWRRQPPOSD-QZTJIDSGSA-N 338.495 4.010 0 1 EIAF COc1ccc2cc([C@H](c3ccc(Cl)cc3)n3cncn3)oc2c1 13680622 NSSXLAQTZVKYHU-SFHVURJKSA-N 339.782 4.324 0 1 EIAF C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 26183963 LKAJKIOFIWVMDJ-JTMBTRGLSA-N 328.500 4.118 0 1 EIAF CC(C)OC(=O)CCCc1ccc2c(c1)C(=O)c1sccc1CO2 27208476 VEKVCOAIWRPOLE-UHFFFAOYSA-N 344.432 4.146 0 1 EIAF CCOC(=O)/C=C(C)/C=C/C[C@H](C)CC[C@H](OC)C(C)(C)OC 29312771 XTUMFTHYMVBWBB-NLJGPBEFSA-N 326.477 4.298 0 1 EIAF COc1ccc(NC(=O)/N=c2\cc(C)[nH]c3ccccc23)cc1Cl 35049738 XHNLBHIDLMMRFX-UHFFFAOYSA-N 341.798 4.271 0 1 EIAF c1ccc2c(c1)OC[C@@H](c1nc3ccc(-c4ccncc4)cc3[nH]1)O2 49066826 ZBHBALGCRCAEBS-IBGZPJMESA-N 329.359 4.137 0 1 EIAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C 53050145 YAPCYKZPQAMZQI-UHFFFAOYSA-N 346.478 4.347 0 1 EIAF CCCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 58500024 VZKOPMVAYWETQC-CTNGQTDRSA-N 325.500 4.199 0 1 EIAF Cn1c(-c2ccc(N)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71330025 WCWFBOFEKMTOAY-UHFFFAOYSA-N 338.842 4.188 0 1 EIAF CC(=O)N[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 72113845 IPHZKRRKEVFZLV-INIZCTEOSA-N 336.218 4.444 0 1 EIAF Cn1c(-c2ccccc2)nc2cnc(Nc3ccc4c(c3)OCO4)cc21 82083128 RYHLDQRMYNRDNN-UHFFFAOYSA-N 344.374 4.108 0 1 EIAF c1ccc(NCCNc2nc(-c3ccccn3)nc3ccccc23)cc1 96269550 XIHGSINPKFADRG-UHFFFAOYSA-N 341.418 4.216 0 1 EIAF CCC(=O)C[C@H]1c2ccccc2N=C(n2ccnc2)N1c1ccccc1 103176603 ODOXNMSBDNNFMF-FQEVSTJZSA-N 344.418 4.349 0 1 EIAF CC(=O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243547 RESBUGNNNRVTOF-UHFFFAOYSA-N 328.751 4.228 0 1 EIAF c1ccc(CONCCOc2ccc(Cc3ccccc3)cc2)cc1 103286974 URPNCJXZVCAHCN-UHFFFAOYSA-N 333.431 4.378 0 1 EIAF O=C1NC[C@@H](c2cccc(Cl)c2Cl)N1c1ccc2[nH]cnc2c1 116195526 YVAVPYJCIDFSNA-AWEZNQCLSA-N 347.205 4.141 0 1 EIAF C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1 142463349 BAJAWQMEVZMBNZ-SNVBAGLBSA-N 341.213 4.249 0 1 EIAF CCCSc1nc([C@H](C)c2c(F)cccc2Cl)cc(=O)[nH]1 169352182 YVAJHGRFTNLYKN-VIFPVBQESA-N 326.824 4.216 0 1 EIAF Cc1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017330 JQLCPHACAIVLET-UHFFFAOYSA-N 327.800 4.105 0 1 EIAF Cc1c(Cl)ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 587022472 ZLTLOKCQPJODSQ-UHFFFAOYSA-N 329.816 4.049 0 1 EIAF Oc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587041385 NEECBSRHLTXITC-UHFFFAOYSA-N 344.461 4.326 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cc(F)c2[nH]1 587065745 YEVLVOIPIYIHAG-UHFFFAOYSA-N 348.761 4.064 0 1 EIAF Cc1nccc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587076504 MRRONOFMPRJVGW-MRXNPFEDSA-N 326.831 4.257 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1C 587125655 SIFCIESUUWSZFE-TVQRCGJNSA-N 349.360 4.351 0 1 EIAF O=C(Nc1cccc(-c2nc3cnccc3[nH]2)c1)c1ccc(F)cc1 587164028 QKHBKOKEPLLFEN-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF CCc1c(-c2cc3ccc(O)cc3oc2=O)nc2cccc3c2c1CC3 587216836 OJNDWANUWHYBNO-UHFFFAOYSA-N 343.382 4.375 0 1 EIAF Nc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c2ccccc2c1 587251590 JYLCTEFWCNRMLH-UHFFFAOYSA-N 328.297 4.379 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCNCC3)c1 587362533 JPMVCFUFIMEIJV-UHFFFAOYSA-N 344.414 4.345 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@]2(C)CC[C@H]1C2(C)C 587477567 DBLWOEYVXFJPPA-ORYQWCPZSA-N 342.435 4.074 0 1 EIAF CC(C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515133 LGFHOYBUMLTVCZ-IBGZPJMESA-N 337.419 4.454 0 1 EIAF CC1(C)[C@@H]2OCCC[C@@H]2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587534345 ZDQKTWWHIFZQIS-LDQXTDLNSA-N 326.436 4.104 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1CN1C(=O)c2ccccc2C1=O 587631705 IZQUISYORMVUAA-UHFFFAOYSA-N 342.757 4.065 0 1 EIAF CCn1cc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)c(C)n1 587633639 INXYGDFUNNFVFS-UHFFFAOYSA-N 339.292 4.244 0 1 EIAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 587635714 PQYZXJSVADYAGR-LLVKDONJSA-N 336.407 4.082 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc[nH]c32)N1 587801083 DIMSKKAJLZQCBF-BMLIUANNSA-N 349.247 4.030 0 1 EIAF COc1cccc(NCc2ccc(CNc3cccc(OC)c3)nc2)c1 1857553421 VQOBWHIVVINHOZ-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF CN(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1 1857633047 TZILIAOKSRIZHK-UHFFFAOYSA-N 328.318 4.206 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]24CNC(C)=C2CC[C@H]34)C1 2356484939 MWTHHJZKMUONAM-BPORMVBISA-N 326.528 4.395 0 1 EIAF C[C@@H](CCc1ccco1)NC(=O)c1cc2sc(Cl)cc2n1C 6804706 OCCISHVGPMOVNM-JTQLQIEISA-N 336.844 4.237 0 1 EIAF CN(CC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)CC1CC1 13779216 ALTIXRRWNZGIQY-UHFFFAOYSA-N 329.484 4.179 0 1 EIAF C[C@H]1CN(CCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13833009 REBPJSIVAMSPEC-LAUBAEHRSA-N 325.452 4.071 0 1 EIAF CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccc(C(F)(F)F)cc2)=NC1=O 14953724 GOSFVWMAOHSRRE-ZUZCIYMTSA-N 344.402 4.400 0 1 EIAF CCCC[C@@H]1[C@@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC 28005351 YSENRDPXKUGFHX-VKJFTORMSA-N 341.448 4.119 0 1 EIAF O=C(c1cnc(Nc2ccc(F)cc2)c2ccccc12)n1ccnc1 28871006 JQPYHHZLBHAJAX-UHFFFAOYSA-N 332.338 4.003 0 1 EIAF COc1ccccc1CN[C@H]1[C@@H]2CCN[C@@]1(c1ccccc1)CC=C2C 29344897 HMCACXWESDLLOQ-AKIFATBCSA-N 348.490 4.008 0 1 EIAF CC(C)N1C(S)=N[C@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 39290308 NAHKXBCUSYETRQ-QGZVFWFLSA-N 344.411 4.158 0 1 EIAF Cc1ccc(CN(C)CCCCn2c(=O)oc3ccccc32)c(C)c1 43079551 ZPGCVPHXEZTDIN-UHFFFAOYSA-N 338.451 4.124 0 1 EIAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(Cl)cc12 45194217 ZBEQZRMGMFYEQT-YRQNITAISA-N 330.859 4.042 0 1 EIAF CC(C)Cc1cn(-c2nc(C(=N)N)cs2)c2cc(Cl)ccc12 45334552 RELMTPMJLWWXQN-UHFFFAOYSA-N 332.860 4.223 0 1 EIAF c1cncc(-c2ccc3c(c2)CCc2nnc(C4CCCCC4)n2-3)c1 143881472 HDNHONFDXAXTHX-UHFFFAOYSA-N 330.435 4.476 0 1 EIAF CCCCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 149635430 LEVYQVUUHLCZEF-UHFFFAOYSA-N 343.430 4.374 0 1 EIAF CC1(C)CCN(CCOC(=O)[C@@H](c2ccccc2)[C@@H]2C=CCCC2)C1 255972838 FVTFMKWTHZZTJA-UXHICEINSA-N 341.495 4.402 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4C(=O)O)CC[C@@H]12 257702707 YQNLDLVKFNZFTI-HPCGQBGXSA-N 332.440 4.105 0 1 EIAF endogenous,in-man CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2Br)C1 299853738 PCFDQUUPZHZBEJ-PBHICJAKSA-N 330.269 4.457 0 1 EIAF Cc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1F 586982649 NLHISLMZNGPHBA-UHFFFAOYSA-N 333.160 4.252 0 1 EIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc[nH]c-4n3)c21 587031917 WMZCUGOZVFJNEV-NSHDSACASA-N 335.436 4.264 0 1 EIAF COc1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2n1 587066822 SALXKZVPZLIREU-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)ncc3[nH]2)c1 587160532 CXRWZPDUGKBNBL-GHMZBOCLSA-N 332.176 4.131 0 1 EIAF CN(C)c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)nc1 587195505 WLMKTRDVXPUNHU-UHFFFAOYSA-N 344.418 4.270 0 1 EIAF CC(C)(C)OC(=O)N1CC[C@@](F)(c2cc3c4c(cccc4n2)CC3)C1 587210267 MBENUWOFFKSOID-FQEVSTJZSA-N 342.414 4.139 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccc(F)cc1)O2 587384393 LJFNOHBCFBBLOJ-OAQYLSRUSA-N 348.377 4.020 0 1 EIAF C[C@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529321 NMHNTHYSPXEULH-OAQYLSRUSA-N 336.387 4.144 0 1 EIAF Nc1c(-c2nc3ccccc3s2)c(O)cn1-c1ccc(F)cc1 957654218 OJDGTIKLIZIIGF-UHFFFAOYSA-N 325.368 4.181 0 1 EIAF Cc1cccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)n1 962693428 BPLODOLYWAUKPD-QRWLVFNGSA-N 342.483 4.156 0 1 EIAF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2ccccc12 1772622077 KMRDUCMCYNIZHD-UHFFFAOYSA-N 334.297 4.197 0 1 EIAF C[C@H](Oc1cc(-c2cncnc2)cnc1N)c1cc(F)ccc1Cl 1911579467 FATWIKWDMICKIP-JTQLQIEISA-N 344.777 4.053 0 1 EIAF CC(C)=CCCC(C)=CCC[C@@]12CO[C@@H](c3cc(O)ccc3O1)[C@H]2O 2356868462 XBXXQDQGWHKRIM-HBMCJLEFSA-N 344.451 4.429 0 1 EIAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)c1cccc(F)c1 96018873 UJSIODBPGBBCBV-PRWBYUBPSA-N 337.394 4.262 0 3 EIAF COc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1 4258420 JWPBMKVTMOMOCB-UHFFFAOYSA-N 342.402 4.313 0 1 EIAF CC(C)(Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 26399442 DAEVZAJWHDCRMJ-UHFFFAOYSA-N 348.786 4.226 0 1 EIAF CC[C@H](c1ccccc1)N1CC[C@@H](Oc2cccc3ccc(N)nc23)C1 28385771 UBLUGNHBXHKVSI-RTBURBONSA-N 347.462 4.421 0 1 EIAF CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1CCCCC1 35091026 FYJWORFPPXRLHE-UHFFFAOYSA-N 339.487 4.423 0 1 EIAF Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCNCC5)cc34)[nH]c2c1 66077825 HOVIRZRWYMMTJB-UHFFFAOYSA-N 345.450 4.184 0 1 EIAF Cc1ccc(NC(=O)c2occc2C)cc1-c1nc2ncccc2o1 96914397 SWFNGIJTQVKXNU-UHFFFAOYSA-N 333.347 4.352 0 1 EIAF O=C1CN(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1 114711850 LNMMKKNXJRCNIT-UHFFFAOYSA-N 341.499 4.022 0 1 EIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4CCN4)cc3)cc12 219341169 SPOIIXXITCGCHO-MRXNPFEDSA-N 326.783 4.221 0 1 EIAF C[C@@H]1OC(=O)C2=C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]21 238780230 BQYBRRZKGRWUCZ-DEULOKGPSA-N 343.511 4.340 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2cccc(OC(F)(F)F)c2[nH]1 586878447 DMWSDHHGTCLPFP-CMDGGOBGSA-N 348.280 4.330 0 1 EIAF FC(F)(F)c1cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586883362 BIMGMTHXNDIXPC-GUYCJALGSA-N 329.325 4.348 0 1 EIAF O=c1ccc2cc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)ccc2o1 586916569 IGYDYFIMBLHDFY-UHFFFAOYSA-N 348.255 4.494 0 1 EIAF Clc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587039768 FQZZLAWGFLVAQG-LSDHHAIUSA-N 329.856 4.163 0 1 EIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cncc(Cl)c2[nH]1 587075194 GBOBQIKWAKTYCU-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF COc1ccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c(F)c1 587149489 TYDJOOYZZWHXCS-UHFFFAOYSA-N 349.203 4.372 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(C(C)C)O2 587384754 OLBVGPJGKCDBAC-HXUWFJFHSA-N 327.399 4.319 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCC(F)(F)F 587548608 ODTWXAOGRDDKHU-OCCSQVGLSA-N 338.281 4.065 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccs2)N1 587847946 NBFYHYRWGJDYFV-BJOHPYRUSA-N 340.261 4.447 0 1 EIAF O=[S@@](Cc1cscn1)C(c1ccc(F)cc1)c1ccc(F)cc1 1857543228 KPNXJZLZXZWKIO-QHCPKHFHSA-N 349.427 4.460 0 1 EIAF Oc1nc(SCCN2CCCCC2)nc2c1sc1ccccc12 1857566695 SBQPOQLYIGLQCY-UHFFFAOYSA-N 345.493 4.128 0 1 EIAF CCCC[C@@]1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857570861 PKQYADKRCLSKMX-SFHVURJKSA-N 330.815 4.414 0 1 EIAF O=c1c(OCCCCO)coc2cccc(CC3CCCCC3)c12 1857748258 STJXLWJDBQNAGI-UHFFFAOYSA-N 330.424 4.067 0 1 EIAF CC(C)=CCOc1cccc2c3c(c(=O)n(C)c12)C=CC(C)(C)O3 5158829 PPKRQTDEMNWCIU-UHFFFAOYSA-N 325.408 4.068 0 1 EIAF biogenic COc1ccc2c(c1)NC(c1cccnc1)=NC(c1ccc(F)cc1)=N2 6743608 VVTNUFOZIJCNFP-UHFFFAOYSA-N 346.365 4.180 0 1 EIAF COc1ccc(C(=O)Nc2c(C)nsc2C)cc1OC1CCCC1 13737010 FJGQURIEVYBGRN-UHFFFAOYSA-N 346.452 4.342 0 1 EIAF C[C@@H]1Cc2c(O)c3c(c(O)c2O1)[C@]1(C)CCCC(C)(C)[C@H]1CC3=O 14765517 DWVBZTIYCORWPB-REWMRKHYSA-N 330.424 4.092 0 1 EIAF biogenic CCCCC[C@@H](O)CCCCC[C@@H](O)Cc1cc(O)cc(OC)c1 14772288 JTFPNHYBWFZKEX-QZTJIDSGSA-N 338.488 4.196 0 1 EIAF biogenic Cc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1 14964113 JCCLYBLQSDKYDK-UHFFFAOYSA-N 332.379 4.427 0 1 EIAF CN(C)c1ccnc2sc3c(=O)n(C4CCCCC4)ccc3c12 35282661 JDKLUVRUHNLSBJ-UHFFFAOYSA-N 327.453 4.182 0 1 EIAF CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3cccc(O)c3)oc12 40981314 FGSGCPXLXGRXJH-UHFFFAOYSA-N 338.359 4.086 0 1 EIAF CCn1c(=S)sc2c(NC(=S)Nc3ccccc3)ncnc21 45283486 QHAXIHDZVWMNTO-UHFFFAOYSA-N 347.494 4.051 0 1 EIAF Clc1ccc2c(-n3cc(COc4ccccc4)nn3)ccnc2c1 64539855 LWVQHMDEAFGJND-UHFFFAOYSA-N 336.782 4.048 0 1 EIAF CC(C)(Oc1ccc(COc2nc3ccccc3s2)cc1)C(=O)O 95558932 WNWHZGJQNRHVGU-UHFFFAOYSA-N 343.404 4.117 0 1 EIAF O=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)cc1 96907588 LXUFINWHDHGLMU-UHFFFAOYSA-N 335.403 4.393 0 1 EIAF C[C@@]1(CC(=O)O)CC[C@@H]2[C@](C)(CC[C@@H]3[C@@](C)(CO)CCC[C@]32C)O1 238759514 VUGGKUMCQFGQDJ-YSDUZXLGSA-N 338.488 4.004 0 1 EIAF CN(C)[C@H]1[C@H](c2ccccc2)[C@H]2CC[C@H]1[C@H](OC(=O)c1ccccc1)C2 253689958 RNZUABSIOANGLF-VNXMGFANSA-N 349.474 4.356 0 1 EIAF O=C(NCCCCN1CCCCC1)c1ccc(-c2ccccc2)cc1 299858406 GOEROORNWIUKPG-UHFFFAOYSA-N 336.479 4.350 0 1 EIAF COC(=O)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587020965 DWJUABGPIHKEOC-UHFFFAOYSA-N 349.415 4.064 0 1 EIAF Fc1cnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587113219 UFPPEMVYVIXHBA-UHFFFAOYSA-N 332.260 4.331 0 1 EIAF FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587115424 OBFSJGGXPGISBB-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF C[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)O 587205636 AOZIFIZZOBBNRL-VXGBXAGGSA-N 343.382 4.197 0 1 EIAF CC(=O)NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC(C)CC1 587233798 DFPACWMRPVJMJY-UHFFFAOYSA-N 341.789 4.036 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OC(C)C)O2 587402022 VJBZNFHWTATMJL-FQEVSTJZSA-N 325.408 4.245 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C[C@H]1CCCO1 587860565 XARQFQAZJBGIGL-GFCCVEGCSA-N 341.238 4.435 0 1 EIAF O=C(Cn1ccc2ccccc21)n1nc2cc1Oc1ccc(F)cc1-2 587875621 SRXCFYFMJJDJJX-UHFFFAOYSA-N 333.322 4.090 0 1 EIAF CCOC(=O)CCCC[C@]1(C2CC2)NCCc2c1sc(C)c2C 963007078 GCINYZAJVMZTIU-LJQANCHMSA-N 335.513 4.239 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(C)n(C2CC2)c1C 963052943 HNMYXRKLHOQUPU-JOCHJYFZSA-N 347.462 4.232 0 1 EIAF CC=CC(=S)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356397688 HHPQBRSGRYPIDJ-ZQRXOBFBSA-N 334.481 4.363 0 1 EIAF CC1(C)O[C@H]2C[C@@H](C(C)(C)C)OC(=O)[C@H]2[C@@H](C=Cc2ccccc2)O1 2356473029 QOMQQUBHNROENK-OWSLCNJRSA-N 344.451 4.198 0 1 EIAF CCCCCC=CC[C@H](O)CCC=CC=C[C@@H](O)CCCC(=O)O 2356521833 NKUPFHTVILUPKF-RBUKOAKNSA-N 338.488 4.382 0 1 EIAF CC[C@]1(c2cccc(OC)c2)Oc2ccccc2-n2cccc2C1=O 24168 GKVZGXXACNPWOI-OAQYLSRUSA-N 333.387 4.367 0 1 EIAF CN(Cc1ccccc1)C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 429569 UXHQQQCSDIIIKT-UHFFFAOYSA-N 348.427 4.015 0 1 EIAF CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3799362 DMMCZKJYFDDMTI-QKYFFWMQSA-N 347.543 4.381 0 1 EIAF C[C@@H]1CCc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C1 4247007 RFKGRNHCDPISFS-UZNLNLPZSA-N 330.497 4.423 0 1 EIAF COc1cccc2c(Nc3ccccc3C)nc(N3CCCC3)nc12 13742278 YIVCMZPBEDBODU-UHFFFAOYSA-N 334.423 4.291 0 1 EIAF c1ccc(CN2CC[C@@]3(C2)Oc2ccccc2[C@@H]3n2cccc2)cc1 29314218 OKRJBGPCTCAZPM-VXKWHMMOSA-N 330.431 4.115 0 1 EIAF O=C(O)c1c(O)c(Cc2ccsc2)nc2c3c(ccc12)CCCC3 34503675 JBBQKZAGTDLPAR-UHFFFAOYSA-N 339.416 4.170 0 1 EIAF COCc1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 34602436 LRYNMPXTHXKRSL-IBGZPJMESA-N 336.435 4.403 0 1 EIAF Cc1cc(OC(=O)c2c(F)ccc(C)c2F)n(Cc2ccccc2)n1 45254527 JQJUJBNHZUMZAL-UHFFFAOYSA-N 342.345 4.046 0 1 EIAF O=C(O)c1ccccc1Nc1nccc(Nc2ccccc2Cl)n1 87613220 PTPAZHBJYWLPAU-UHFFFAOYSA-N 340.770 4.315 0 1 EIAF Cc1ccccc1[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)CC1 100085694 ISKQMAXCHQFYHK-BGYRXZFFSA-N 335.495 4.238 0 1 EIAF C[C@H]1CCCC[C@@H]1OC[C@@H](O)Cn1c2c(c3c1CCCC3)CCCC2 195407814 PKBWVJIIQVNWAZ-HOIFWPIMSA-N 345.527 4.202 0 1 EIAF C#CC1(C(=O)Nc2cccc(-c3cnc4[nH]cc(Cl)c4c3)c2)CC1 221058170 PEFJQPANTWYASD-UHFFFAOYSA-N 335.794 4.235 0 1 EIAF O=C1O/C(=C\c2nc3cccc(C(F)(F)F)c3[nH]2)c2ccccc21 586906736 PGFHGQIQGMPBAV-JYRVWZFOSA-N 330.265 4.250 0 1 EIAF Oc1nc2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc2[nH]1 587074020 OYVQDZQCHBPKEF-UHFFFAOYSA-N 338.798 4.073 0 1 EIAF COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1C 587120450 JKXROHCBTHISRU-UHFFFAOYSA-N 346.312 4.442 0 1 EIAF COc1cncc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150860 UBRROFRNHBYVNH-GOSISDBHSA-N 348.381 4.307 0 1 EIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587151881 WJIKZYLTTIVOBT-SSDOTTSWSA-N 343.255 4.395 0 1 EIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 587242258 QNYWTHFULURLQR-UHFFFAOYSA-N 328.803 4.263 0 1 EIAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587358473 YPBADEXPVXPKMX-XLIONFOSSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCCF)cc1)O2 587382285 LMNUIOKLLKEDHC-FQEVSTJZSA-N 343.398 4.196 0 1 EIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1 1772607885 PXIHURMDUYTFBN-DHZHZOJOSA-N 349.361 4.017 0 1 EIAF CC=CC[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356615849 LTSBAPIBOQOBOR-LIRRHRJNSA-N 342.391 4.151 0 1 EIAF CCCC[C@@H]1C(=O)CC[C@@H]2[C@H](CC=CCCCC(=O)O)C(=O)C[C@@H]12 2356668817 CGCZPIJMGKLVTQ-LTIDMASMSA-N 334.456 4.178 0 1 EIAF CC[C@@H]1C(=O)C[C@H]2CCN(Cc3ccc(OC)cc3)[C@H]3CCC[C@@H]1[C@@H]32 211060120 GIBPJVQZAIYESD-GCPWLZLNSA-N 341.495 4.301 0 3 EIAF COc1ccc2cc3cc(C(=O)Nc4cccnc4)sc3nc2c1 428347 WYBISTQCRPSGAY-UHFFFAOYSA-N 335.388 4.105 0 1 EIAF COc1ccccc1C[C@@](C)(Oc1ccc(C(C)C)cc1)C(=O)O 13604815 YWFAOACTTUHGFX-HXUWFJFHSA-N 328.408 4.283 0 1 EIAF COc1ccc(C(=O)c2ccccc2)c(O)c1NCc1ccccc1 26742426 BHPBVWCEAQVCTJ-UHFFFAOYSA-N 333.387 4.244 0 1 EIAF COc1ccc([C@@H](C)CNC(=O)Nc2cccc3cnccc23)cc1 28958742 XFTNEUARLLIGMJ-AWEZNQCLSA-N 335.407 4.169 0 1 EIAF CCCCC[C@@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C/CCCC(=O)O 33822367 NNPWRKSGORGTIM-BLATTWQPSA-N 336.472 4.158 0 1 EIAF CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccc(O)cc12 40834033 NXWYVIXKYGBRNR-UHFFFAOYSA-N 329.783 4.294 0 1 EIAF CNc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 72170614 FGKMRSSJZNQVJK-UHFFFAOYSA-N 330.181 4.468 0 1 EIAF Cc1nnc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)o1 73141048 MRBHGLHVXIPHQR-QGZVFWFLSA-N 338.798 4.387 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(F)cccc3CC[C@H]21 100620815 IFAMBMVGFAAIHL-YLJYHZDGSA-N 348.421 4.419 0 1 EIAF Cc1ccc2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 169334045 AEUYRDUBSFOYNV-WBMJQRKESA-N 338.373 4.128 0 1 EIAF Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586890617 LDISOKFBFIWLHO-ZDUSSCGKSA-N 342.704 4.022 0 1 EIAF Oc1ccc(C2(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)cc1 586896587 UTOZIZYXDUFEPK-UHFFFAOYSA-N 334.297 4.247 0 1 EIAF CCCC(Br)(CCC)c1nc2ccc(CCO)cc2[nH]1 586970874 LHJCCXSPRIWQIT-UHFFFAOYSA-N 339.277 4.288 0 1 EIAF O=C1c2ccccc2-c2cc(CC3CCOCC3)nc3ccc(O)c1c23 586992336 VJNPHJWGUKICGO-UHFFFAOYSA-N 345.398 4.121 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=N)N)cc2[nH]1 587061415 GLRCVMRSGFKRJG-CQSZACIVSA-N 328.803 4.030 0 1 EIAF Cn1nnc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C(F)F 587129637 YVQKEXCWXOIGJF-UHFFFAOYSA-N 341.321 4.088 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4ccnc(O)c4[nH]3)c2)c1 587160405 QVGOFDAHMJHBPZ-UHFFFAOYSA-N 335.338 4.145 0 1 EIAF Cc1nsc(N)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208346 QMEXIEDFPXUUNW-UHFFFAOYSA-N 343.411 4.460 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)c(C)c1)O2 587397274 ZDJPWNBHKNGHIU-HXUWFJFHSA-N 336.435 4.192 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O 587446671 CZVCCMSAWDUHIQ-LZFQIVBZSA-N 334.415 4.224 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)cc1O)CC2=O 587464872 CAEAVJQQGZIGSR-KRWDZBQOSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CSCc3ccccc31)CC2=O 587498150 FSKUQNQTUUNSGK-HXUWFJFHSA-N 340.444 4.452 0 1 EIAF C[C@@]1(c2cc(O)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509314 YXUDSRIAEIBKNR-FQEVSTJZSA-N 326.367 4.291 0 1 EIAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)(C)C)n1 587517010 ZCMHATZVIKTFCI-GOSISDBHSA-N 338.451 4.303 0 1 EIAF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 587639191 XJSRUMQTMYAWQG-UHFFFAOYSA-N 342.782 4.389 0 1 EIAF c1ccc(N2N=C(c3ccc4c(c3)OCCO4)C[C@@H]2c2ccco2)cc1 653912924 YGRWKZAKOKYXRJ-GOSISDBHSA-N 346.386 4.407 0 1 EIAF CC(C)n1nccc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962692320 AYZWTJWPQVTQNT-LIRRHRJNSA-N 345.487 4.056 0 1 EIAF Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(C(N)=O)c1 1772644434 RJJBBCUWLSCBBS-UHFFFAOYSA-N 330.387 4.013 0 1 EIAF CCCCn1cc(-c2cc[nH]c(=N)n2)c2cc(Br)ccc21 1857536493 UOARLQDNFPVDME-UHFFFAOYSA-N 345.244 4.073 0 1 EIAF C[C@@]12CC3C[C@@]1(C)CC3(CNC(=O)Nc1ccc(F)c(F)c1F)C2 1857554508 ALBGJFOYVAXDGV-HWAIBBSNSA-N 338.373 4.442 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@@]2(C)[C@@H]1C 2356340832 ZDOYGSHCBQYFAX-AOJZQBIQSA-N 332.440 4.108 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@@H]1[C@@]23C 2356383525 PFLSRYIOOFGEGE-SVEVEQSESA-N 330.424 4.126 0 1 EIAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356863998 UTZOQTBZXWPTNC-MDKGJDARSA-N 330.560 4.287 0 1 EIAF O=C(CCC1CCN(C(=O)[C@H]2CC=CCC2)CC1)Nc1ccccc1 11879339 FNXXEGGKFJVSRX-SFHVURJKSA-N 340.467 4.000 0 3 EIAF c1ccc(Cc2ccc(OCCn3cnc4cnccc43)cc2)cc1 13488418 HRSCJJRUTINXNA-UHFFFAOYSA-N 329.403 4.101 0 1 EIAF CN(C(=O)c1cccc2ccccc12)[C@H]1CCCC[C@H]1N1CCCC1 26832884 BRVCKDDOBWKXRT-LEWJYISDSA-N 336.479 4.319 0 1 EIAF CCOC(=O)C1CCN(Cc2cc(C(C)C)c(N)c(C(C)C)c2)CC1 28013540 XCXBEPOAEKIMBG-UHFFFAOYSA-N 346.515 4.291 0 1 EIAF CCC(CC)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 28334222 RLUJCFACZRZLJZ-UHFFFAOYSA-N 338.498 4.110 0 1 EIAF CN(C)CC[C@]1(O)c2ccccc2CCc2ccc3ccccc3c21 36151760 IUXDSDVOBHKNSE-QHCPKHFHSA-N 331.459 4.126 0 1 EIAF in-vivo Clc1cc(NCc2ccc(Cl)c(Cl)c2)n2nccc2n1 40835328 NVCUBDIIXWNFOU-UHFFFAOYSA-N 327.602 4.302 0 1 EIAF FC(F)(F)c1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1 45389052 LFTAALDDTRVMLJ-UHFFFAOYSA-N 333.269 4.121 0 1 EIAF COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1 49110002 YYRVJJWBIQUZNR-CYBMUJFWSA-N 328.481 4.217 0 1 EIAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1cccc(-c3cccs3)c1)O2 101501399 CCRLYNSHUUHLKL-OVWQWFNUSA-N 328.433 4.239 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](Cl)(c1ccccc1)C(=O)N2 219549257 JXOVITKVSBVDGV-LJQANCHMSA-N 338.794 4.393 0 1 EIAF N#Cc1ccc(-c2nnc(-c3[nH]ncc3-c3ccc(Cl)cc3)o2)cc1 220767688 QGAMVYNDNQDMJF-UHFFFAOYSA-N 347.765 4.319 0 1 EIAF CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCS4)CC1 253637792 LGWIMMOJBXEMBA-DRQUAOQDSA-N 327.449 4.271 0 1 EIAF Oc1ccccc1C1(c2nc3ccc(F)c(Br)c3[nH]2)CC1 586897239 WGLGQEUWOZDPAW-UHFFFAOYSA-N 347.187 4.250 0 1 EIAF COC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586970885 LLZISQOVFDZJHP-UHFFFAOYSA-N 340.448 4.134 0 1 EIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 587068721 BYLYJQDKGHGDMR-CYBMUJFWSA-N 336.826 4.050 0 1 EIAF O=C(O)c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073942 NXMBVZYLOZDPBE-UHFFFAOYSA-N 326.783 4.189 0 1 EIAF Clc1ncc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc-2[nH]1 587084004 QTXBQFKUAQSORB-UHFFFAOYSA-N 342.189 4.340 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(CCc1c[nH]c4ccccc14)[C@@H](C2)C3=O 587437773 JWWDUMDZDYKBKI-HTAPYJJXSA-N 347.414 4.315 0 1 EIAF COc1cc2c3c(c1)O[C@H](CCCCOc1ccccc1)[C@@H](C2)C3=O 587442993 SHONHDUMFFPETK-QZTJIDSGSA-N 338.403 4.061 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1coc(C(C)C)n1)CC2=O 587488346 IYLCIESHMUNNAL-IBGZPJMESA-N 329.396 4.337 0 1 EIAF Cn1ncc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587517837 WATXTHYKJVUOID-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF C/C=C/CC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527620 YEZZVRFVXKSDIZ-SHTLVRLNSA-N 342.435 4.189 0 1 EIAF Cc1cc(C(=O)O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529169 KAVVJRADRUVWKQ-LJQANCHMSA-N 336.387 4.279 0 1 EIAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588179 JYLRGMWSCJOSTK-DYESRHJHSA-N 349.386 4.214 0 1 EIAF CCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587759257 ZTWGOYLWUKZONI-HWPZZCPQSA-N 337.236 4.033 0 1 EIAF CN1C(=O)C[C@H]2CN[C@H](c3ccccc3-c3ccco3)c3cccc1c32 963017580 CYAFQBDURCOGEP-RCDICMHDSA-N 344.414 4.089 0 1 EIAF NC(=O)c1cc(-c2ccccc2)cc2c(C3CCC(=O)CC3)c[nH]c12 1857550093 GTIRUSZRSWMLGM-UHFFFAOYSA-N 332.403 4.161 0 1 EIAF C[C@H]1CCC(=O)N([C@H](COc2ccccc2)Cc2ccccc2)CC1 15937155 PHVHKJIQGLBSMI-ICSRJNTNSA-N 337.463 4.325 0 3 EIAF COc1cc(OC)c(Nc2ncnc3sc(C)cc23)cc1Cl 756920 GMIYQOMBFKOOGC-UHFFFAOYSA-N 335.816 4.414 0 1 EIAF Cn1c(-c2ccccc2)c(/C=C/c2cccs2)[n+]2c1SCC2 13602549 NIAPCVHIBBVRBV-MDZDMXLPSA-N 325.482 4.317 0 1 EIAF O[C@@]12CC[C@]3(O[C@@H]4CCCCO4)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 17220214 GTAUFWQVNOOSHQ-KCSJKLDESA-N 348.442 4.301 0 1 EIAF CCC[C@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCCC1)C(=O)O 28640163 KPRMIIXESGBWDG-KURKYZTESA-N 343.467 4.110 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801316 WGPZAVZHAGYUOL-LDMQOBABSA-N 331.500 4.055 0 1 EIAF CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C(CC)CC 35091028 VACGJMCPWAYHMI-UHFFFAOYSA-N 327.476 4.279 0 1 EIAF COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2 63298068 VKWVIEBXAPQKKA-UHFFFAOYSA-N 332.363 4.143 0 1 EIAF C[C@H]1C=CCCO[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 72138053 OMRBJTSGXXMHGP-BTYIYWSLSA-N 337.394 4.180 0 1 EIAF COc1ccccc1Oc1cncc(NCCc2ccc(F)cc2)n1 82068503 XCFJGIFAAICRSQ-UHFFFAOYSA-N 339.370 4.071 0 1 EIAF Cc1ccc(C(=O)C[C@H]2C(C#N)=C(N)Oc3ccc(Cl)cc32)cc1 138806225 WWEUXUIPZXOIMZ-CQSZACIVSA-N 338.794 4.091 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586885930 DNESZFHBHBAEPZ-YMTOWFKASA-N 336.222 4.410 0 1 EIAF CCc1ccc(-c2nc(-c3nc4c(Cl)ncnc4[nH]3)cs2)cc1 587015367 NJFOQHSIJBWCEI-UHFFFAOYSA-N 341.827 4.359 0 1 EIAF Cc1nc(COc2cccc(-c3nc4c(C)nccc4[nH]3)c2)cs1 587020424 RSIRNCKZFIXYSI-UHFFFAOYSA-N 336.420 4.277 0 1 EIAF Cn1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C(F)(F)F)c1 587113212 UCRKJDGOSFMYSL-UHFFFAOYSA-N 334.223 4.001 0 1 EIAF Cc1nc2[nH]c(-c3cc(F)c(C)c(F)c3)nc2cc1Br 587132705 JYKAGMKWJHELEL-UHFFFAOYSA-N 338.155 4.282 0 1 EIAF Fc1ccccc1CCc1nc2ccc(F)c(Br)c2[nH]1 587150974 VSFPSVXQDVSJPS-UHFFFAOYSA-N 337.167 4.389 0 1 EIAF Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1C 587168401 JGHHWPKFGHCPCT-UHFFFAOYSA-N 347.397 4.444 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1C(C)C)O2 587389744 JGGNBXBLCBGFFV-GOSISDBHSA-N 335.407 4.214 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)s1)O2 587409240 HIEMGTLTQXWCTM-LLVKDONJSA-N 338.226 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc(OC)ccc1Cl)CC2=O 587461670 LPMSBWKNRNHLGQ-HNNXBMFYSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C=O)cs1)CC2=O 587492769 CPBYQTMWDXXSLN-SFHVURJKSA-N 330.405 4.099 0 1 EIAF Cc1ccc2nc(C)cc(-n3ncc4ccc(Cl)cc4c3=O)c2c1 587652443 DUEPVTDQRDDGJC-UHFFFAOYSA-N 335.794 4.204 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(F)(F)F)N1 587709197 JFKQBNGZIVKTTM-RCOVLWMOSA-N 326.131 4.116 0 1 EIAF COc1cc2c(cc1OC)[C@@]1(CCCc3sccc31)N(C)[C@@H](C)C2 962632061 OMANKJNVCAWULQ-RBZFPXEDSA-N 343.492 4.222 0 1 EIAF O=C(O)[C@H]1CCCCC[C@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963103587 FXWYYFAVHNSETJ-APPDUMDISA-N 342.266 4.389 0 1 EIAF CCn1c(O)nc2ccc(OCc3cccc(C(F)(F)F)c3)cc21 1857600403 NXMNAPIMTCLKJF-UHFFFAOYSA-N 336.313 4.360 0 1 EIAF Cc1cc(C)n2c(Nc3ccccc3C)c(-c3ccccn3)nc2n1 4903190 VWFSGVIZPSUVJH-UHFFFAOYSA-N 329.407 4.460 0 1 EIAF Fc1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580905 UEWGJZTVOIUVGM-UHFFFAOYSA-N 341.390 4.195 0 1 EIAF O=C(O)CCCCCCCC[C@H](O)CCCCCCCC(=O)O 14494613 XSKPTXLSWNXFMY-INIZCTEOSA-N 330.465 4.368 0 1 EIAF biogenic CCc1c(C(=O)O)ccc2c1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 14927649 VZKBBWPWZMINDQ-VDGAXYAQSA-N 330.424 4.042 0 1 EIAF biogenic CC(C)=CCC/C(=C\COc1cc(=O)oc2cccc(C)c12)CO 15120619 HUMPYOCQOJFKOK-MHWRWJLKSA-N 328.408 4.145 0 1 EIAF CC(=O)Nc1ccc2c(c1)[C@@]1(C)CCN(Cc3ccccc3)[C@@H](C2)[C@@H]1C 26751611 FTFOZMMDMFOELO-GMWOSMDTSA-N 348.490 4.369 0 1 EIAF COc1ccc(-c2ccc(C(N)=O)cc2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2 27848989 NNHAPWOEXKWSIB-FMEYXAORSA-N 337.419 4.029 0 1 EIAF c1ccc(-n2nc(-c3cccc4ccccc34)n[n+]2-c2ccccc2)cc1 29131122 OEIYPYLRCFFXQV-UHFFFAOYSA-N 349.417 4.364 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801409 YUEVEZWXYBGVTF-YOHYQUQHSA-N 345.527 4.301 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)S1 38607770 CLEUCPOFSQRVKY-VBKFSLOCSA-N 331.437 4.360 0 1 EIAF CC(=O)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O 104686283 QFGLDTCNUZKXQJ-UHFFFAOYSA-N 335.388 4.057 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1N2C 167901623 LFJPCUHETVUFNZ-MTNOOBJLSA-N 341.476 4.154 0 1 EIAF CCC(=O)[C@@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@@H]2CC[C@@H]1N2C 169307432 NBXHPPSAAQZXHP-ZJDLJICXSA-N 337.463 4.394 0 1 EIAF CC1(COc2ccc(Cc3sc(=O)[nH]c3O)cc2)CCCCC1 169714673 YNQLJZYIOAPXMU-UHFFFAOYSA-N 333.453 4.082 0 1 EIAF c1ccc(C[C@H]2N[C@@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 587040220 GMADFWARHKZNDI-MSOLQXFVSA-N 346.459 4.057 0 1 EIAF CSc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587043394 ZHYORWFUCVRJDD-DLBZAZTESA-N 341.505 4.231 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 587068878 FDBAWBUTPGRFSB-QMMMGPOBSA-N 335.194 4.036 0 1 EIAF CC(C)Oc1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587069344 JEXMEXANGJZURZ-AWEZNQCLSA-N 343.858 4.289 0 1 EIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 587069827 LHZCRRHDVDDINO-CYBMUJFWSA-N 336.826 4.050 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 587080560 QLEREUUDMQKCSG-SSDOTTSWSA-N 343.740 4.465 0 1 EIAF Oc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137765 KGDBIWPASMVJTA-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(O)cc2[nH]1 587162205 FJIZQVRPRSRMGQ-UHFFFAOYSA-N 332.334 4.306 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1NC)CC2=O 587460450 IPDCVRIACAOTPK-MRXNPFEDSA-N 346.814 4.141 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)c(OC)c1)CC2=O 587465118 ATSXWYDPKRBTMM-INIZCTEOSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(C=C(N(C)C)CC(C)(C)C1)CC2=O 587467660 GAUUMCRCYCABBF-OAQYLSRUSA-N 343.467 4.314 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccncc1CC)CC2=O 587491468 SMWAAQOAISVHOW-FQEVSTJZSA-N 325.408 4.183 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3nsnc3c1)CC2=O 587493381 FLNFQOKQWSJPMW-QGZVFWFLSA-N 340.404 4.056 0 1 EIAF O=C1C[C@H](c2ccccc2-n2cccn2)Oc2c1ccc1c2CCCC1 587517247 JZNXWDLBOZEFQB-OAQYLSRUSA-N 344.414 4.458 0 1 EIAF Cn1ncc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c21 587517486 OBYMGOALAXNFRO-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2ccc(F)c(Cl)c12 587629348 LHCOOHMBCNHFNG-UHFFFAOYSA-N 337.709 4.099 0 1 EIAF C[C@@H]1[C@@H](NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)CCC[C@H]1C 587875377 DLQSKHQITITYDD-SUNKGSAMSA-N 345.443 4.342 0 1 EIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587931221 RJKDFVGJAQIICA-PXAZEXFGSA-N 347.340 4.431 0 1 EIAF CCCc1ccc2oc(C(=O)[C@@H]3CCC(=O)NC[C@H]3C)c(C)c2c1 621485675 FGHRKUGZMFDZHV-IUODEOHRSA-N 327.424 4.039 0 1 EIAF O=C1NCCCc2c1c1ccccc1n2CCc1cccc(Cl)c1 1772578958 KJZDDMXCCUUGJW-UHFFFAOYSA-N 338.838 4.213 0 1 EIAF CC(=O)N(C(C)=O)c1cc(/C=C/c2ccccc2)nc2ccccc12 1857546622 BLPAZNMNDRHVSE-OUKQBFOZSA-N 330.387 4.305 0 1 EIAF CC=CCC[C@@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 2356800731 RDVSMDUHDAFGOJ-KXBFYZLASA-N 346.423 4.189 0 1 EIAF COc1cc([C@@H](O)c2nc(-c3cccc(F)c3)cs2)ccc1F 61905688 FCSWHIUAUONORV-MRXNPFEDSA-N 333.359 4.179 0 3 EIAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)c1csc2c1CC[C@@H](C)C2 5070269 SSDAVWGNVXMOGB-OAGGEKHMSA-N 348.556 4.256 0 1 EIAF CC(C)CC(=O)Nc1c(C(=O)N2CCCCCC2)oc2ccccc12 9251307 BMHCJIZEHDTGEF-UHFFFAOYSA-N 342.439 4.434 0 1 EIAF C[S@@](=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 27415171 QAVMJCZGFFCCRL-QHCPKHFHSA-N 342.386 4.128 0 1 EIAF O=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1 28221919 MYSHIWFTLJUGST-UHFFFAOYSA-N 337.375 4.057 0 1 EIAF O=C(Oc1cc(F)c(F)cc1F)c1cc2c(cn1)[nH]c1ccccc12 64512481 RFYCGFKOGLYZKJ-UHFFFAOYSA-N 342.276 4.353 0 1 EIAF COc1cc(OC)c(OC)cc1CCC(=O)c1ccc(Cl)cc1 64548896 HSFBMVOBGKLCOV-UHFFFAOYSA-N 334.799 4.181 0 1 EIAF COC(=O)c1cc(N(C)c2ccc(OC)cc2)cc(C(F)(F)F)c1 96910974 FTMZJCYHPDAWMW-UHFFFAOYSA-N 339.313 4.269 0 1 EIAF CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2C)cc1 103188212 MKCJBYPQHWDPGC-WOJGMQOQSA-N 338.794 4.349 0 1 EIAF CCCCNc1ncc(-c2ccccn2)c(NC2CCCCC2)n1 103242258 CURNCKHFJSIYBK-UHFFFAOYSA-N 325.460 4.495 0 1 EIAF O=C(NCc1ccccc1Cl)Nc1nc(-c2ccncc2)cs1 165763921 CDTKUIUXLBVZEB-UHFFFAOYSA-N 344.827 4.180 0 1 EIAF C[C@@H]1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238769029 IZTMVRICKHTCER-KCCXKHQOSA-N 334.456 4.026 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586879278 KRLQGOFXHOZDKT-AATRIKPKSA-N 334.709 4.259 0 1 EIAF Brc1cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586886189 ONQVCVMMUJNCKB-DYVFJYSZSA-N 340.224 4.092 0 1 EIAF COc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1OC 587023912 RZADPBRYGLRUHJ-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 587113522 MLCLOGKVBUTARF-MRVPVSSYSA-N 340.736 4.371 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3[nH]cc(Cl)c13)O2 587378626 CYBXNNISNQBRQH-MRXNPFEDSA-N 326.783 4.418 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(N)c1)O2 587388616 FGOUVLYFPLMORL-QFIPXVFZSA-N 344.414 4.068 0 1 EIAF CC[C@@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439705 MMRKHLHMMARRFB-YDZGXFTCSA-N 338.403 4.361 0 1 EIAF COC(=O)Cc1[nH]c2cc(F)ccc2c1-c1cc(F)c(F)cc1F 587634092 RVIJDFWILMHRBJ-UHFFFAOYSA-N 337.272 4.107 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccsc2)N1 587853017 KHIZHSXSHPRWCG-VFZGTOFNSA-N 340.261 4.447 0 1 EIAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)ncc1Br 587871870 FPBVUMUGBXHVBA-UHFFFAOYSA-N 346.159 4.250 0 1 EIAF CCCC[C@@H](N)CCCCCC[C@@H](C=CC(=O)O)Nc1ccc[nH]1 2356747215 YCPNWQCUZMMNHP-SJORKVTESA-N 335.492 4.294 0 1 EIAF COCc1cccc(-c2csc([C@H](N)c3ccc(F)c(F)c3)n2)c1 61898051 XSKCSDVZTFZBOP-QGZVFWFLSA-N 346.402 4.283 0 3 EIAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)c1ccc(F)cc1 96018885 VDQWABVKPMJFMN-UBXANZILSA-N 337.394 4.262 0 3 EIAF CCCCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 13606921 OOZQERIPPMVBFT-FMIVXFBMSA-N 337.419 4.452 0 1 EIAF CC[C@H](C)C[C@@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC 14824897 RNCWKUCWPBNWOH-GUBKNVGQSA-N 333.516 4.292 0 1 EIAF COC(=O)/C(C)=C/CC[C@]1(C)[C@@H]2CC[C@H](C(=O)O)[C@@]23CC=C(C)[C@@H]1C3 38287740 NJJHWXTWQAGIRM-KGPSOSNESA-N 346.467 4.359 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(/C=C/C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 38482990 WGTDGTMNFZYZOH-INVTVPOESA-N 326.436 4.001 0 1 EIAF NC(=O)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 72107881 QHVMAWWXTNGBRZ-UHFFFAOYSA-N 337.766 4.477 0 1 EIAF CC(C)C[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 142167688 KYFXTTZDXSYKRG-GDBMZVCRSA-N 340.427 4.021 0 1 EIAF Cc1cc(Cl)nc2ccc(N3CCN(c4cccnc4)C3=O)cc12 148760018 WFWLLNUQWVEZOY-UHFFFAOYSA-N 338.798 4.038 0 1 EIAF CC[C@H](C)Cc1ccnc2c(N[C@@H](C)CCCN)cc(OC)cc12 169329211 DYMOIGOWICYZTC-GJZGRUSLSA-N 329.488 4.371 0 1 EIAF CC[C@H](C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1 169728230 RRXQHNBIUGLMGG-HNNXBMFYSA-N 336.391 4.021 0 1 EIAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)[C@@H]1[C@H](O2)C1(C)C 238768442 NGRRXMZEVSBATO-VIZZQPHQSA-N 336.387 4.286 0 1 EIAF O=C(O)c1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1F 586897380 CYQQIUFLZCDFEN-UHFFFAOYSA-N 348.333 4.440 0 1 EIAF O=C(O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898757 NKMFQEHIHQUHFH-UHFFFAOYSA-N 330.343 4.301 0 1 EIAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587089170 YXXOFLMXURMLQO-SECBINFHSA-N 331.288 4.331 0 1 EIAF Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1C 587125651 SIFCIESUUWSZFE-NOZJJQNGSA-N 349.360 4.351 0 1 EIAF COc1c(F)cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1F 587134555 JGARFQUPVMAKDH-UHFFFAOYSA-N 325.318 4.373 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587160899 ICHOQTVWURZMQO-OLZOCXBDSA-N 344.773 4.413 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)c1 587233058 IKDSCULTUKLUPT-UHFFFAOYSA-N 343.430 4.473 0 1 EIAF CC[C@@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401108 QCCXUOVZRVTJEU-BFUOFWGJSA-N 325.408 4.461 0 1 EIAF CCO[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 587403794 RBSNDZSLMMMNJY-FXAWDEMLSA-N 329.440 4.041 0 1 EIAF CCCCC(Cl)(Cl)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419004 VWBRAHDYYXDSGU-IAQYHMDHSA-N 329.223 4.175 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(Cl)ccc14)[C@@H](C2)C3=O 587424381 ZCYJEHOEINFIQW-ORAYPTAESA-N 339.778 4.319 0 1 EIAF CC[C@@]1(c2ccc(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425540 DRYCTHMCTKMOQH-KUHUBIRLSA-N 330.330 4.026 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Cl)c1F)[C@@H](C2)C3=O 587426118 LJNIODMMZOYAMG-SGTLLEGYSA-N 332.758 4.151 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)noc1-c1ccccc1)[C@@H](C2)C3=O 587435891 JYQKWMSCCSZTMG-YCRPNKLZSA-N 347.370 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(C(=O)c1ccc(F)cc1)CC2=O 587467814 SLNPTSOMMWWIQJ-HXUWFJFHSA-N 342.366 4.091 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(F)cc1Cl)CC2=O 587470711 GZNUJUAKDYTBQE-SFHVURJKSA-N 349.789 4.413 0 1 EIAF CCn1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516940 XVCUYUKCPOXYBP-NRFANRHFSA-N 338.451 4.279 0 1 EIAF O=C1C[C@@H](c2[nH]nnc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587527728 WEUVYWZYFHQGOD-SFHVURJKSA-N 345.402 4.057 0 1 EIAF O=c1c2cc(Cl)ccc2cnn1-c1nc2c(Cl)cccc2s1 587654301 RNCYFIJNSYWNGG-UHFFFAOYSA-N 348.214 4.302 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCSC2)N1 587854034 BBNRFYDOYACBEZ-BPYAMOTFSA-N 344.293 4.307 0 1 EIAF COc1cc(C2(c3nc4c(F)cnc(Cl)c4[nH]3)CC2)ccc1C 587926396 GUFUJQFFYTWBCM-UHFFFAOYSA-N 331.778 4.147 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c[nH]c2cccc(F)c12 963061803 YCAVYTCRYKUWJP-NRFANRHFSA-N 347.393 4.099 0 1 EIAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)C1CCCCC1 1772590972 BCQNQQCMVBIGOL-KRWDZBQOSA-N 332.831 4.401 0 1 EIAF Cc1cc(-c2cccc3ccccc23)oc1C(=O)N1CCC(CO)CC1 1772622512 FONLLWLFEWLWOJ-UHFFFAOYSA-N 349.430 4.253 0 1 EIAF O=C(NCCc1ccccc1Cl)c1ccc(-c2ccccc2)cn1 1857586737 VVRWBRLKHNEVFH-UHFFFAOYSA-N 336.822 4.375 0 1 EIAF COc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@H]21)OC(C)(C)C=C4 2356515957 GYCYIUKEDMRHDH-OXJNMPFZSA-N 336.387 4.489 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@@H](C)[C@]21C 2356582349 GBHOTPKNLQPMRP-UHWHQUHESA-N 330.424 4.028 0 1 EIAF C[C@@H]1OC(=O)C2=C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@@H](C)N3C)[C@@H]21 2356647115 BQYBRRZKGRWUCZ-IALLDWONSA-N 343.511 4.340 0 1 EIAF O=C1CCC[C@H]2C[C@H](NCc3ccc(Cl)cc3)CC[C@]23CCCN13 205705776 GRETVUXYGBVSMO-ILZDJORESA-N 346.902 4.143 0 3 EIAF O=C(c1cccc(Cc2ccccc2)c1)c1oc2cccnc2c1O 5934294 BVIXQISADMBONX-UHFFFAOYSA-N 329.355 4.355 0 1 EIAF Cc1ccnc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)c1 13673116 UIVMXBLBXGEONG-XEWIAXNMSA-N 325.452 4.407 0 1 EIAF CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3[C@H]1C2 13741140 JNYHIUUHNNPPEZ-YADHBBJMSA-N 330.431 4.201 0 1 EIAF CC[C@]1(C(=O)N[C@H](C)CCc2ccccc2)[C@H](C)C1(Cl)Cl 29392296 GRWWSKXCVNWJJF-DVOMOZLQSA-N 328.283 4.344 0 1 EIAF CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]2CC[C@@H]2[C@@H]1CC[C@@]21CCCO1 34801222 ZTSSPWOMQLQKPF-PRRWYNNDSA-N 329.484 4.134 0 1 EIAF COc1cc2cc(c1O)-c1cc(ccc1O)CCC(=O)CCCC2 40949319 KNELQMDBXBOTFN-UHFFFAOYSA-N 326.392 4.002 0 1 EIAF biogenic COc1ccc(OC)c(/C=C/c2nnc(Nc3ccc(C)cc3)o2)c1 103193607 OUUKOHXDGCSAMV-IZZDOVSWSA-N 337.379 4.309 0 1 EIAF CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)[S@](C)=O 144354188 SRFGUIZCVKITPM-YGKZAACZSA-N 348.549 4.270 0 1 EIAF CCOC(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586887479 IPZAOQMUZATTBO-IIBYNOLFSA-N 332.403 4.111 0 1 EIAF Clc1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1Cl 587015791 BEYSHOBQKHSESF-QMMMGPOBSA-N 341.223 4.240 0 1 EIAF c1ccn(-c2sc3c(c2-c2nc4cc5c(cc4[nH]2)OCO5)CCC3)c1 587033103 SQBMFTFUJQARTF-UHFFFAOYSA-N 349.415 4.300 0 1 EIAF COC(=O)c1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cn1 587153562 USLKUYKFXGQFPH-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587210520 DBUXFLPHODOHPG-LBPRGKRZSA-N 326.440 4.482 0 1 EIAF Nc1ccc2oc(-c3nc4ccc(Br)cc4[nH]3)cc2c1 587251564 JIAUYITXRTYVNE-UHFFFAOYSA-N 328.169 4.321 0 1 EIAF Cn1nc(C(F)(F)F)cc1C(=O)c1coc2ccc(Cl)cc12 587277759 AMBKCQDHIYLTLC-UHFFFAOYSA-N 328.677 4.070 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1C(F)(F)F)O2 587381141 GRSZDYNIGBNLQA-AWEZNQCLSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nccs3)cc1)O2 587412570 JGAJHUXFFAMGTG-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccco3)s1)O2 587413873 QOHIVRASPIBNDE-CQSZACIVSA-N 326.377 4.000 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(O)ccc4ccccc14)[C@@H](C2)C3=O 587453064 XBQOZBXGAXPVAT-BTYIYWSLSA-N 332.355 4.043 0 1 EIAF COc1cccc2c1C[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523487 JCLGCINHMCWOPW-QHCPKHFHSA-N 348.442 4.467 0 1 EIAF COc1cccc2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527183 VQMUDGWCIDPWNE-QFIPXVFZSA-N 334.415 4.381 0 1 EIAF Cc1cc(C)cc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587564997 SHLZTQWTJBPZIZ-UHFFFAOYSA-N 336.370 4.084 0 1 EIAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586479 ILJLDMHVFIBASQ-GHTZIAJQSA-N 347.370 4.053 0 1 EIAF COc1ccc2c(c1OC)[C@](C)(c1ccc(C)cc1)N(C)[C@H](C)C2 962633249 SXMKLOLMNXKLEA-VFNWGFHPSA-N 325.452 4.152 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@]32CCc3cccnc3C2)cc1 962671709 UNRMPKSHAKPWEL-QHCPKHFHSA-N 326.443 4.279 0 1 EIAF COc1cc([C@@H]2[C@@H](C)[C@@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O 2356417094 QDBUCXMBHJMGCN-YLYZPZNOSA-N 328.408 4.268 0 1 EIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C=C(CO)[C@@H](CC[C@@H]32)C4)C1(C)C 2356533357 AWZPBJFLHAFGDK-BCOVRFNISA-N 346.511 4.489 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@H]2C1 2356558327 UVGNAGKHBDTENQ-XGNBGGDFSA-N 330.424 4.257 0 1 EIAF CC(C)=CCCC(C)=CCC[C@@]12CO[C@@H](c3cc(O)ccc3O1)[C@@H]2O 2356868461 XBXXQDQGWHKRIM-ACRUOGEOSA-N 344.451 4.429 0 1 EIAF Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1 3832389 CZKWSFFVLCDVHL-UHFFFAOYSA-N 347.809 4.408 0 1 EIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N(C)C 4294942 YIKNYTSAYCYFLJ-MOPGFXCFSA-N 346.471 4.187 0 1 EIAF CCCCOc1c(C(=O)c2c(C)cc(C)cc2C)cnc2[nH]ncc12 13535804 LNVFSERINVAFNO-UHFFFAOYSA-N 337.423 4.293 0 1 EIAF CN(C)[C@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26641938 TYVURQJNWGIBHS-QFIPXVFZSA-N 336.479 4.183 0 1 EIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1NCc1ccncc1 28957062 GJNHEQOPSNWTAY-ZWKOTPCHSA-N 343.858 4.022 0 1 EIAF O=C(NCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN1 49071762 NIJDBDOHWSEGPP-KRWDZBQOSA-N 349.261 4.029 0 1 EIAF Cc1ccc2[nH]c([C@@H]3CCN(Cc4cn(C)c5ccccc45)C3)nc2c1 51076674 IOJBLSCRJBHMJT-MRXNPFEDSA-N 344.462 4.353 0 1 EIAF biogenic Nc1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 96905860 WMRUTCDSJAIUIC-DHDCSXOGSA-N 344.823 4.159 0 1 EIAF CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)s1 103521274 PFSKASNHPGYUNF-KRWDZBQOSA-N 331.437 4.292 0 1 EIAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1F 104115887 VLGFMESZSRCMPK-CFBLSMTOSA-N 344.390 4.089 0 1 EIAF c1cc2cc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)ccc2[nH]1 114335498 PBHMZFQBWANQMI-LJQANCHMSA-N 345.450 4.121 0 1 EIAF C[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 149752483 OJPDNHCQSDWYCT-SNVBAGLBSA-N 336.416 4.135 0 1 EIAF O=C1C=CC[C@@H](/C=C/c2ccccc2)N1C(=O)/C=C/c1ccccc1 299835781 LQMHJLWIRIKRNV-DSYYFQCXSA-N 329.399 4.097 0 1 EIAF Cc1ccc(N(Cc2nn[nH]n2)Cc2ccc(Cl)cc2Cl)cc1 473123914 MOKHJAVWDCBCRE-UHFFFAOYSA-N 348.237 4.022 0 1 EIAF O=C(O)c1ccccc1/C=C/c1nc2cc(Cl)c(Cl)nc2[nH]1 586881392 FBYINNHUQAKXHG-AATRIKPKSA-N 334.162 4.133 0 1 EIAF Fc1c(Br)cc2nc(-c3occ4c3CCC4)[nH]c2c1F 586905369 MYLGGVNMLYBSCS-UHFFFAOYSA-N 339.139 4.352 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 586916387 LWSZXRPWBGINHJ-IIBYNOLFSA-N 334.419 4.396 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587062018 NNOZMHJLZDTVJR-HOCLYGCPSA-N 344.802 4.470 0 1 EIAF CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3NC)[nH]c2c1 587065999 CZLFNBDAEKCWJL-UHFFFAOYSA-N 329.787 4.102 0 1 EIAF Nc1ncc(Cl)nc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587086424 JSOCZXGYBXDVPI-UHFFFAOYSA-N 337.770 4.048 0 1 EIAF Fc1ccc(-c2nc3c(ccc4ncccc43)[nH]2)nc1Br 587155381 KQKGPFJDVRRSCL-UHFFFAOYSA-N 343.159 4.075 0 1 EIAF C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340836 UKIQWHIUHMPFPQ-FPOVZHCZSA-N 349.361 4.201 0 1 EIAF CC[C@@]1(CSC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369888 QZKKGCVAJKVGDI-HKUYNNGSSA-N 346.423 4.402 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Cl)c1O)O2 587375771 OSRRTZSPWWPOBL-CQSZACIVSA-N 338.190 4.296 0 1 EIAF COc1ccc([C@@H](C)[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441860 JDXIBEQFCYZWJA-ZXNZOMRRSA-N 338.403 4.014 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4nccs4)c1)[C@@H](C2)C3=O 587453372 QHXHMAXWZQBDHL-KXBFYZLASA-N 349.411 4.307 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC)cc1)[C@@H](C2)C3=O 587454319 YDYLEDSQZPNDGR-KXBFYZLASA-N 326.417 4.080 0 1 EIAF CC(C)C[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602365 JNKMAUUUQQLLPA-ROOHIHILSA-N 326.392 4.405 0 1 EIAF CCOC(=O)c1c(-c2cncn2C)[nH]c2ccc([C@H](C)CC)cc12 587641383 FLQQKHJJSOAKCC-GFCCVEGCSA-N 325.412 4.259 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(=O)C(C)(C)C)N1 587813050 MPXCFOPOEAIBEI-OTYXRUKQSA-N 342.252 4.169 0 1 EIAF CSCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587842761 GCBFORVMKIARIU-YMTOWFKASA-N 332.282 4.091 0 1 EIAF CC[C@@]1(Cc2nc3ccc(C(=O)O)cc3[nH]2)CC(=O)c2ccccc2C1 587960598 MQQRSLDXYPIMKN-NRFANRHFSA-N 348.402 4.029 0 1 EIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587962467 JMIQZICEYQURGQ-JGVFFNPUSA-N 341.636 4.137 0 1 EIAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CCCC[C@]4(CO)[C@H]3CC[C@]12C 1857536596 SHRUZOYPFWLBFR-LEKSSAKUSA-N 332.484 4.243 0 1 EIAF CC1(C)O[C@H]2C[C@H](C(C)(C)C)OC(=O)[C@H]2[C@@H](C=Cc2ccccc2)O1 2356473031 QOMQQUBHNROENK-XDNAFOTISA-N 344.451 4.198 0 1 EIAF CCCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5785274 XQSOTCUQQRLNNS-PVHGPHFFSA-N 330.468 4.398 0 1 EIAF C[C@H](O)CNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 13646294 VBASHTSSQNDDAS-AWEZNQCLSA-N 344.418 4.085 0 1 EIAF COc1cccc2c1N[C@H]1[C@H](Cc3cccc4ccccc34)NCC[C@H]21 26662130 MDJXRHFEZCHQBQ-RZUBCFFCSA-N 344.458 4.331 0 1 EIAF COc1ccc2c(c1)[C@@]13CC[C@H](C)C[C@H]1[C@@H](C2)N(CC1CC1)CC3 26675272 QXUTYQGRNHORHX-RWXMBLCBSA-N 325.496 4.410 0 1 EIAF CN(C)c1nnc(-c2cccc(C(C)(C)C)c2)n1-c1cccc(O)c1 36221915 LSXXGRSRXNOSOV-UHFFFAOYSA-N 336.439 4.003 0 1 EIAF Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(N)=S)cc1 49033498 LNQLPJTUONOFGP-INIZCTEOSA-N 329.856 4.043 0 1 EIAF CCCCCCCCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O 59717752 UKYHLLGYGAUXBA-UHFFFAOYSA-N 336.472 4.086 0 1 EIAF COc1cc2c(cc1OC)-c1c(-c3cccc(Cl)c3)ncn1CC2 84587474 PQLTZXWSOPPUKC-UHFFFAOYSA-N 340.810 4.444 0 1 EIAF O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 87613209 BAZFHAGOCKJYHX-UHFFFAOYSA-N 340.770 4.315 0 1 EIAF in-vitro O=C(O)C[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 95579070 GLZJNUJIBZKEJY-CQSZACIVSA-N 347.208 4.280 0 1 EIAF C[C@H]1CCN(C(=O)c2ccc3c(c2)N=CC3)[C@H]2Cc3ccccc3[C@@H]12 100621220 MXJWQPVOADFLKP-SZFUDVHCSA-N 330.431 4.136 0 1 EIAF Clc1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1 103287363 JZMYBXLGJITHJK-UHFFFAOYSA-N 331.832 4.084 0 1 EIAF COc1ccc(-c2n[nH]c3ncc(-c4ccc(F)cc4N)cc23)cc1 169322493 SYELDFIVJFUTRT-UHFFFAOYSA-N 334.354 4.022 0 1 EIAF CCCCc1ccc(/C=C2\CN3[C@H]4CC[C@H]3[C@@H](C(=O)OC)[C@H]2C4)s1 253637880 YQQAIKWUGKLZAA-MEHCIMFJSA-N 345.508 4.130 0 1 EIAF CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 299849222 ZBTJTYWUOIBBHI-DLZWTQKGSA-N 331.463 4.064 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(Br)c3[nH]2)cc1 586887546 IXHVNZANTSSUGF-ZBEGNZNMSA-N 345.240 4.471 0 1 EIAF Cc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br 586897305 ZMUMFDDMPQHFSG-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 586916385 LWSZXRPWBGINHJ-IERDGZPVSA-N 334.419 4.396 0 1 EIAF Clc1ccnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029052 FRLGLOZYGGRLHM-UHFFFAOYSA-N 342.811 4.314 0 1 EIAF N[C@H](N=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587072989 BLFSDTUPAHIWFW-MRXNPFEDSA-N 340.814 4.214 0 1 EIAF Cc1ccc2c3c(cc(-c4cnns4)nc13)-c1ccccc1C2=O 587102806 YVULRMRDEJXDLH-UHFFFAOYSA-N 329.384 4.273 0 1 EIAF FC(F)(F)c1cccnc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587109198 VKCXBWNQLDBETB-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF Fc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1F 587120534 NLACHFLORBRRCV-UHFFFAOYSA-N 338.239 4.403 0 1 EIAF Nc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1N 587148365 BYVPLIWWKXIJRT-LJQANCHMSA-N 347.397 4.068 0 1 EIAF CC(C)(C)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2n1 587164793 ALAXXNXQQSVZKD-UHFFFAOYSA-N 349.413 4.306 0 1 EIAF Fc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1C(F)(F)F 587175478 DZPOWTVSSREACY-UHFFFAOYSA-N 347.674 4.499 0 1 EIAF CCCOc1ccc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587399852 MQCLIXBVKKDDRG-LJQANCHMSA-N 325.408 4.381 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(N)cc(F)cc1F)CC2=O 587465320 HIXIJVQFMGCKIT-IBGZPJMESA-N 347.361 4.086 0 1 EIAF O=C1C[C@@H](c2cn3cccc(F)c3n2)Oc2c1ccc1c2CCCC1 587510029 UHYCIKPCDXIELM-SFHVURJKSA-N 336.366 4.059 0 1 EIAF O=C1C[C@]2(CCCC[C@@H]2[C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587536786 WMOUQZHDKKWYIY-PERKRYKHSA-N 340.463 4.496 0 1 EIAF Cn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cn1 587629774 HBCRYWJLZFKENE-UHFFFAOYSA-N 345.683 4.106 0 1 EIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(-c3ccncc3)c2c1 587651618 XBJPEJDQKYHGSH-UHFFFAOYSA-N 348.427 4.300 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2cccc(O)c2n1 587871475 INMIVIULLWUUOZ-UHFFFAOYSA-N 349.365 4.331 0 1 EIAF COc1cccc(C2(c3nc4cncc(Cl)c4[nH]3)CCCC2)c1 587930821 KSTXZGYNJIHHEX-UHFFFAOYSA-N 327.815 4.480 0 1 EIAF CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2n1 1857574419 GPXRRUDPSLQBLD-UHFFFAOYSA-N 343.814 4.458 0 1 EIAF COC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356764644 YSBQFDHILMUWPK-HGBUANBSSA-N 332.484 4.387 0 1 EIAF Cc1csc(NC(=O)c2ccc(COc3ccccc3F)o2)n1 47065282 RGUDQFXDXGWERA-UHFFFAOYSA-N 332.356 4.015 0 3 EIAF Cc1nc(-c2ccc(C)s2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13436250 NTHXVKSHJIPMOJ-UHFFFAOYSA-N 333.434 4.090 0 1 EIAF c1ccc(Cn2cc(CCCCN3CCOCC3)c3ccccc32)cc1 28704793 YHHRUYIIJGOCON-UHFFFAOYSA-N 348.490 4.345 0 1 EIAF CC(C)c1cccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)c1 28769246 NKJVHBUEZJVPSI-NXNKFBBFSA-N 345.389 4.322 0 1 EIAF c1ccc(-n2ccc3cnc(Nc4ccc5cc[nH]c5c4)nc32)nc1 40565134 IDLVVJDPKYNPEN-UHFFFAOYSA-N 326.363 4.040 0 1 EIAF CCCN1CCC(COc2nc3sccc3n3cccc23)CC1 40896193 BJWMHMIHCAESMS-UHFFFAOYSA-N 329.469 4.050 0 1 EIAF Oc1cccc(-c2nc3ccc(O)cc3nc2-c2cccc(O)c2)c1 71295577 MMPJUGQEIFUORK-UHFFFAOYSA-N 330.343 4.081 0 1 EIAF Cc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)[nH]n2)n1 95562048 NNJWWUDHGARGDT-UHFFFAOYSA-N 341.418 4.454 0 1 EIAF Nc1ccccc1NC(=O)c1ccc(CNc2ccc(F)cc2)cc1 115150593 WMDNSDXVHCLCNF-UHFFFAOYSA-N 335.382 4.272 0 1 EIAF Cc1ccc(C(=O)Cn2c3c(sc2=N)C[C@@H]2CCCC[C@H]2C3)cc1 136069481 WPKQJUXBHISZDT-HOTGVXAUSA-N 340.492 4.125 0 1 EIAF C=CC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C 139468504 LPKZOHZIRQTSLV-XJKSGUPXSA-N 345.402 4.157 0 1 EIAF O=C(NCc1cccc(Cl)c1)Nc1nc(-c2ccncc2)cs1 165410444 ZMGTUZCVLJJGGU-UHFFFAOYSA-N 344.827 4.180 0 1 EIAF FC(F)(F)c1cccc(N2CCN(C[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)c1 169294125 FIAOAIAXJRLEKI-BZUAXINKSA-N 336.401 4.040 0 1 EIAF Cc1cc(N2CCn3cccc3C2)cc(C)c1NC(=O)CC(C)(C)C 207517777 DTBCGYKPZMEEKN-UHFFFAOYSA-N 339.483 4.500 0 1 EIAF Fc1c(Cl)cc2nc(-c3csc4c3CCOC4)[nH]c2c1F 587032496 XCZHFBUZVXIMNE-UHFFFAOYSA-N 326.755 4.296 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=N)N)cc2[nH]1 587114939 ZXMPGFWUBPIEBE-SNVBAGLBSA-N 346.356 4.212 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587134029 ILCAPRNOOOCSRK-UHFFFAOYSA-N 343.102 4.115 0 1 EIAF N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587155172 IHQAIPQYPNOUFZ-QLJPJBMISA-N 336.197 4.350 0 1 EIAF Fc1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587168944 OMLOSTBENQCZIQ-UHFFFAOYSA-N 328.240 4.439 0 1 EIAF Fc1ccc2c(-c3nc4ccc(Br)nc4[nH]3)coc2c1 587174182 FYSRSFWGGZFSRZ-UHFFFAOYSA-N 332.132 4.273 0 1 EIAF c1ccc(CN2C[C@H]3CCc4nc5cccc6c5c(c4[C@H]3C2)CC6)cc1 587212076 LACCIWLYEVAZMC-QUCCMNQESA-N 340.470 4.495 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C)c(C=O)c(C)c1C)O2 587404015 CEGYVZWKYDVYFD-IBGZPJMESA-N 337.419 4.330 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587421374 LIGMAQIXXKGVBT-BTDLBPIBSA-N 335.186 4.491 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(C)(C)C)cc1O)[C@@H](C2)C3=O 587449165 HZPTZNOPKJHSGS-YWZLYKJASA-N 338.403 4.187 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(SC)cc41)[C@@H](C2)C3=O 587452942 QIIFEOMZMNQTHM-OXJNMPFZSA-N 338.428 4.006 0 1 EIAF O=C1C[C@H]([C@@H]2COc3ccccc3C2)Oc2c1ccc1c2CCCC1 587535649 MTTVXMKVZWFMIL-HRAATJIYSA-N 334.415 4.151 0 1 EIAF O=C1C[C@H](c2cccc3nsnc23)Oc2c1ccc1c2CCCC1 587537824 KPUHQQQBQFYJNP-QGZVFWFLSA-N 336.416 4.277 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(F)F)CC2)N1 587719793 RFONILWOUCSSNI-KRTXAFLBSA-N 334.179 4.209 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587786554 RPJRTSQDKWRJGY-HZPDHXFCSA-N 343.386 4.055 0 1 EIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C 587827290 JJDVVFFNMRPCRS-ABKXIKBNSA-N 338.220 4.422 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncc(Cl)c2[nH]1 587926631 KGGSOXSHHWMNAZ-LLVKDONJSA-N 331.803 4.170 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cccc(Cl)c1 963051705 FPDNSYVSKSMCGT-HXUWFJFHSA-N 338.838 4.306 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc2c(cnn2C)c1 963227407 JGLDMRXNYCIVSC-AOMKIAJQSA-N 333.479 4.493 0 1 EIAF COC(=O)C1=CCCC(C)=CCCC(C)=C[C@@H]2OCC(C)=C2C[C@@H]1O 2356378412 JLJVVACYDKDARP-PMACEKPBSA-N 346.467 4.019 0 1 EIAF CCCCCc1c(CCC(=O)C[C@@H](O)CCC)ccc(O)c1OC 2356495871 INXSWTFQPWVYBO-INIZCTEOSA-N 336.472 4.186 0 1 EIAF c1ccc(COc2ccc(-c3cc(C4CCNCC4)n[nH]3)cc2)cc1 13580856 DZMLWDRXHPVPGK-UHFFFAOYSA-N 333.435 4.123 0 1 EIAF Cc1nc2c(OCc3c(Cl)cccc3Cl)cccn2c1CO 13778237 CGDQJCQNOSHQMN-UHFFFAOYSA-N 337.206 4.021 0 1 EIAF O=C(O)[C@H]1CC[C@@H]2CC(=C(c3ccccc3)c3ccccc3)CCN2C1 29328946 VAKLFDOSONDEFA-LEWJYISDSA-N 347.458 4.448 0 1 EIAF C[C@@H](O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801344 YNZAQRSPHOQQKX-LSIQDJAISA-N 347.543 4.093 0 1 EIAF CC(C)C(=O)c1cn(-c2ccc(C(N)=O)cc2Cl)c2ccccc12 34985185 STAYDSJBVSQREY-UHFFFAOYSA-N 340.810 4.222 0 1 EIAF COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3ccccc3)c12 64528077 NIZZNJQIZQTNQR-UHFFFAOYSA-N 343.404 4.275 0 1 EIAF c1ccc(CCN[C@@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169321574 DHJQRAFHBGXERD-GCJKJVERSA-N 345.490 4.062 0 1 EIAF CC(C)C(=O)Nc1ccc(SC[C@H]2CCCN3CCCC[C@H]23)nc1 504314488 SZPCATKYZXNXET-NVXWUHKLSA-N 347.528 4.033 0 1 EIAF biogenic CCc1ccc(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)cc1CC 586879279 NNCWDDLDFDODMG-UHFFFAOYSA-N 342.464 4.148 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](OC1CCC1)C3 586992081 NAHNZXSUBFNCTP-KRWDZBQOSA-N 343.382 4.318 0 1 EIAF CCO[C@H](C)c1nc(C)c(-c2nc3c(C)cnc(Cl)c3[nH]2)s1 587014049 GRIBWXUFSOIICB-SECBINFHSA-N 336.848 4.449 0 1 EIAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587027251 SSQHRSFNKZLWDL-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF Cc1nccc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587135183 UYWPDIZSDDNYKU-NSCUHMNNSA-N 325.240 4.132 0 1 EIAF Cc1cnc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 587162923 HCGQCNANJODDRB-UHFFFAOYSA-N 346.365 4.325 0 1 EIAF Cc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c(Cl)c1 587209571 ROPZBOKMTSNSHR-UHFFFAOYSA-N 336.822 4.476 0 1 EIAF CSc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 587217392 VRXLXUDVNLACQJ-UHFFFAOYSA-N 335.428 4.349 0 1 EIAF Nc1c(-c2nc3cc(Br)cnc3[nH]2)ccc2ccccc12 587254103 LTJBFAQBZODPAZ-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF COc1cc2c3c(c1)O[C@](c1cc4ccccc4o1)(C1CC1)[C@@H](C2)C3=O 587455667 PGYNOMNIBRZBPV-KSFYIVLOSA-N 346.382 4.494 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccnc1)CC2=O 587469827 GLWWUGGQUNVAJW-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1CC)CC2=O 587491470 SMWAAQOAISVHOW-HXUWFJFHSA-N 325.408 4.183 0 1 EIAF C[C@@H](N(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502889 GABJECVFROOLDE-MWTRTKDXSA-N 349.474 4.376 0 1 EIAF Cn1ncc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 587517334 LCHZXNVAWQQIQW-IBGZPJMESA-N 332.403 4.159 0 1 EIAF CCCCC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813575 PDNNHCAFWFEDMC-MGPLVRAMSA-N 342.252 4.097 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 587824004 SVPVXXCGLDKCGZ-VXDFRWNLSA-N 336.248 4.376 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cncc(C)n1 587859764 ICRZZBIQOBPAKL-UHFFFAOYSA-N 349.221 4.343 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(C)c1C 587870832 SWCMYUXUCSEONE-UHFFFAOYSA-N 338.382 4.393 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 587932585 QMUGIHIVYALPRO-UHFFFAOYSA-N 344.414 4.440 0 1 EIAF CCC[C@@H]1CN(C)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962705204 KLGQCYMPEUGBAT-UZLBHIALSA-N 344.524 4.347 0 1 EIAF CC[C@H](C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)(O)O 1772602450 GFNPKNXHMCDFEQ-NWDGAFQWSA-N 328.345 4.159 0 1 EIAF Cc1nn(C(=O)c2ccccc2)c(N)c1-c1ccc(Cl)c(Cl)c1 1857773722 BWBYLAJJDHKPAY-UHFFFAOYSA-N 346.217 4.436 0 1 EIAF CCCCC[C@@H](O)[C@H](O)C=CC=CC=CCC=CCCCC(=O)O 2356388102 RFCYXKNVYQOCTM-RTBURBONSA-N 336.472 4.158 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC2=C(C)CC[C@@H](C(C)C)[C@@H]2C=C1C(=O)OC 2356692220 NWOSQAZFIFOMOK-YMFLFHJQSA-N 348.483 4.446 0 1 EIAF CO[C@@H]1CCC(=O)[C@H](C)[C@]12CCC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H](O)CC[C@]21C 263591004 XWOZYZGXGDQFHL-WHOWVVIGSA-N 348.527 4.364 0 3 EIAF CC1(C)OC(=O)Nc2ccc(-c3ccc(C(=O)C(F)(F)F)[nH]3)cc21 26267510 DNKIJWSPAAVFKM-UHFFFAOYSA-N 338.285 4.224 0 1 EIAF C[C@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26391336 NNSRXNWUJQJDLG-JHWLTNBOSA-N 347.543 4.094 0 1 EIAF Cc1ccccc1N1CCN(Cc2cccc([C@@H](O)C(C)C)c2)CC1 27421567 PJOGOJLTFFSGPB-QFIPXVFZSA-N 338.495 4.007 0 1 EIAF CCCc1cc(CCC)n2nc(SCc3ccccc3)nc2n1 27427275 QRLDRANXERNDHG-UHFFFAOYSA-N 326.469 4.322 0 1 EIAF CCN(CC)C[C@@H](C)Nc1ccnc2cc(C(F)(F)F)ccc12 27549738 LAUYMVDAYJGGBO-GFCCVEGCSA-N 325.378 4.396 0 1 EIAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2c2ccccc2)cc1 28704322 OUCJOHNZCRJCPF-GOSISDBHSA-N 347.867 4.253 0 1 EIAF CCCCNc1nc2c(C)cc(C)cc2n1Cc1nc(C)ccc1O 28710377 ZYGWFKKUZKNHFH-UHFFFAOYSA-N 338.455 4.322 0 1 EIAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1 45285947 VRCBONSLAHZZTQ-OAQYLSRUSA-N 347.414 4.373 0 1 EIAF Nc1nc(OCC2CCCCC2)c(N=O)c(OCC2CCCCC2)n1 95559662 MQNJIEROEOVSOR-UHFFFAOYSA-N 348.447 4.375 0 1 EIAF O=C1[C@H]([C@@H](O)c2cccc3ccccc23)CCCN1Cc1ccccc1 103282719 RJMBWHZCMCFCPO-VXKWHMMOSA-N 345.442 4.312 0 1 EIAF CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)cc1 103521138 YUVGPZQZMGXNNS-SFHVURJKSA-N 325.408 4.230 0 1 EIAF COc1cccc(-c2cc(N[C@H](C)c3cccc(O)c3)nc(C)n2)c1 205840796 BKZZCSWWWLVMJX-CYBMUJFWSA-N 335.407 4.339 0 1 EIAF Nc1oc2c(-c3ccncc3)nccc2c1Nc1ccc(F)c(F)c1 219246663 YZPRNUIZJURTKK-UHFFFAOYSA-N 338.317 4.494 0 1 EIAF COC(=O)Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1 299838771 NXHKYBGXKCFXET-UHFFFAOYSA-N 344.314 4.198 0 1 EIAF CN(C)c1cccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)c1 328577281 FTFGQJKAWBRVCG-QGPMSJSTSA-N 327.859 4.076 0 1 EIAF in-vitro Brc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586883669 KTSTUTKSPQFRHZ-ZSYFIWHWSA-N 332.245 4.188 0 1 EIAF Clc1cnc(Cl)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 587017190 SNOWDTRTMVNSOS-MRVPVSSYSA-N 341.223 4.240 0 1 EIAF Cc1cc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c(C)n1 587023073 JISYKBOAHAXQMW-UHFFFAOYSA-N 345.428 4.045 0 1 EIAF COc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)n1 587084056 UBAYYOLJTWYYGZ-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF COc1c(F)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1F 587135303 YQBAIVGRGGCUTO-UHFFFAOYSA-N 332.203 4.073 0 1 EIAF Fc1cc(Br)c2[nH]c(CCc3ccccc3F)nc2c1 587148794 HMAQHRDUONBBFX-UHFFFAOYSA-N 337.167 4.389 0 1 EIAF Nc1ccc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)cc1 587251237 DCOPEYLTPFTROT-ZZXKWVIFSA-N 332.176 4.217 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cc1OC(F)F)O2 587381235 DHVKWVALGOPLFI-OAHLLOKOSA-N 337.297 4.024 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](C[C@H](C)C(=O)OC(C)(C)C)CC2=O 587482799 JLCMCSICGAOJFG-STQMWFEESA-N 348.439 4.046 0 1 EIAF COc1cc(C)ccc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587564168 LSMPZDHQUIETCF-UHFFFAOYSA-N 338.741 4.391 0 1 EIAF O=C(O)CCc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638751 OZGSVSGYKZXCGO-UHFFFAOYSA-N 343.766 4.204 0 1 EIAF COC[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793899 OEVPJPUUPMKYAD-MEDUHNTESA-N 344.268 4.010 0 1 EIAF CSCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587845065 MOBJMICTXRQNBR-SKDRFNHKSA-N 332.282 4.307 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(O)c(F)c1 962373377 LHABCAWKCMEEAT-IBGZPJMESA-N 342.439 4.079 0 1 EIAF COc1cc2c(cc1OC)[C@](C)(c1oc(C)cc1C)N(C)[C@H](C)C2 962624085 DCJPYYPBUSEZOF-ZUOKHONESA-N 329.440 4.054 0 1 EIAF Clc1cnccc1-c1nc(NC2CCCC2)c2ccncc2n1 1857572776 SJESHGZXDZZGON-UHFFFAOYSA-N 325.803 4.095 0 1 EIAF COc1ccc2c(c1)c1c3n2C(=O)CC[C@H]3N(Cc2ccccc2)CC1 1857768858 XRLWMFHFUDKMOA-HXUWFJFHSA-N 346.430 4.183 0 1 EIAF C[C@@H]1C[C@H](O)[C@H](C)[C@]12CCC1=C2C[C@]2(C)CC[C@@](C)(C(=O)O)[C@]12C 2356791708 IXCQNXRKDUGZGO-CYAKSUCLSA-N 332.484 4.401 0 1 EIAF CCC(CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13794999 KINWKEYFDKNBQH-UHFFFAOYSA-N 338.459 4.045 0 1 EIAF Oc1ccc(COCc2ccc(O)c(Cc3ccc(O)cc3)c2)cc1 15252683 QBQNMIPDPJEZHR-UHFFFAOYSA-N 336.387 4.111 0 1 EIAF biogenic Nc1ccc(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 26470972 RJLPOIBTJZZQJV-UHFFFAOYSA-N 336.627 4.062 0 1 EIAF O=C(O)[C@@H]1CC[C@H]2CC(=C(c3ccccc3)c3ccccc3)CCN2C1 29328951 VAKLFDOSONDEFA-RTWAWAEBSA-N 347.458 4.448 0 1 EIAF COc1ccc2nc(/C=C/c3cc4c(cc3Cl)OCO4)[nH]c2c1 40379672 OTMLYLKCAMWEQZ-GORDUTHDSA-N 328.755 4.124 0 1 EIAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1C1[C@@H](F)C[C@H]1F 40423812 DYKGTVVHHZGYQR-YKHHBYBVSA-N 338.206 4.016 0 1 EIAF CCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 40933541 ZMDFAJCIDQNOBD-UHFFFAOYSA-N 326.396 4.221 0 1 EIAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccccc3Cl)cc2)S1 45366231 WUQGICMEGMPYFK-CQSZACIVSA-N 333.796 4.026 0 1 EIAF CC(=O)OC[C@@]12CCCC=C1CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]12 58590125 QLZOSNWYWZNEJT-VLFNSIGCSA-N 330.468 4.452 0 1 EIAF CCS(=O)(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1 71317169 WWXGEPXKUCBUAI-UHFFFAOYSA-N 337.400 4.442 0 1 EIAF Cc1cccc(-c2nc(N3CCCC3)ncc2-c2nc(C)c(C)o2)c1 82173150 LNNGNYVLWUVOFP-UHFFFAOYSA-N 334.423 4.324 0 1 EIAF C[C@@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 116229964 HEYDRRQYMSWMSI-CQSZACIVSA-N 347.418 4.374 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C([C@H](C)O)[C@@]4(C)CC[C@@H]32)C1 136056118 XGTRFWNUPBJUPH-UGCWKVCJSA-N 329.528 4.454 0 1 EIAF CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(CO)[C@@H]3CC[C@@]12C 253635923 SHRUZOYPFWLBFR-UCGFNCKJSA-N 332.484 4.243 0 1 EIAF O=C1[C@@H](c2ccc(Cl)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1 584629714 MROLISXVHFKEAO-GOSISDBHSA-N 337.810 4.251 0 1 EIAF COc1ccc(C=O)c2cc(-c3nc4c(cnc5ccccc54)[nH]3)oc12 586904178 RKUBJJWUFOERSO-UHFFFAOYSA-N 343.342 4.345 0 1 EIAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 586909524 FHMQJAHJTVMIGQ-KWQFWETISA-N 327.197 4.137 0 1 EIAF Cc1cc(Cl)cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587041785 GETKHPJUFLMEGO-GFCCVEGCSA-N 337.876 4.145 0 1 EIAF Clc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 587079573 DQEVZPRFTVOSRA-KRWDZBQOSA-N 342.782 4.054 0 1 EIAF CCOC(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081721 ZBSGQTOFARGFFN-MRXNPFEDSA-N 342.782 4.069 0 1 EIAF COc1cncc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083456 VFOFCSAVOQYYPE-UHFFFAOYSA-N 345.189 4.489 0 1 EIAF FC(F)(F)COc1cc(-c2nc3cnc4ccccc4c3[nH]2)ccn1 587091657 MULVKJUQETZTGY-UHFFFAOYSA-N 344.296 4.114 0 1 EIAF Cc1ccc2c3c(cc(C4(C)COCOC4)nc13)-c1ccccc1C2=O 587102019 KXQXJQDWWTXKCG-UHFFFAOYSA-N 345.398 4.017 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(N)=O)cc2[nH]1 587114604 VBDFXNZELTXYHV-JTQLQIEISA-N 347.340 4.027 0 1 EIAF Cc1ccc2c(ccc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c32)n1 587115627 SLAPBCKYWPJHLT-UHFFFAOYSA-N 330.313 4.444 0 1 EIAF O=C(O)C[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206729 LXQVTSGRIZGZFP-GFCCVEGCSA-N 343.382 4.026 0 1 EIAF Cc1[nH]c(=N)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208757 YYVAIIVODGEHGZ-UHFFFAOYSA-N 343.411 4.291 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccncc4)cc1)[C@@H](C2)C3=O 587436313 NONKXPPHBHVAKK-AVRDEDQJSA-N 343.382 4.246 0 1 EIAF CCC[C@@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455895 QWWFUKYCLSGWQN-PXARDIRTSA-N 344.451 4.187 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](CO[C@H](C)c1ccccc1)CC2=O 587488221 IMMCIPMRTFDONM-GDBMZVCRSA-N 340.419 4.456 0 1 EIAF CC(C)O[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587524583 OUUSOPMNUZIIML-RXVVDRJESA-N 328.452 4.493 0 1 EIAF Cc1ccnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773975 SZAZEBDWOGGISH-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF O=C(c1cccc2ncccc12)n1nc2cc1Oc1ccc(F)cc1-2 587875061 MNLRADXMLMBGRB-UHFFFAOYSA-N 331.306 4.032 0 1 EIAF COc1cccc(C2(c3nc4ccc(Cl)nc4[nH]3)CCCC2)c1 587931146 MEVBDBCFSXSEHB-UHFFFAOYSA-N 327.815 4.480 0 1 EIAF CCCCC[C@@H](O)C=CC=C[C@H](CCCCCCC(=O)O)CNC 2356775633 OHARIIBWMLIIBY-RBUKOAKNSA-N 339.520 4.301 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1C[C@H](C)c2c(c(O)c3occ(C)c3c2C)C1=O 13299885 PCKTVUSCRGCLKU-NSFRVAJKSA-N 342.391 4.323 0 1 EIAF COc1cccc2c1cc(CCNC(=O)C1CCC1)n2-c1ccccc1 13863803 BWEXMUGOWBSZPR-UHFFFAOYSA-N 348.446 4.098 0 1 EIAF COC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCCO 15165717 HXEGZMICEDPCFY-ROUUACIJSA-N 328.493 4.381 0 1 EIAF biogenic C[C@H](Sc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)cc1 32232090 INNLLOVXPZWYDT-VIFPVBQESA-N 330.844 4.301 0 1 EIAF Cc1ccc(C2=NCCN=C(NC(C)(C)Cc3ccccc3)C2)cc1 36270488 XOYMUXRPYCNLIN-UHFFFAOYSA-N 333.479 4.197 0 1 EIAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1 63298245 XNLJDUXNZQBRSE-UHFFFAOYSA-N 345.402 4.405 0 1 EIAF COc1cc(C(=O)c2cc3ccc(Cl)cc3[nH]2)cc(OC)c1OC 72107792 CLZOIPGJZJAVIH-UHFFFAOYSA-N 345.782 4.078 0 1 EIAF Fc1cccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)c1 82067540 IWHMHOUZAXYQIT-UHFFFAOYSA-N 331.297 4.298 0 1 EIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 103666774 GHYBXTSPARTDQY-VZCCSQPZSA-N 333.391 4.456 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C[C@@]43C)[C@@H]1CC=C2n1ccnc1 169208283 XYNQXASHVSDJLI-HGDYXINXSA-N 326.484 4.347 0 1 EIAF C[C@@H](O)c1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)s1 587022585 RDZMIYYMFWFAGA-RXMQYKEDSA-N 347.749 4.412 0 1 EIAF CCOC(=O)[C@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587103255 JUBUFYZKXSQLQV-GOSISDBHSA-N 349.361 4.328 0 1 EIAF COC(=O)c1ccc2[nH]cc(-c3cc4c5c(cccc5n3)CC4)c2c1 587212845 VXILPAURARUEPA-UHFFFAOYSA-N 328.371 4.268 0 1 EIAF COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1C 587228978 LAEPCOMLJFIPJH-UHFFFAOYSA-N 339.439 4.242 0 1 EIAF COc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230365 TZAMNXONYPYCDH-UHFFFAOYSA-N 330.391 4.246 0 1 EIAF Oc1ccc(Nc2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 587241845 BNCYPBSHTQQKFX-UHFFFAOYSA-N 337.770 4.074 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2C2CC2)[C@@H]1c1ccc(F)cc1 587348725 ASJZCOUNUVUTTR-DSKINZAPSA-N 338.378 4.449 0 1 EIAF COc1cccc(Cl)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376881 USTSQALXCOIYMI-GOSISDBHSA-N 331.799 4.120 0 1 EIAF COc1cc2c3c(c1)O[C@@](CCC(C)C)(c1ccoc1)[C@@H](C2)C3=O 587451989 CLGMQCFEGWZZHQ-JXFKEZNVSA-N 326.392 4.367 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCF)cc1)CC2=O 587465247 FYLBIHCCJRAUMD-LJQANCHMSA-N 344.382 4.400 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1cccnc1)CC2=O 587492073 WMAZHXKWQSBOMG-UTKZUKDTSA-N 337.419 4.411 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C3CC3)s1)CC2=O 587497634 XOHQKKXYGKZQQN-HNNXBMFYSA-N 329.421 4.385 0 1 EIAF O=C1C[C@@](CO)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587502792 FGBALKNYHWTOML-HXUWFJFHSA-N 342.822 4.072 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1F 587568130 LCIWZHSJDWXKER-YOEHRIQHSA-N 342.347 4.296 0 1 EIAF Cc1cc(O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607311 HUWLTRCLFABZAV-RXVVDRJESA-N 348.354 4.109 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccncc2)N1 587779945 WXNLWARFUOVPKU-IGNVYUPESA-N 347.231 4.272 0 1 EIAF CN(C)CCc1cn(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)nn1 1772612112 NNYWKUOLRSVLEM-UHFFFAOYSA-N 342.531 4.026 0 1 EIAF COc1cc(/C=C/c2cccs2)cc(OCCn2ccnc2)c1 1857548663 UYJCKUDQQJLXIS-SNAWJCMRSA-N 326.421 4.203 0 1 EIAF C[C@@H](N=c1[nH]c2ccccc2n1Cc1ccccc1)c1nccs1 1857554408 HPICYMVZOYTQBD-CQSZACIVSA-N 334.448 4.136 0 1 EIAF CO[C@@H]1CCCc2[nH]c(=Nc3cccc(C(F)(F)F)c3)sc21 1857769588 SHFYRGHBWCWPCC-GFCCVEGCSA-N 328.359 4.351 0 1 EIAF N[C]1Sc2ccccc2N1CC(=O)c1ccc(Cl)c(Cl)c1 2356854055 OSLHTQIZXQCYBO-UHFFFAOYSA-N 338.239 4.194 0 1 EIAF CC(C)N1C(=O)COCc2cc(-c3ccc(F)c(Cl)c3)ccc21 74375438 HEWUKYDNUYCXGQ-UHFFFAOYSA-N 333.790 4.418 0 3 EIAF CC(C)(C)OC(=O)N1[C@@H]2Cc3ccc(N)cc3[C@@]1(C)c1ccccc12 5596352 PTDWCQNGXMGUHR-WIYYLYMNSA-N 336.435 4.380 0 1 EIAF Sc1nc(-c2ccccc2Br)nn1Cc1ccccc1 13536874 FKZLBZDXOZJIIY-UHFFFAOYSA-N 346.253 4.045 0 1 EIAF CCO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 13557130 MDLRKEWDNACVBE-DEOSSOPVSA-N 346.342 4.181 0 1 EIAF CCN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1 13742146 FOKZGYOWEMIREU-UHFFFAOYSA-N 343.474 4.142 0 1 EIAF Cc1cccc2c([C@@H](O)[C@H]3CCCCN3)cc(-c3ccccc3)nc12 27523801 VBGIETLZISGHRP-DENIHFKCSA-N 332.447 4.386 0 1 EIAF CC(C)n1c(-c2ccccc2Br)nc(=O)c2ccccc21 27646022 FFPMVKGKUXPTRB-UHFFFAOYSA-N 343.224 4.407 0 1 EIAF Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCC3)c12 45245613 SEUAWPORDBCNHI-UHFFFAOYSA-N 340.814 4.114 0 1 EIAF COc1ccc2c(c1)oc1c(Nc3ccc(F)cc3F)ncnc12 95598280 MSOZBPWCMJVHLV-UHFFFAOYSA-N 327.290 4.406 0 1 EIAF c1ccc2c(c1)C[C@H]1N[C@@]2(C2SCCCS2)c2ccccc21 100649293 PJTKFTBQVOSAOH-IEBWSBKVSA-N 325.502 4.327 0 1 EIAF COc1ccc(-c2ccc(C(N)=O)cc2)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100969384 NNHAPWOEXKWSIB-XVSDVWIESA-N 337.419 4.029 0 1 EIAF COc1ccc(-c2cc3cc([125I])ccc3[nH]2)cc1 102079219 IOOLTPQPDKMPQS-RFLHHMENSA-N 347.172 4.448 0 1 EIAF COc1cc(C[C@@H]2CC(c3cccc4ccccc34)=NO2)ccc1O 103212094 GWLFPZFNEWEMHL-MRXNPFEDSA-N 333.387 4.290 0 1 EIAF Clc1ccc2c(NCCCNc3nccc(Cl)n3)ccnc2c1 103260162 KNYVQHOAQKLRGM-UHFFFAOYSA-N 348.237 4.246 0 1 EIAF Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)N2 141898388 LMVLUIGCBTZPJK-AATLZSDMSA-N 334.463 4.059 0 1 EIAF CCc1ccc(C)n2nc(CCc3ccc4cc(F)ccc4n3)nc12 144450495 CPPUIDGHVWWSII-UHFFFAOYSA-N 334.398 4.073 0 1 EIAF COC(=O)[C@]12CC[C@@]34CC[C@@](C)(C=C[C@@H]3[C@H]1CC[C@@H]2C(C)C)OC4 263636835 IUFGEQBIXNEGRY-CBMYKLCHSA-N 332.484 4.363 0 1 EIAF Clc1cnc2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979500 NYOLLNOEYRHKBC-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cc1cc(C)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 586982573 MCEZXLIAQQPYCR-UHFFFAOYSA-N 329.197 4.422 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(F)c(F)cc2[nH]1 587026788 IQKAEOIZALOVHZ-UHFFFAOYSA-N 331.347 4.457 0 1 EIAF O=C1CCc2cc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3cc2N1 587087642 MTGSUKPGXQDLHJ-UHFFFAOYSA-N 336.782 4.249 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CN1CCC4CC1)-c1ccccc1C2=O 587097078 OSVZVFQELAUADC-UHFFFAOYSA-N 340.426 4.448 0 1 EIAF O=C(CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 587162747 LGPFPQUREFZOSP-UHFFFAOYSA-N 340.251 4.074 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCSc3c(F)ccc(F)c31)O2 587388024 ZEYDIXWIQMDCHC-GOSISDBHSA-N 347.386 4.212 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)ccc1Cl)CC2=O 587461633 LICLHIZNMANKKQ-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF C[C@H](N(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502890 GABJECVFROOLDE-QMHKHESXSA-N 349.474 4.376 0 1 EIAF Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587513276 BXDQKSDVHNXVPH-LJQANCHMSA-N 332.403 4.228 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@H]1CC[C@@H](C1)C2 587603266 LICMMIYBXZMGMT-SUNYJGFJSA-N 336.387 4.303 0 1 EIAF CN(CCc1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12)N=O 587631063 WHVJPFAGJJQIHU-UHFFFAOYSA-N 332.766 4.178 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587831828 YLFOUIGOXSKGBI-PWJLMRLQSA-N 338.220 4.422 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1F 587868436 MZMUYHUNQKGVIU-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF COc1cccc(CCc2nc3ccc(F)c(Br)c3[nH]2)c1 587931948 RLPXDQYZVGPMSF-UHFFFAOYSA-N 349.203 4.258 0 1 EIAF C[C@@H]1CC=CC[C@H]1c1nc2cccc(I)c2[nH]1 587968215 WFVZATSVSCFIFS-NXEZZACHSA-N 338.192 4.237 0 1 EIAF CC(C)(C)C[C@@]1(C2CC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732367 ZYKGMMWQFJLKGT-QAPCUYQASA-N 339.401 4.374 0 1 EIAF COc1ccc2c(c1)[C@](C)(COc1ccc(F)c(F)c1)N[C@H]1CC[C@H]21 962997682 RYDZIYFHGKGPTN-XPGWFJOJSA-N 345.389 4.117 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@@H](O)[C@@H](Cc1ccc(O)cc1)NC 2356432977 RNCWKUCWPBNWOH-XWDORNJCSA-N 333.516 4.292 0 1 EIAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@H]2C(=O)CC[C@@H](C)[C@@]21C 15220147 QNHNROHJVAPNMT-FQZPYLGXSA-N 330.424 4.316 0 1 EIAF biogenic CC[C@@]1(C)OC(/C(C)=C/COc2ccc3ccc(=O)oc3c2)=CC1=N 26727443 OUPIKVLWMCGTRT-ZEZBPEARSA-N 339.391 4.221 0 1 EIAF Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 27105693 JPDVZFGZORGXAL-UHFFFAOYSA-N 329.403 4.298 0 1 EIAF CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@@H]1N(C)C 28238668 VNZSGKMAKZYOGZ-GJZGRUSLSA-N 329.271 4.219 0 1 EIAF COc1cc(/C=C\Cc2cc(O)c3occc3c2)cc(OC)c1OC 40565700 XDDQBBHDQPXTQX-XQRVVYSFSA-N 340.375 4.420 0 1 EIAF Cc1ccc(-c2cc3c(ncn4ncnc34)n2-c2ccccc2)cc1 64480317 XHSWPVJXHLPCJX-UHFFFAOYSA-N 325.375 4.044 0 1 EIAF Cc1cc(-c2ccccc2)nc(Nc2ccc3oc(=O)ccc3c2)n1 72114539 PVGWASWLFJVKGZ-UHFFFAOYSA-N 329.359 4.302 0 1 EIAF Cc1ccccc1Nc1nnc([C@@H](O)c2ccc(Cl)cc2)s1 82078126 XOIFVQJCRQIDLT-AWEZNQCLSA-N 331.828 4.325 0 1 EIAF N=C1SCC(=O)N1c1nc(-c2ccc(Cl)cc2Cl)cs1 98082558 KGSUAWOGFODSJI-UHFFFAOYSA-N 344.248 4.131 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 103232168 NYBGTVSENFSZOR-ZHPFXUNLSA-N 349.474 4.320 0 1 EIAF CC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1 103242301 WHVIDDBOZMFAKP-UHFFFAOYSA-N 336.435 4.030 0 1 EIAF Brc1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586885050 TZEVPEXFUNGMDY-DJQAVVSRSA-N 332.245 4.188 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587008529 XWJGQPJEXKDXAJ-UHFFFAOYSA-N 345.175 4.316 0 1 EIAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)ncc2[nH]1 587011452 GVKBWWBKZIMZRD-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Clc1cccc(-c2nc(-c3nc4cncnc4[nH]3)cs2)c1Cl 587015326 MFJFRSJNLKCSMS-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF N[C@@H](N=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027410 DUBBLABCWKMQHO-INIZCTEOSA-N 335.392 4.077 0 1 EIAF FC1(F)Oc2cc3nc([C@H]4Cc5ccccc5S4)[nH]c3cc2O1 587044069 YMGLARNESPDZRA-CQSZACIVSA-N 332.331 4.274 0 1 EIAF Oc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)c1 587054158 LWSQNWHJQYXPDY-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 587114677 XEPHFKCLAUSIRW-SNVBAGLBSA-N 335.329 4.332 0 1 EIAF C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358865 YVIVSGSXISNVLC-AZUAARDMSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3)cn1)O2 587393789 MJCDVJCGRHXXNO-HXUWFJFHSA-N 330.387 4.346 0 1 EIAF CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587398341 FDEDRCJEONBLSX-IBGZPJMESA-N 341.407 4.168 0 1 EIAF CCOc1c(Cl)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420979 KBQALJSFSQUUHT-ACJLOTCBSA-N 344.794 4.236 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc4nc(C)ccc4c1)[C@@H](C2)C3=O 587436703 RXBVMVXOPPHJHH-KKSFZXQISA-N 331.371 4.041 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(CC(C)C)s1)[C@@H](C2)C3=O 587448979 CVKJUABARRGFAH-LIRRHRJNSA-N 328.433 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NCC)cc1)CC2=O 587468217 CFONGPADGNESBV-LJQANCHMSA-N 325.408 4.483 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1)CC2=O 587476061 CGLJMGPXMTXSCI-GOSISDBHSA-N 342.391 4.068 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)nc1C)CC2=O 587490605 YYRIPVTYHNMHKA-KRWDZBQOSA-N 341.407 4.072 0 1 EIAF CCCOc1cccc(Cc2nc3ccc(C(=O)OCC)cc3[nH]2)c1 587778293 JWMBBDSEMVFSFQ-UHFFFAOYSA-N 338.407 4.119 0 1 EIAF CCOc1ccccc1OCc1nc2ccc(OC(C)C)cc2[nH]1 587780738 ZTLMHOYSHUWFIK-UHFFFAOYSA-N 326.396 4.328 0 1 EIAF O=C1CCc2cc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3cc2N1 587951834 TVPHUWDTHABOMT-UHFFFAOYSA-N 333.391 4.046 0 1 EIAF Oc1cc(C(F)(F)F)nc(SCCCCc2ccccc2)n1 653825432 WPUYMIJVZPCINX-UHFFFAOYSA-N 328.359 4.316 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2NC(C)=O)N1 962944876 ICNKHXIKHRIGEG-JLTOFOAXSA-N 333.435 4.140 0 1 EIAF COc1ccc(Br)cc1-c1ccn(Cc2ccccc2)n1 1857545999 CKDAWQZFELTVAY-UHFFFAOYSA-N 343.224 4.370 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN[C@H]2C 1857616574 FRURHNMAXCCCIB-VIFPVBQESA-N 343.477 4.190 0 1 EIAF CC1=C(C(=O)OC(C)C)[C@@H](C2CCCC2)N2C(=N1)Nc1ccccc12 1911586407 NYTRCOVDWHQXGH-GOSISDBHSA-N 339.439 4.073 0 1 EIAF CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CO)CCC[C@@]21C 2356503775 SKZKDRKVEQOQIT-FCEUIQTBSA-N 344.495 4.487 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(C=C(O)C(=CC(=O)O)CC3)CC[C@@H]12 2356511224 CISIZTZWNFTWTO-AHRSYUTCSA-N 346.423 4.221 0 1 EIAF COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 11612303 NPIJXUGEZHABCE-WKZARQIDSA-N 345.489 4.097 0 1 EIAF Cn1c2c(c3ccccc31)CN(CCCOCc1ccccc1)CC2 13526495 HEBDLMZEGPOGHC-UHFFFAOYSA-N 334.463 4.143 0 1 EIAF O=C(O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1 13673483 KERRBGPWKXNBGD-UHFFFAOYSA-N 344.366 4.311 0 1 EIAF COc1ccc2cc([C@@H](c3ccc(Cl)cc3)n3cncn3)oc2c1 13680621 NSSXLAQTZVKYHU-GOSISDBHSA-N 339.782 4.324 0 1 EIAF Clc1ccc(-c2cnn3ccc(NCc4cccnc4)nc23)cc1 28530800 PWFYOSJVYMMFDP-UHFFFAOYSA-N 335.798 4.057 0 1 EIAF Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(-c3cccnc3)cc2)n1 40421271 BCSIDRMKCDVYDX-HXUWFJFHSA-N 347.443 4.231 0 1 EIAF O=C(c1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1 40584627 NEKWHUYNIJYICS-UHFFFAOYSA-N 334.419 4.141 0 1 EIAF CCCOc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)cc1 96168042 QZFGQBUTFFRJKB-GOSISDBHSA-N 337.379 4.050 0 1 EIAF COc1ccccc1S(=O)(=O)/C=C/c1ccc(C(F)(F)F)cc1 103249202 CPLOCMANZVJMEN-ZHACJKMWSA-N 342.338 4.159 0 1 EIAF Cc1nc2ccccc2cc1C(=O)n1nc(C)c([C@@H]2CCCCO2)c1C 103273695 XLIBQXGLKNWNDE-IBGZPJMESA-N 349.434 4.287 0 1 EIAF Cc1cccc(-n2nc3c(c2-c2cc4cnccc4s2)CCC3)n1 117768451 JQKNNVYRFRWQST-UHFFFAOYSA-N 332.432 4.341 0 1 EIAF CC/C=C\C/C=C\C[C@H](O)[C@@H](/C=C/[C@@H]1C/C=C/CCCC(=O)O1)OC 169371079 QXHLHGKKWDCOOY-FOZJMMAYSA-N 348.483 4.263 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C=C4OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]12 299835677 MKJJWVLPTZDSTH-PCKVVBOYSA-N 344.451 4.015 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586893530 ZXRRWKWYHHRKIN-YGRLFVJLSA-N 335.329 4.122 0 1 EIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(O)c2[nH]1 586997218 VNKTXPGSPYCQBA-UHFFFAOYSA-N 347.212 4.345 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cs1 587020566 BSJNJOGIZHGENS-UHFFFAOYSA-N 328.347 4.044 0 1 EIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587148879 DNFFVVGCUSNXHE-JTQLQIEISA-N 346.333 4.142 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(C(F)(F)F)cc31)O2 587382903 PLRCLWIVXCMRHG-GOSISDBHSA-N 347.336 4.403 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccnc3)c1C)O2 587391783 YWOWMMRDIRZYAZ-FQEVSTJZSA-N 347.418 4.086 0 1 EIAF COc1ccccc1[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398705 HBAQNVHFPJQRTO-OAQYLSRUSA-N 339.435 4.493 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(CCCCF)c1)[C@@H](C2)C3=O 587422998 HOXZMQCYADDIJT-UWJYYQICSA-N 340.394 4.476 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H]2CC[C@@]1(C)C2(C)C 587477473 CIJKNGPYQGDDKI-WVFSVQOHSA-N 342.435 4.074 0 1 EIAF Cc1cc(C(=O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587504400 JGNQONGYWSJZMR-LJQANCHMSA-N 338.378 4.230 0 1 EIAF CCCCC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813866 QEQQFYSMWFDNJW-QLJPJBMISA-N 342.252 4.097 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccnc1 587865924 PJMQXPYZCIKBCZ-UHFFFAOYSA-N 333.313 4.352 0 1 EIAF CC(=O)OC(C)(C)CC[C@H]1NCCc2c(Cl)cc(Cl)cc21 963115988 BMQIKZMGZHFUNK-OAHLLOKOSA-N 330.255 4.302 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@]21CCCCc2ccccc21 963270284 OCUQAZZOHDHKDP-FQEVSTJZSA-N 327.855 4.464 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)OC3=C[C@H]12 2356543710 RXSCXEUVYFNQRS-WJBZZZKMSA-N 330.424 4.078 0 1 EIAF Cc1ccc2[nH]c(=O)c3cc(C(=O)NC4CCCCC4)sc3c2c1 269901 GRRVPKPOOUBYGW-UHFFFAOYSA-N 340.448 4.114 0 1 EIAF C[C@H]1CCC[C@@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1 28360324 GEQKTSPOTKEYOG-MUBJNLQQSA-N 331.500 4.077 0 1 EIAF C[n+]1c(-c2ccccc2)nn(Cc2ccccc2)c1-c1ccccc1 58541038 YWLLBSHSDLRIDR-UHFFFAOYSA-N 326.423 4.090 0 1 EIAF CCOc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1 71295693 MJOCJDMQRCJQJF-UHFFFAOYSA-N 347.422 4.208 0 1 EIAF in-vitro c1ccc(CNc2nc(NCc3ccccc3)c3cccnc3n2)cc1 72184041 LAVYSBHWXBVTCC-UHFFFAOYSA-N 341.418 4.249 0 1 EIAF CCOc1ccccc1-c1nc(CN(CC)Cc2ccncc2)co1 72186159 XJJPSFODTMFLNW-UHFFFAOYSA-N 337.423 4.157 0 1 EIAF CC(=O)OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 253632591 AUASRRWSKHUBGZ-KHBFQRGHSA-N 347.458 4.269 0 1 EIAF Cc1ccc2c3c(cc(Cc4ncccn4)nc13)-c1ccccc1C2=O 587097269 MTNRFTVKLFSXOC-UHFFFAOYSA-N 337.382 4.135 0 1 EIAF CC[C@@H](Oc1ccccc1F)c1nc2cccc(C(=O)OC)c2[nH]1 587154209 AEIILAMELULEEQ-CQSZACIVSA-N 328.343 4.019 0 1 EIAF COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)nn1-c1ccccc1F 587156840 SRDVHXHNSJVYNB-UHFFFAOYSA-N 340.333 4.011 0 1 EIAF O=C1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2C1 587207521 MJERUOCEBJQSIP-ZBEGNZNMSA-N 325.367 4.065 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(-c3ccccc3)oc1C)O2 587394011 PLOPALVGLQWLNY-NRFANRHFSA-N 348.402 4.421 0 1 EIAF C[C@H]1CCCCN1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517570 PUFKECPFNPUVCJ-BTYIYWSLSA-N 327.468 4.164 0 1 EIAF O=C1C[C@@H](CCc2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1 587536753 WEZJVQACDJFRJD-GOSISDBHSA-N 348.442 4.467 0 1 EIAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Oc2ccccc2)cc1 587562083 XZPVWELJMUXDIO-UHFFFAOYSA-N 345.358 4.204 0 1 EIAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587772376 VGIZNLRDJYEDPB-QGHHPUGFSA-N 349.247 4.224 0 1 EIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587789007 BHPJOONQFONAKV-ZKANADHPSA-N 337.236 4.157 0 1 EIAF CCSCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587841951 CRNNBGUPJNSCCQ-OTYXRUKQSA-N 332.282 4.307 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4nc(C)ccc4[nH]3)cc2)c1 587930450 IIZAWIIUCUMBJM-UHFFFAOYSA-N 343.386 4.173 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cc(C)c4[nH]1)(C3)C2 587951040 QOTWRKRLSQLIPJ-XBLGPDGASA-N 338.451 4.333 0 1 EIAF CCc1cc2cc([C@H]3NCCc4c(OC)ccc(Cl)c43)cnc2[nH]1 963257638 MBAKLOHAZUHQBM-GOSISDBHSA-N 341.842 4.022 0 1 EIAF CCCCOc1cccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccccc2)c1 1772640945 JLLCZBNCMTYGGB-PZJWPPBQSA-N 338.447 4.440 0 1 EIAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]24CNC(C)=C2CC[C@H]34)C1 2356739731 YDHWVBOTXSGPIM-FWPVJNDUSA-N 328.544 4.474 0 1 EIAF COc1ccccc1-c1c[nH]c([C@@H](O)c2cc(Cl)cc(Cl)c2)n1 61905704 HFUGTBVUFJILEP-INIZCTEOSA-N 349.217 4.474 0 3 EIAF O=C1c2cc3c(cc2C[C@@]12Cc1ccc4c(c1C2=O)CCC4)CCCC3 1855713 ZHIALTHOBMPSQK-DEOSSOPVSA-N 342.438 4.218 0 1 EIAF CCN(CC)C(=O)[C@@H]1CCCN(C2CCC(c3ccccc3)CC2)C1 5092833 NLQFUFFHJJDLDB-NYLDSWQDSA-N 342.527 4.293 0 1 EIAF c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 5773830 HCHXYHWGEIGZPZ-UHFFFAOYSA-N 348.431 4.274 0 1 EIAF CCc1c(C(=O)O)ccc2c1CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13399928 VZKBBWPWZMINDQ-PWIZWCRZSA-N 330.424 4.042 0 1 EIAF biogenic Cc1ccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc1 13492452 LAXPDJAVTMZKAQ-HNNXBMFYSA-N 339.247 4.475 0 1 EIAF CC1(C)C[C@@H](NC(=O)NCc2ccccc2)c2cc(Cl)ccc2O1 13608289 BTLAYFGMHXAALT-MRXNPFEDSA-N 344.842 4.442 0 1 EIAF Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnc2)s1 14952139 WCBCZRZYPOPLAQ-UHFFFAOYSA-N 344.827 4.496 0 1 EIAF CCOC(=O)c1cc(C(C)(C)C)[nH]c1NC(=O)Nc1ccc(C)cc1 26664705 MZIMPCQXBPYKIB-UHFFFAOYSA-N 343.427 4.441 0 1 EIAF COc1ccc(-c2nc3c4ccccc4ccc3n2[C@H](C)CO)cc1 27656661 LKZSQHXOHSVDKD-CQSZACIVSA-N 332.403 4.418 0 1 EIAF CC(C)c1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccccc2F)cc1 28769768 AATKXXQGCCDEFN-KZIRBZLESA-N 327.399 4.183 0 1 EIAF C[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)c(Cl)c1 28971579 GQRJTYJYJFZKMB-QMMMGPOBSA-N 349.221 4.241 0 1 EIAF CCCCC/C=C/C/C=C/C/C=C/C[C@@H](O)[C@@H](O)CCCC(=O)O 33822363 GFNYAPAJUNPMGH-XWJXUNAMSA-N 338.488 4.382 0 1 EIAF CCOC(=O)c1c(-c2ccccc2)nc(C)c(C(=O)SCC)c1C 34800789 CAQLAHJGXUAPFT-UHFFFAOYSA-N 343.448 4.435 0 1 EIAF CCOc1ccc(-c2cncc(C(=O)Nc3cc(C)cc(C)c3)n2)cc1 64390522 KFGUDEORIBZTGM-UHFFFAOYSA-N 347.418 4.411 0 1 EIAF O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1O 95594936 ZMKVVVHJJGJAPF-UHFFFAOYSA-N 333.668 4.456 0 1 EIAF Cc1oncc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 116814643 PQLVURUMENIMBB-UHFFFAOYSA-N 348.406 4.176 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@@H]1N2C 167901400 LFJPCUHETVUFNZ-ZMMAXQRCSA-N 341.476 4.154 0 1 EIAF O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cc2ccccc2)on1 208074736 NLQHYBIEXKDNKY-UHFFFAOYSA-N 330.746 4.310 0 1 EIAF CN(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2Br)C1 299853739 PCFDQUUPZHZBEJ-WMLDXEAASA-N 330.269 4.457 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586893529 ZXRRWKWYHHRKIN-QMTHXVAHSA-N 335.329 4.122 0 1 EIAF Cc1nc(Br)sc1-c1nc2cc(F)cc(F)c2[nH]1 587012352 WPFGRCXHAKYEGY-UHFFFAOYSA-N 330.157 4.036 0 1 EIAF COc1cc(OC)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587024092 VHDICXSYEAPGEP-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF COc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Cl 587058671 YMOGAFBVSYFMRY-LBPRGKRZSA-N 336.222 4.121 0 1 EIAF COc1cncc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc12 587066741 QYXFODYZLHAREN-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(=O)C(F)F)CC3 587104520 XYFQWJOQNAIHBE-CQSZACIVSA-N 349.336 4.310 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)ccnc3[nH]2)c1 587162593 XJAYYNPQKKYDHP-MNOVXSKESA-N 332.176 4.131 0 1 EIAF Fc1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 587167973 BPKFOTFUKPXEOS-UHFFFAOYSA-N 339.139 4.183 0 1 EIAF COc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587227490 YCYHJTDGWRSRGH-MRXNPFEDSA-N 345.443 4.328 0 1 EIAF COc1cccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232197 NQWXDSYFJNWJOP-UHFFFAOYSA-N 333.391 4.121 0 1 EIAF Nc1cccc(O)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587249013 ABVFRPKLADZTGR-UHFFFAOYSA-N 325.315 4.130 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(C(C)C)c1C)[C@@H](C2)C3=O 587431319 NRNFICAVTHHHFU-OXJNMPFZSA-N 325.408 4.183 0 1 EIAF CC[C@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448677 BATTUGWXIPNSKG-DIFFPNOSSA-N 334.824 4.463 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1)CC2=O 587475656 BTMREPSNUZMOAH-FQEVSTJZSA-N 326.392 4.234 0 1 EIAF COc1ccnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502277 UQJJICMJGZAOQF-MRXNPFEDSA-N 343.810 4.329 0 1 EIAF CCc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587774743 XGDLJQPJKJZSPQ-DYZYQPBXSA-N 349.247 4.169 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccs2)N1 587847949 NBFYHYRWGJDYFV-VFZGTOFNSA-N 340.261 4.447 0 1 EIAF COc1ccc(CCCc2nc3ccc(SC)cc3[nH]2)cc1OC 587924696 BGPLFMMIYVVVLC-UHFFFAOYSA-N 342.464 4.477 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 587952989 YSFMUVOQDMORLK-QEORTHHSSA-N 330.428 4.396 0 1 EIAF Clc1ncc2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 587955628 JZVPSFIKEQQJCH-OAHLLOKOSA-N 334.810 4.333 0 1 EIAF Cc1c2ccc(Nc3ccnc(Nc4ccc(F)cc4)n3)cc2nn1C 653873791 LVOMEPYUKJCUME-UHFFFAOYSA-N 348.385 4.298 0 1 EIAF COc1ccc2c(c1)[C@]1(CC[C@@H](C(=O)O)C(C)(C)C1)N(C(C)C)CC2 962089734 HTBBSLRSJOHPEG-LAUBAEHRSA-N 345.483 4.068 0 1 EIAF Nc1nc2cc([C@H]3NCCc4cc(-c5ccccc5)ccc43)ccc2o1 962661161 JDYXREORJUPCOY-OAQYLSRUSA-N 341.414 4.312 0 1 EIAF Nc1nccc(-c2c[nH]c3ncc(-c4cc5ccccc5s4)cc23)n1 1772646471 AJQWHEHMQASSNJ-UHFFFAOYSA-N 343.415 4.484 0 1 EIAF COc1cc(OC)c2c(c1)C(=O)C[C@@H]2c1ccc(Br)cc1 1857639301 FAYOFXNWMMQLMG-CYBMUJFWSA-N 347.208 4.185 0 1 EIAF COc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2C)ccc1F 12474353 MEJIMEZUTJVUFR-UHFFFAOYSA-N 327.311 4.193 0 3 EIAF CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 775452 GDEKHRWNTILODG-UHFFFAOYSA-N 328.343 4.127 0 1 EIAF CC1=C(CCN(CCCN(C)C)CCCN(C)C)C(C)(C)CCC1 2494731 SITDYBQXNOOFNG-UHFFFAOYSA-N 337.596 4.109 0 1 EIAF CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1OC 13451172 SVIQPMPODOCGRY-UHFFFAOYSA-N 338.407 4.134 0 1 EIAF COc1ccc2c(c1)CCC=C2c1cc(OC)c(OC)c(OC)c1 33993437 AJLOACGRKIDXFU-UHFFFAOYSA-N 326.392 4.099 0 1 EIAF COc1ccccc1-c1cc(F)cc(C(=O)Nc2cccc(C)n2)c1 40394774 HAZOEYGUJUIUQW-UHFFFAOYSA-N 336.366 4.457 0 1 EIAF Fc1cccc(F)c1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 72107016 HMZKMRJTAHQVIW-LSDHHAIUSA-N 346.768 4.356 0 1 EIAF CCCCCCOC(=O)Nc1nnc(-c2ccc(C(=O)O)cc2)s1 84739228 MHBQGLYARABAQE-UHFFFAOYSA-N 349.412 4.032 0 1 EIAF CCCC[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2C1=O 100759943 ZXGWWXJIFKCRNZ-MRXNPFEDSA-N 347.418 4.030 0 1 EIAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]21C=C3C 100778187 OFNWUWHDGCNABD-FSCQIMEVSA-N 346.511 4.489 0 1 EIAF endogenous,in-man OC1=C2C(=Nc3ccnn3[C@H]2c2cccc(Br)c2)CCC1 100790289 BGERXPZPGRPROH-INIZCTEOSA-N 344.212 4.317 0 1 EIAF S=C1COc2ccccc2CN1c1ccc(Br)cc1 103205941 MRQQMBIAIHMYMZ-UHFFFAOYSA-N 334.238 4.176 0 1 EIAF CCCC(=O)/N=c1\sc(C)cn1-c1cccc(C(F)(F)F)c1 103272354 XTDZVBLKCSAMJT-RGEXLXHISA-N 328.359 4.093 0 1 EIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1Cl 104060182 ZEFSWGOUHOBLSU-VZHUHSAUSA-N 346.818 4.213 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@H](OCCCN1CCCC1)CC2 169322579 NELRZOQHUGTUOV-FQEVSTJZSA-N 340.467 4.448 0 1 EIAF CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)C(C)C 169349631 JFMQKNRLLLLFTG-UHFFFAOYSA-N 331.437 4.403 0 1 EIAF C[C@@H]1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 169708924 LPALECKBLVYOGR-KZULUSFZSA-N 333.353 4.311 0 1 EIAF CC1=Nc2[nH]ncc2[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(F)cc1 169724249 AKKHFLXIVNXGTD-MSOLQXFVSA-N 348.381 4.042 0 1 EIAF Fc1cccc(-c2c(Cl)cnc3[nH]c([C@H]4CCCNC4)cc23)c1 226065049 YQEIUGMWSSGWAY-LBPRGKRZSA-N 329.806 4.489 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238732740 UBSPYRWVKFNYNH-VHZJELHWSA-N 330.424 4.028 0 1 EIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(O)c3[nH]2)c1 587048585 KFCPXBMUPIWOMN-UHFFFAOYSA-N 329.787 4.183 0 1 EIAF Nc1ccc(F)c(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587140927 JNNCIFDVTQAGKH-UHFFFAOYSA-N 327.256 4.033 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587175858 JAGNPBXTSHPKHT-UHFFFAOYSA-N 331.565 4.043 0 1 EIAF Cc1c(F)ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587233365 NBOQEGIKBHQMKT-WCQYABFASA-N 333.407 4.171 0 1 EIAF CO[C@H](C)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398543 FDNAGRSHGYABFG-XCLFUZPHSA-N 325.408 4.165 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](OC)c1ccccc1)CC2=O 587477362 BXONOHXSMWCXNX-NHCUHLMSSA-N 340.419 4.456 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)nc1C)CC2=O 587489669 VKLQQWYTSFTYTR-FQEVSTJZSA-N 325.408 4.237 0 1 EIAF FC(F)(F)c1cnc2[nH]c(COC/C=C\c3ccccc3)nc2c1 587780900 LJKBDQJJBPENMU-DAXSKMNVSA-N 333.313 4.207 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(F)cc(F)c1OC 587870524 BHANIPGMFUWTNY-UHFFFAOYSA-N 348.324 4.364 0 1 EIAF Cc1ccc(-c2csc(CCNC(=O)OC(C)(C)C)n2)cc1C 587920202 FAXZMAWRPZZNDK-UHFFFAOYSA-N 332.469 4.494 0 1 EIAF S=C(NC1C2CC3CC(C2)CC1C3)NC12CC3CC(CC(C3)C1)C2 1857637438 FEFPWWTVIIXEIY-UHFFFAOYSA-N 344.568 4.244 0 1 EIAF C[C@@H]1OC(=O)C2=C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@H](C)N3C)[C@@H]21 2356647116 BQYBRRZKGRWUCZ-KVYFAMGZSA-N 343.511 4.340 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cocc3C(=O)C[C@@H]12 2356790078 FBTVMHKPTOSTHZ-UFHDJZAFSA-N 330.424 4.431 0 1 EIAF COC(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2 3955803 HHFGMIVHDRUHNC-UHFFFAOYSA-N 336.435 4.022 0 1 EIAF Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1 13808833 QGCUYXCPMZGMFQ-UHFFFAOYSA-N 347.809 4.408 0 1 EIAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C(F)(F)F)cc1 35996102 HHBHAJJFIBUNBJ-UHFFFAOYSA-N 348.324 4.039 0 1 EIAF O=S(=O)(Nc1ccc2ccccc2c1)c1cc(Cl)ccc1F 64454558 KEKZRBCKVZUAJY-UHFFFAOYSA-N 335.787 4.433 0 1 EIAF CCCCC[C@@H](C)NCc1coc(-c2cc(C(C)=O)ccc2O)n1 72185259 KRBOCGLSNOBVGP-CYBMUJFWSA-N 330.428 4.308 0 1 EIAF COc1cccc(/N=c2/[nH]ccc3[nH]c(-c4cccc(C)c4)nc23)c1 74386253 BUIKAJJIZPVTJO-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF COc1ccc([C@@H]2CC(c3ccccc3)=Cc3n[nH]c(O)c32)cc1OC 103169572 PYHNFNNRLIMZOF-INIZCTEOSA-N 348.402 4.209 0 1 EIAF O=C(CCc1ccc(Cl)cc1)Nc1ccc([C@@H]2CCCNC2)cc1 117726835 VIYJRKFUMOHQLD-QGZVFWFLSA-N 342.870 4.378 0 1 EIAF Cc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1C 169340326 DPOCGLVTVQYWBQ-UHFFFAOYSA-N 336.420 4.318 0 1 EIAF CC(C)[C@H](CO)NCc1nc(-c2ccc3sccc3c2)ccc1F 204412523 YRSPDFUIYYMQFF-SFHVURJKSA-N 344.455 4.209 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586883728 LBOVBQQEVOPFOC-SAXDKJOGSA-N 344.842 4.471 0 1 EIAF Cc1cc2c(Br)ccc(-c3nc4c(N)ccnc4[nH]3)c2o1 587003344 IUAMVQHBYZNABV-UHFFFAOYSA-N 343.184 4.024 0 1 EIAF Cc1nc(C)c(Cc2nc3cc(C)c(Br)cc3[nH]2)s1 587013044 WDXBGOCXDRYGAF-UHFFFAOYSA-N 336.258 4.298 0 1 EIAF Cc1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 587024008 ZACIQORVOSOACQ-UHFFFAOYSA-N 328.622 4.411 0 1 EIAF CO[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099353 FSPRDILWZRYCFF-CYBMUJFWSA-N 329.399 4.258 0 1 EIAF Nc1ccnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587123596 DXWFKKGLUUTIFD-ZZXKWVIFSA-N 336.342 4.322 0 1 EIAF CC(C)Oc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br 587258012 TWMGMWGHFFRVRT-CYBMUJFWSA-N 340.265 4.159 0 1 EIAF CC1(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357536 UWYRITCLSZKOPG-YLJYHZDGSA-N 326.367 4.449 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(C(C)(C)C)CC2=O 587471103 ZENMSWXUJQJHLO-ZCPJJFRWSA-N 331.456 4.170 0 1 EIAF O=C1C[C@@H](c2cccn2-c2ccccn2)Oc2c1ccc1c2CCCC1 587514589 ZXQLMTGYACUOCR-FQEVSTJZSA-N 344.414 4.458 0 1 EIAF CCC1(CC)[C@@H](OC)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522623 JNSHQXLTOHMILH-GHTZIAJQSA-N 328.452 4.495 0 1 EIAF COC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523509 JPBWIVUKGDLQLU-BTYIYWSLSA-N 342.435 4.023 0 1 EIAF O=C(O)c1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529007 HRHKVCYSYZKSSV-JOCHJYFZSA-N 348.398 4.071 0 1 EIAF O=C(O)/C=C/c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529599 PXUPAQNHOYYFPG-BESKYLIDSA-N 348.398 4.370 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccncc2)N1 587779946 WXNLWARFUOVPKU-LUEOGGAPSA-N 347.231 4.272 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@H]2CCCO2)N1 587830351 DXDHDKMSCKHGNH-NSODJVPESA-N 342.252 4.123 0 1 EIAF Oc1ncnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587950551 RUPRLRXAPGAVNQ-ZHACJKMWSA-N 330.347 4.021 0 1 EIAF C[C@]1([C@H](O)c2cccc(Cl)c2)c2c(F)cccc2C[C@H]2CCCN21 963117583 XCEFZYLJSFJEES-NSISKUIASA-N 345.845 4.448 0 1 EIAF CN=c1nc(-c2sc(-c3ccc(C(C)(C)C)cc3)nc2C)cc[nH]1 1857767069 KYSJOUQIFMDCOT-UHFFFAOYSA-N 338.480 4.337 0 1 EIAF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)(CC(=O)O1)C2 2356846223 OLJRAFPOAGIZKX-LMYCGTSZSA-N 334.456 4.170 0 1 EIAF CCCc1c(OC(C)(C)C(=O)O)ccc2c(C(F)(F)F)noc12 12358566 JYSPMAJXLWXDMZ-UHFFFAOYSA-N 331.290 4.041 0 1 EIAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNCCc1ccccc1)O2 13651347 YWBRJQBAZAOYNP-JOCHJYFZSA-N 339.479 4.233 0 1 EIAF Cc1cccc(/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)n1 13673187 ZMFUPPRTLMBMMF-VVZPFDPASA-N 325.452 4.407 0 1 EIAF C[C@@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O 29206749 YLCLGDNMRKSMDS-WTBVKXDRSA-N 347.283 4.046 0 1 EIAF CC(C)Oc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 35013121 AOHJXXIVPFBPJN-OAQYLSRUSA-N 344.451 4.242 0 1 EIAF CCS(=O)(=O)c1ccc2oc(-c3cccc(Cl)c3F)nc2c1 71317500 UUXZALGPUWDSKR-UHFFFAOYSA-N 339.775 4.081 0 1 EIAF COc1ccc(OC)c(CNc2cc3c(cn2)[nH]c2ccccc23)c1 72176778 GZKMDKUTHBUZPZ-UHFFFAOYSA-N 333.391 4.345 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cc(F)ccc1F 72184461 NFDQUPNZDLRYFK-SFHVURJKSA-N 331.749 4.297 0 1 EIAF Cc1cccc(-c2nc(Cn3cc(Cl)c(=O)c(Cl)c3)co2)c1 72186561 KZOPAUQFWJCAGD-UHFFFAOYSA-N 335.190 4.167 0 1 EIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CC3)oc12 73161848 IELJQUDZLQUQEX-UHFFFAOYSA-N 330.771 4.215 0 1 EIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1CCc1ccccc1 103270564 FESLIGOBQLHOGH-QGZVFWFLSA-N 339.435 4.000 0 1 EIAF Cn1nc(-c2ccccc2Cl)c2c3cc(F)cc(F)c3nnc21 146538439 JMVKQPJFAFIGHI-UHFFFAOYSA-N 330.725 4.115 0 1 EIAF CCCc1nc(-c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)no1 167390340 FNUIEWRNKVFREM-UHFFFAOYSA-N 348.406 4.237 0 1 EIAF CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 169323455 YUEVEZWXYBGVTF-MQQMTOAZSA-N 345.527 4.301 0 1 EIAF COc1ccccc1N1C(=O)CS[C@@H]1c1ccc2ccccc2n1 169342653 MLVSGQZFPPMGMJ-LJQANCHMSA-N 336.416 4.022 0 1 EIAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O 169720231 LMJBWKNSUUFNQH-WLRWDXFRSA-N 346.398 4.412 0 1 EIAF Fc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995266 IPPBZGIAMDJOGP-UHFFFAOYSA-N 334.192 4.119 0 1 EIAF CCc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587003772 NYAFHIBSNWLDDX-UHFFFAOYSA-N 341.212 4.431 0 1 EIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)ncc3[nH]2)cs1 587021607 OFYBNRPCQGKLPM-UHFFFAOYSA-N 349.341 4.404 0 1 EIAF NC(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053338 CQXVHUVDRMCAEQ-FNORWQNLSA-N 332.190 4.139 0 1 EIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(F)cc2[nH]1 587075509 FXVZZACFXKHDHL-UHFFFAOYSA-N 340.745 4.185 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1O)CC2=O 587463505 XTZUPVKYDNGRDO-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF O=C(O)c1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531061 JCRJVXKZTLSJLE-HNNXBMFYSA-N 328.389 4.032 0 1 EIAF O=C1C[C@H](c2nc3c(s2)CCC3)Oc2c1ccc1c2CCCC1 587535634 NBFKENSTXZOSBD-MRXNPFEDSA-N 325.433 4.217 0 1 EIAF CC(C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576447 JBENCVKYRZIMPL-NQIIRXRSSA-N 349.386 4.478 0 1 EIAF Cc1cccnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774780 XRARTZCFTBMQMA-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccs2)N1 587853750 RIILWTAIYCOUAR-RTHLEPHNSA-N 326.234 4.273 0 1 EIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@@H]1C 587865936 PWMNIODOSILONO-GXFFZTMASA-N 338.329 4.264 0 1 EIAF CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1Cc1ccccc1 653796432 STTATFMFIVCLQE-UHFFFAOYSA-N 333.431 4.468 0 1 EIAF CC[C@]1(c2cccc(C(F)(F)F)c2F)NCCc2ccc(O)cc21 963328134 CLJUBYKPJOLLKV-QGZVFWFLSA-N 339.332 4.349 0 1 EIAF COC(=O)C1=CC=C[C@@H]2[C@](O)(CC[C@H](C)[C@]2(C)CCc2ccoc2)C1 2356644248 YNSMEBFHPSTPJP-HGWQEYRNSA-N 344.451 4.055 0 1 EIAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)c1 61898570 KVHLGMDBKLKHFV-UHFFFAOYSA-N 343.386 4.245 0 3 EIAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1ccco1 96018911 AYXCYIUHHRRUEV-KZIRBZLESA-N 343.810 4.369 0 3 EIAF FC(F)(F)c1ccccc1C1=C[C@@H](c2ccccc2)n2ncnc2N1 101723857 WWKOXBDCPRRTSB-INIZCTEOSA-N 342.324 4.353 0 3 EIAF Cc1nc2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nn2c(C)c1C 13585015 SQNHSPUQKLWDKR-UHFFFAOYSA-N 345.402 4.400 0 1 EIAF Cc1ccc2oc(N[C@H](CC3CCCCC3)C3=CN(C)NO3)nc2c1 28010824 LTIGUMVBVNJDSN-MRXNPFEDSA-N 342.443 4.110 0 1 EIAF CC(C)C(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(O)c1 28523899 RWHZJARPZMHJTG-GOSISDBHSA-N 342.826 4.379 0 1 EIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1NCc1ccncc1 28957058 GJNHEQOPSNWTAY-ROUUACIJSA-N 343.858 4.022 0 1 EIAF COc1ccc(CO[C@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1 29206097 BIPGSFPDFZLUIK-OALUTQOASA-N 331.843 4.011 0 1 EIAF C[C@H]1CN(C[C@H](C)c2cccc(C(=O)c3ccccc3)c2)C[C@H](C)O1 150037173 YIAPNVVBPJXYHD-BZSNNMDCSA-N 337.463 4.130 0 1 EIAF C[C@@]12CCCC[C@@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O 169345774 ABDWAQIYMKYCPD-JDNHERCYSA-N 343.206 4.317 0 1 EIAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)n1 169726275 PRMDUKYDGYOIPL-INIZCTEOSA-N 339.395 4.344 0 1 EIAF CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CNC3)c1 205448263 NLUNGLDSYCZLSZ-UHFFFAOYSA-N 344.414 4.133 0 1 EIAF O[C@@H]1C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 586905236 ZWQODFFJXRJNFB-ZWNOBZJWSA-N 347.187 4.034 0 1 EIAF N[C@@H](c1ccsc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587025284 KKAQUMFXKKEQPD-NSHDSACASA-N 347.749 4.225 0 1 EIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccnc3[nH]2)c(F)c1 587144067 FXQSOLHUAWNLTG-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(O)ccc3[nH]2)cc1 587244952 SPYJWKJVTRFWBK-UHFFFAOYSA-N 329.359 4.188 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccnc3O)c1)O2 587393699 KGIMZCXJMLWHKG-IBGZPJMESA-N 346.386 4.051 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCOc3ccccc31)CC2=O 587493729 VMTJCQZIFFDKLX-JLTOFOAXSA-N 338.403 4.245 0 1 EIAF O=C1C[C@]2(CCOc3cccc(F)c32)Oc2c1ccc1c2CCCC1 587501886 AOHMJVPXWXFQKR-NRFANRHFSA-N 338.378 4.348 0 1 EIAF Cn1ncc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587517838 WATXTHYKJVUOID-QFIPXVFZSA-N 346.430 4.333 0 1 EIAF COc1cc(OC)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526989 UECXSKSLTYMBKY-HXUWFJFHSA-N 338.403 4.289 0 1 EIAF COc1ccc(Cl)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C 587649551 PSJXGTRYEWUNMU-UHFFFAOYSA-N 349.839 4.209 0 1 EIAF Cc1cc(C)cc(C[C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728752 FWWWSHLOKMFNDF-ZWKOTPCHSA-N 347.380 4.233 0 1 EIAF Nc1nccc(-c2c[nH]c3ncc(-c4cccc5ccccc45)cc23)n1 1772586003 KMDAPIILFLZFRB-UHFFFAOYSA-N 337.386 4.422 0 1 EIAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccsc1 1857571933 AGSKEAAAJFGKKR-UHFFFAOYSA-N 332.222 4.455 0 1 EIAF COC[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)CC1=O 2356494221 WACMAERIMWMBMZ-JUACPHTLSA-N 348.527 4.222 0 1 EIAF COc1cc2c(cc1C)C(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)CC[C@@]21C 13335309 SAYFFKOYQFYZOH-ZVDOUQERSA-N 344.451 4.216 0 1 EIAF biogenic O=C(CC1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 13729939 LDOQDGKJZFBHAG-UHFFFAOYSA-N 343.417 4.492 0 1 EIAF Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)c(F)c3)cc2n1 13834966 ODGVPIYZXIVBJM-UHFFFAOYSA-N 328.366 4.202 0 1 EIAF COCc1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1 13864631 BUNIQGCOJFAUCF-UHFFFAOYSA-N 348.402 4.500 0 1 EIAF FC(F)(F)c1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 40410385 ZCCJUZIRKRMTMO-UHFFFAOYSA-N 329.285 4.040 0 1 EIAF Cc1csc([C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 72116320 KUJKCGJIUCGPED-HZPDHXFCSA-N 339.291 4.331 0 1 EIAF O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCC[C@@H]3C(F)(F)F 100827275 NRQQDFFSJPVQFQ-QMMMGPOBSA-N 337.219 4.273 0 1 EIAF COC(=O)[C@@H]1[C@H](c2cccc(-c3ccccc3)c2)C[C@H]2CC[C@H]1N2C 100999534 GDTWDHOANPFJQI-PLACYPQZSA-N 335.447 4.093 0 1 EIAF Nc1c2c(nc3nc(-c4ccccc4)cc(C(F)(F)F)c13)CCC2 103202078 TYHRWNPKDSIWRP-UHFFFAOYSA-N 329.325 4.387 0 1 EIAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3cc(C)ccc23)cc1 169311768 IIOBVERSTCVLGU-UHFFFAOYSA-N 344.414 4.436 0 1 EIAF Cc1ccc2cc(-c3cccs3)nc(N3CCCN(C)CC3)c2c1 169353978 IVAXXIFXVBYJLG-UHFFFAOYSA-N 337.492 4.414 0 1 EIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(C(F)(F)F)c2[nH]1 586906717 GVVGOHPRXIGLIV-VIFPVBQESA-N 334.297 4.163 0 1 EIAF CCOC1=C(C)c2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993704 ZEVYQZAMADSQCJ-UHFFFAOYSA-N 343.382 4.475 0 1 EIAF Cc1cc(F)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996118 RSGZTGVGZXUIPT-UHFFFAOYSA-N 348.219 4.428 0 1 EIAF N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl 587058631 YDKZVJWCHLJXBE-MRVPVSSYSA-N 343.711 4.015 0 1 EIAF Clc1cccc(C2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CC2)n1 587084367 KOHRBNQTHOXGJC-UHFFFAOYSA-N 339.613 4.393 0 1 EIAF COC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131725 SGKJVBDKADPAEW-UHFFFAOYSA-N 342.345 4.231 0 1 EIAF COc1c(F)ccc(F)c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587132320 ANDIACZHLVUNRQ-UHFFFAOYSA-N 330.121 4.219 0 1 EIAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Br)nc3[nH]2)c1 587160365 BTFKLHDCOAYTLA-GHMZBOCLSA-N 332.176 4.131 0 1 EIAF COc1cc(Cl)cc(F)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587382647 SWHFFQKOTGLWGM-HNNXBMFYSA-N 335.762 4.085 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccccn1)(C1CCCCC1)[C@@H](C2)C3=O 587435704 IJISNYPXDZOKBE-HTAPYJJXSA-N 349.430 4.313 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O 587451185 PQEPSRXNLNPXTO-AVRDEDQJSA-N 346.382 4.217 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccn1)CC2=O 587458743 BUMXLNYSEIDKBW-GOSISDBHSA-N 331.799 4.274 0 1 EIAF Cc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613920 QCXQRXJEJJNRMU-YJBOKZPZSA-N 338.384 4.465 0 1 EIAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587619784 ZFEDDHAWGVYHFP-FXAWDEMLSA-N 336.343 4.171 0 1 EIAF COc1cccc(C)c1-c1nc2ccc(Br)c(F)c2[nH]1 587786791 MWTPHJNZAHTDIK-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)cc1 587867275 ARDGWEGQPVFOMC-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF CCO/C=C/[C@]1(C(F)(F)F)c2ccc(F)cc2C[C@H]2CCCN21 963097232 FVYOKHDPSVAORU-JNYVMKGUSA-N 329.337 4.154 0 1 EIAF Cc1ccc2oc(Cc3ccc(NCc4ccccn4)cc3)nc2n1 1772633696 RIVUZJVJKWOCPC-UHFFFAOYSA-N 330.391 4.129 0 1 EIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2ccccc2)N1c1ccc2nc[nH]c2c1 1772637508 BAQVUMRXZYSJPC-QKLQHJQFSA-N 327.387 4.009 0 1 EIAF CCC[C@]1(CC(=O)O)OCC[C@H]2c3c(CC)ccc(Cl)c3N[C@H]21 1911578158 VKTVUCGOLRTKFR-JBBXEZCESA-N 337.847 4.214 0 1 EIAF CCCCC[C@H](O)[C@H](O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356388993 CDZGNGSWCSIISG-XUVXKRRUSA-N 348.483 4.164 0 1 EIAF Cc1cc(O)c2c(c1)COC(=O)c1c(ccc3c1OC(C)(C)C=C3)O2 2356631004 MZCAUGGKMHNFAK-UHFFFAOYSA-N 338.359 4.348 0 1 EIAF CCCCC[C@H](O)C=CC=CC[C@H](O)C=CC=CCCCC(=O)O 2356689011 VBQUXWAGWFCNLJ-RBUKOAKNSA-N 336.472 4.158 0 1 EIAF CCCC[C@@H](O)CCCCCC[C@@H](C=CC(=O)O)Nc1ccc[nH]1 2356773160 SDJJYRRYCKOQMA-DLBZAZTESA-N 336.476 4.328 0 1 EIAF N[P@@](=O)(OCCCc1ccccc1)Oc1ccccc1Cl 12466323 SKIJUUGTKPWOQX-OAQYLSRUSA-N 325.732 4.435 0 1 EIAF CC(=O)OCC/C=C/C=C/C=C/CCc1ccc(OC(C)=O)cc1 14503393 XKPOORKVEKDFGM-OKWWDJPNSA-N 328.408 4.166 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@@H](C)C2 14618729 UIXVBRXEFVSERL-BYVOGVQKSA-N 340.419 4.393 0 1 EIAF biogenic COC(=O)C1=C[C@H](O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 15162623 JSKOGQSOLMLOJZ-OYORBOGPSA-N 346.467 4.135 0 1 EIAF biogenic CCC(=CCN1Cc2c(C)ncc3[nH]c(=S)n(c23)C[C@H]1C)CC 27886701 CUZOKYRINGHTIK-GFCCVEGCSA-N 330.501 4.353 0 1 EIAF COc1ccc(C[C@H]2c3c(Cl)cccc3CCN2C)cc1OC 28469798 WPTGMASFGSAOEA-INIZCTEOSA-N 331.843 4.129 0 1 EIAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccccc3)O2)cc1 28768166 CNTTWQOWWZEXEQ-OALUTQOASA-N 340.810 4.178 0 1 EIAF COc1c2c(c(CC=C(C)C)c3oc(=O)ccc13)OC(C)(C)C=C2 32275568 HTYNJHPCHRDBNT-UHFFFAOYSA-N 326.392 4.495 0 1 EIAF biogenic O=C(Nc1ccc(Cl)cc1)c1cccc2nc(C(F)(F)F)[nH]c12 45187481 LMNAVQBKHASWEL-UHFFFAOYSA-N 339.704 4.487 0 1 EIAF CSCSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101616800 WWCOUQDEXRRTEL-MEVLDIJVSA-N 330.515 4.035 0 1 EIAF O=C(Nc1cc2ccc(-c3ccc4cn[nH]c4c3)cc2cn1)C1CC1 169700000 GKCDXLKOEUKFBB-UHFFFAOYSA-N 328.375 4.127 0 1 EIAF COC(=O)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]2CC[C@@H]1C3 238752264 DZNQMARSUVZEMD-VHKGBJFMSA-N 334.500 4.181 0 1 EIAF O=C1CCC[C@H](c2nc3cc(Br)cc(F)c3[nH]2)CC1 586885124 XTTQUXXDRUTFOX-QMMMGPOBSA-N 325.181 4.081 0 1 EIAF COc1cc(/C=C/c2nc3cccc(O)c3[nH]2)ccc1Br 586975753 FQTORMFABJFAMT-SOFGYWHQSA-N 345.196 4.210 0 1 EIAF CCOC(=O)Cc1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587108123 VGHQPNZNYKCYNG-UHFFFAOYSA-N 345.398 4.114 0 1 EIAF CCOc1ccccc1[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 587215035 ZEBYBRAWBBIYRP-GOSISDBHSA-N 343.426 4.379 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1F)CC2=O 587472627 SFSRGRFDCVSTMI-OAHLLOKOSA-N 335.762 4.239 0 1 EIAF O=C1C[C@H](COc2cccc(F)c2)Oc2c1ccc1c2CCCC1 587507181 UUGOZTWDZYLAAS-MRXNPFEDSA-N 326.367 4.117 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c(COc3cc(C)cc(C)c3)nc2c1 587564376 KDUVMDWBKHFHPO-UHFFFAOYSA-N 344.798 4.199 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2F)N1 587727970 QHITWCWDISDESK-CPFSXVBKSA-N 344.224 4.412 0 1 EIAF Oc1nccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784101 LEKXVIIPLYKEEQ-DHZHZOJOSA-N 343.386 4.413 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc32)N1 587820264 ZMVQROZXQMDFHP-ADLMAVQZSA-N 346.243 4.312 0 1 EIAF CSCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847176 SFBGCPLCAKTYEE-LKFCYVNXSA-N 332.282 4.091 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCSC2)N1 587853609 AMWXSKWSUCUVBO-BJOHPYRUSA-N 342.277 4.227 0 1 EIAF COc1ccc(OC(C)(C)C)n1-c1c(N)cccc1Br 587935553 BSMCHCGHIZZBCU-UHFFFAOYSA-N 339.233 4.008 0 1 EIAF Cc1c([C@H]2NCCc3nc4ccccn4c32)[nH]c2c(Cl)cccc12 962989533 RFTLBDMDDPZKDJ-GOSISDBHSA-N 336.826 4.013 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(C(=O)OC)cs1 963244352 WDNINBJGXJFEPH-SCLBCKFNSA-N 329.465 4.281 0 1 EIAF Cn1c(C(=O)Nc2cccc(Br)c2)cc2sccc21 1772571788 DXAZPQWQIMYZIN-UHFFFAOYSA-N 335.226 4.255 0 1 EIAF c1ccc([C@@H](OCCc2cnc[nH]2)c2nc3ccccc3s2)cc1 1772574488 PZRKTILCIYJGGD-GOSISDBHSA-N 335.432 4.368 0 1 EIAF COc1cc(OC)cc(-c2nc3cc(OC)ccc3c3cc[nH]c23)c1 1857750314 SUELGBGGTILWGB-UHFFFAOYSA-N 334.375 4.409 0 1 EIAF CC1(C)C[C@H](NC(=S)NCc2ccccc2)c2cc(F)ccc2O1 13608345 BFDJNFIUFOYSPC-INIZCTEOSA-N 344.455 4.092 0 1 EIAF COc1ccc([C@@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c(O)c1 14613167 DRIPWQOGMJYOPU-HNNXBMFYSA-N 338.403 4.304 0 1 EIAF endogenous,in-man Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCNCC3)c2c1 26400975 NJUMMJUUDUYSKB-UHFFFAOYSA-N 330.435 4.282 0 1 EIAF CCCOC(=O)NCCc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 28891180 JLQFXZBEZFLRLG-UHFFFAOYSA-N 349.434 4.422 0 1 EIAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccccc32)CC1(C)C 36237972 XUGAKTCCCDRKAF-NHCUHLMSSA-N 338.470 4.428 0 1 EIAF COc1cccc([C@H](C)NC(=O)c2ccc(-c3ccncc3)s2)c1 38208316 SJLQDZDKTVBBLP-ZDUSSCGKSA-N 338.432 4.310 0 1 EIAF Clc1nc2nonc2nc1N(Cc1ccccc1)c1ccccc1 38985690 WUMQIRPXKLUARY-UHFFFAOYSA-N 337.770 4.005 0 1 EIAF Cc1csc(NCSCSCNc2nc(C)cs2)n1 82052603 WWFMPCOMIUKFQP-UHFFFAOYSA-N 332.545 4.079 0 1 EIAF CC[C@@H](C)c1cc([C@@H](O)C(F)(F)F)cc(Br)c1O 84688426 YUXYLDKDKHCOSN-KSBSHMNSSA-N 327.140 4.264 0 1 EIAF CCCCCC[C@@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 101046529 YKJNNNVZUUQNHM-OALUTQOASA-N 349.858 4.454 0 1 EIAF Fc1cc(Cl)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043451 ZOTCGEWHUBXEFW-HUUCEWRRSA-N 347.846 4.302 0 1 EIAF CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3OC)[nH]c2c1 587066583 NUWSGRVTELUAGX-UHFFFAOYSA-N 330.771 4.069 0 1 EIAF Cc1cnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587076968 OHGDHNWATWNXSM-INIZCTEOSA-N 326.831 4.257 0 1 EIAF Clc1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cn1 587086220 XQHXJFHECLSHND-UHFFFAOYSA-N 336.782 4.252 0 1 EIAF COc1ccc(-c2nc3cncc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095739 SSCIRQNLCHCRML-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccco1)[C@@H](C2)C3=O 587456974 YSELGLIQMYQFTR-HTAPYJJXSA-N 346.382 4.288 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@@H]1CCOC1)CC2=O 587486711 MKGSUFUWTJILCT-SOIKWTOOSA-N 344.451 4.275 0 1 EIAF O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532787 SPWVDADKINSIMJ-CQSZACIVSA-N 328.389 4.032 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600352 AVXORLYZTUIWGT-WIYYLYMNSA-N 332.355 4.404 0 1 EIAF CCSCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587845067 MODAWDABWJDJAV-CABZTGNLSA-N 332.282 4.307 0 1 EIAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1ccc(F)cc1 653845327 KAPZXICQYPHIAN-NRFANRHFSA-N 347.393 4.314 0 1 EIAF COc1ccc(-c2cc3ncnc(SCC(C)=O)c3s2)cc1 958064391 PYQJOUXWRMYSKY-UHFFFAOYSA-N 330.434 4.048 0 1 EIAF COc1ccc(-c2ccccc2)cc1[C@H](CC(=O)O)c1nccs1 1772592749 XCVOODISXBRLGP-INIZCTEOSA-N 339.416 4.425 0 1 EIAF Nc1ncccc1-c1cc(Cc2ccc(Cc3ccc(F)o3)cc2)no1 1857592257 GZFVUJOBZSRRIV-UHFFFAOYSA-N 349.365 4.233 0 1 EIAF CC(C)c1cc2c(cc1O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2=O 2356397608 GHBDGQQTWLVNLP-YZGWKJHDSA-N 330.424 4.251 0 1 EIAF CC[C@H](C)C[C@H](C)C=CCC[C@@H](N)[C@@H](Cc1ccc(O)cc1)NC 2356718853 IBEFHERIICGKCU-XWDORNJCSA-N 332.532 4.259 0 1 EIAF COc1ccc([C@@H](O)c2nc(-c3cccc4cccnc34)cs2)cc1 61906619 MVUYZJWJCGFZQA-LJQANCHMSA-N 348.427 4.449 0 3 EIAF O=C1N=CC=C/C1=C1/Nc2ccccc2N1Cc1ccc(Cl)cc1 104021073 KTMUDDKSTCZZAV-OBGWFSINSA-N 335.794 4.151 0 3 EIAF Cc1cccc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1C 3188991 ZMGKZGZWJKHUAV-UHFFFAOYSA-N 329.240 4.275 0 1 EIAF biogenic O=C(Nc1ccc(NC(=S)Nc2ccccc2)cc1)c1ccco1 3607105 WBBGZIDRERLKGM-UHFFFAOYSA-N 337.404 4.341 0 1 EIAF COC(=O)C(=O)CCCCCOc1ccc(-c2ccccc2)cc1 13553314 VFRCRJVXJIJVMW-UHFFFAOYSA-N 326.392 4.035 0 1 EIAF COc1cc(C[C@H](C)N)c(OC)cc1CCCCc1ccccc1 13809602 WFHQKLDPRBJNSJ-INIZCTEOSA-N 327.468 4.159 0 1 EIAF CC1(C)[C@H]2CC=C(CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1C2 19634065 MRZMGCXEFDKVJF-HMUBQBSKSA-N 336.523 4.310 0 1 EIAF C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CCC(=O)O1 26482003 BEUOVAGPYSYPLV-JYAXBFRTSA-N 326.436 4.268 0 1 EIAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)c1 27625582 BNYXQQIYBRPSAZ-MRXNPFEDSA-N 336.819 4.270 0 1 EIAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)cnc3c2)cc1 28863732 MIXMCGJQCYVDFA-IZZDOVSWSA-N 348.402 4.137 0 1 EIAF O=C1CCc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc21 34891451 NAEIUOBSMUYCRY-UHFFFAOYSA-N 342.358 4.157 0 1 EIAF COc1cc(/C=C/Cc2cc(O)c3ccoc3c2)cc(OC)c1OC 38143424 MAAOZQJDAZSONY-GQCTYLIASA-N 340.375 4.420 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3 45373361 NQZVMGVMAPPTFX-IIDSPLMYSA-N 334.500 4.323 0 1 EIAF CO[C@H](C(=O)SC)c1cccc(COc2cc(C)ccc2C)c1 103177343 DYRARXSVLVMLKZ-SFHVURJKSA-N 330.449 4.460 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC2CCCC2)N3C)cc1 194849557 PSQGGMTYCHMOPL-AFYVEPGGSA-N 327.468 4.047 0 1 EIAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Cc1ccccc1 474609356 QAMQWBGVNDUKNK-UHFFFAOYSA-N 333.435 4.443 0 1 EIAF OCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCO3 586894550 LGHTWDHSZHRFQO-UHFFFAOYSA-N 332.444 4.337 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587066526 DJBMRWHAUXUYJE-UHFFFAOYSA-N 341.777 4.250 0 1 EIAF CCOC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098169 PVOCNESNYDCXPE-UHFFFAOYSA-N 345.398 4.169 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587134706 WAVILQNAGMDUED-UHFFFAOYSA-N 332.203 4.372 0 1 EIAF CC(C)(C)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2n1 587177501 KCBKPAAEIGDSFN-UHFFFAOYSA-N 339.418 4.057 0 1 EIAF COc1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1C 587397361 USMKFTBRZWWGQB-GOSISDBHSA-N 336.391 4.082 0 1 EIAF COc1cc2c3c(c1)OC1(c4ccccc4-c4ccccc41)[C@@H](C2)C3=O 587447172 MQHZVRMHBFOCDX-IBGZPJMESA-N 340.378 4.367 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(s1)CCCC4)[C@@H](C2)C3=O 587450110 DKYCZDPTCUHIIK-XOBRGWDASA-N 340.444 4.298 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(OC)ccc1Cl)CC2=O 587461673 LPMSBWKNRNHLGQ-OAHLLOKOSA-N 347.798 4.108 0 1 EIAF COc1nccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587524637 LDFBMDCUGGGEMU-SFHVURJKSA-N 348.402 4.157 0 1 EIAF CCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587759261 ZTWGOYLWUKZONI-QFYYESIMSA-N 337.236 4.033 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 587950683 BYKMSJGXQLDOOT-WHXUTIOJSA-N 342.361 4.058 0 1 EIAF O=C(CCc1ccccc1)c1nc2c(Br)c(F)ccc2[nH]1 587952899 BSFYSDSQAQERQP-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF COc1ccc2c(c1OC)[C@H](c1nccc3ccccc13)N(C)[C@H](C)C2 962635579 LYIUQUMATDSLNQ-SPLOXXLWSA-N 348.446 4.218 0 1 EIAF Fc1cccc2c1[C@H](c1nc3c(s1)CCCC3)N1CCC[C@H]1C2 963096693 GAKHGVJWKQTBTE-SCLBCKFNSA-N 328.456 4.271 0 1 EIAF Oc1ccc2c(c1)[C@]1(CCCOc3c1ccc1ccccc31)NCC2 963344162 ZTOXZVAKUWNRST-JOCHJYFZSA-N 331.415 4.107 0 1 EIAF CCCCOc1ccccc1C[C@H]1C(=O)OC[C@@H]1Cc1ccccc1 1772631583 GSOBFEJZRMRIMD-VQTJNVASSA-N 338.447 4.440 0 1 EIAF Cc1cnc([C@H](CC(=O)O)c2cc(F)cc(-c3cccnc3)c2)s1 1772653111 CNNAMCRDLNRTNU-MRXNPFEDSA-N 342.395 4.259 0 1 EIAF COc1ccc2cc1Oc1cc(ccc1OC)CC[C@H](N)CCCC2 1857575631 WWKLBMBLVMHRCW-QGZVFWFLSA-N 341.451 4.482 0 1 EIAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](C)C(C)C 776231 BKMMNAIVRSJLOD-CYBMUJFWSA-N 344.455 4.422 0 1 EIAF CC1CCC2(CC1)O[C@@]1(O)CC[C@@H](C)C[C@H]1[C@@]1(O)CC[C@H](C)C[C@H]21 4125128 ADNNEGQOWCOQPG-CKAIKGBLSA-N 336.516 4.258 0 1 EIAF CC[C@@H]1CCCCN1c1ccc2nc(O)c(Cc3ccccc3)nc2n1 6138629 CKDNWFKTSVSKEL-MRXNPFEDSA-N 348.450 4.090 0 1 EIAF CCOC(=O)C1=CC[C@H](CCC(c2ccccc2)c2ccccc2)NC1 13823743 JHIZWHQIFSIFIM-OAQYLSRUSA-N 349.474 4.450 0 1 EIAF CC(C)C(=O)c1c(O)cc2c(c1O)C[C@H]1C(C)(C)CCC[C@@]1(C)O2 14514170 CDSIDDNDJFYVNH-MGPUTAFESA-N 332.440 4.456 0 1 EIAF biogenic O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2cc(C3CC3)ccc21 28964769 HCQDPMHQCMBWIJ-SFHVURJKSA-N 332.407 4.249 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCC(N)CC3)cc12 226066834 CWZXVBSYLBDCSI-UHFFFAOYSA-N 339.414 4.363 0 1 EIAF N[C@H](N=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894709 RLSSKWLVRYIJPM-LJQANCHMSA-N 346.475 4.332 0 1 EIAF Oc1nc(O)c2ccc(-c3cccc(-c4ccc(Cl)cc4)c3)nc2n1 587369130 WFHBFTKOOHWWCV-UHFFFAOYSA-N 349.777 4.423 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1O)CC2=O 587466939 QVJGFUVOSUQJPQ-HNNXBMFYSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)cc1F)CC2=O 587467303 SCJIWFPEZRFMSE-KRWDZBQOSA-N 336.309 4.469 0 1 EIAF CCCc1c(O)ccc2c1O[C@](Cc1cccnc1)(C(C)C)CC2=O 587492917 YPWFZGQSMQPLOV-NRFANRHFSA-N 339.435 4.342 0 1 EIAF O=C1C[C@@H](c2c(F)ccnc2Cl)Oc2c1ccc1c2CCCC1 587506041 OAGHGMXHYDUBJT-HNNXBMFYSA-N 331.774 4.459 0 1 EIAF CC(C)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515556 UXBFQZPRELERLL-UHFFFAOYSA-N 327.468 4.021 0 1 EIAF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 587561930 WTCJWFBGKIMFGV-OGETYJQASA-N 325.412 4.078 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2F)N1 587726537 JYTJBQPNHQAAHM-XXFAHNHDSA-N 338.195 4.351 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(=O)C(C)(C)C)N1 587811447 GEJJWNDKUGEJCJ-CABZTGNLSA-N 342.252 4.169 0 1 EIAF O=C(c1cccc(OC(F)F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874421 ZRDMIDKYCXTEKG-UHFFFAOYSA-N 346.264 4.085 0 1 EIAF CC(=O)C[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963125311 TZADKZUSXLWGRV-GOSISDBHSA-N 334.246 4.362 0 1 EIAF CC(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1857610639 UQONFGFDYFZJSG-FQEVSTJZSA-N 333.435 4.005 0 1 EIAF Cc1cc2cc(C)c3nnc(SCc4ccccn4)n3c2cc1C 4213969 WRPKBTIEGRGWSV-UHFFFAOYSA-N 334.448 4.495 0 3 EIAF COc1ccc(-c2csc([C@@](C)(O)c3cccc(OC)c3)n2)cc1 61904373 JMVHQZWYTOQEKZ-IBGZPJMESA-N 341.432 4.083 0 3 EIAF C[C@](O)(c1cccnc1)c1nc(-c2cccc3cccnc23)cs1 61908894 BPODHAVRDLRIDR-IBGZPJMESA-N 333.416 4.009 0 3 EIAF COc1ccc2c(c1)NC(c1cccnc1)=NC(c1cccs1)=N2 6743663 GCGBDSULSKTDAK-UHFFFAOYSA-N 334.404 4.102 0 1 EIAF CCc1oc([C@H](C)C2=C(C)C(=O)[C@@H](C)[C@@H](C(C)C)O2)c(C)c(=O)c1C 14827302 CLPRMQVDBCAKIB-XFHNUULXSA-N 346.467 4.457 0 1 EIAF biogenic CN1CCN([C@H]2CC[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 28013927 CCLCNKBKEJUGFP-RXVVDRJESA-N 342.433 4.179 0 1 EIAF CCCCNc1cc(C)nc2nc(Nc3cc(Cl)ccc3C)nn12 28528950 ZTYBIJUAAWLJNU-UHFFFAOYSA-N 344.850 4.350 0 1 EIAF in-vivo COc1cc(OC)c2c(C)[n+](-c3ccc(Cl)cc3)c(C)cc2c1 40421033 NBFXCHKYMCSWSY-UHFFFAOYSA-N 328.819 4.404 0 1 EIAF Cc1csc(C[C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1 45355698 PYIBCEOJEPANCH-MKBNYLNASA-N 339.291 4.088 0 1 EIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](N=[N+]=[N-])C[C@@H]12 140478725 CHIQFWSFQDADKY-ILYVXUQDSA-N 325.412 4.409 0 1 EIAF Fc1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1 203008028 PWYQZNRNWCXYHE-UHFFFAOYSA-N 344.781 4.357 0 1 EIAF Cc1nc(Br)sc1-c1nc2ccc(Cl)cc2[nH]1 587010861 IMSZHPGYXQIGLS-UHFFFAOYSA-N 328.622 4.411 0 1 EIAF Cc1cc(C)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 587038310 GTZLJXXXEQIDGX-UHFFFAOYSA-N 345.428 4.045 0 1 EIAF COc1cnc(-c2nc3cc(Br)ccc3[nH]2)cc1Cl 587064915 QGLJVJZBECLDCS-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF COc1nccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587082677 AYOXBJLJLUSECG-UHFFFAOYSA-N 345.189 4.489 0 1 EIAF COc1ccc(-c2nc3ccc(Cl)nc3[nH]2)c(C(F)(F)F)c1 587095804 VTCZAECVNUKXDP-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF C[C@@H](c1nc2ccc(C(=N)N)cc2[nH]1)c1ccccc1C(F)(F)F 587098615 RCHUWVBUNMQRPK-SECBINFHSA-N 332.329 4.018 0 1 EIAF COc1ccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c(F)c1 587148160 CYAMYXNXYMTYBK-UHFFFAOYSA-N 349.203 4.372 0 1 EIAF Cc1c(Br)ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587174097 MFDRLQDHXGYQAP-AWEZNQCLSA-N 347.187 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1F)O2 587381453 JDWMMIJZBTVCGU-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587403734 QELITGMIUGRDPZ-YEJXKQKISA-N 337.419 4.040 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(Cl)c1)[C@@H](C2)C3=O 587417944 FVFKGTMWYQIZMA-KXBFYZLASA-N 328.795 4.097 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(Cl)c1)CC2=O 587461535 NBXVQJZSHIKTAB-SFHVURJKSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1C)CC2=O 587480222 OBKWTLMDRUFFOE-IBGZPJMESA-N 326.392 4.368 0 1 EIAF CCOC(=O)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587527080 WBFVKCXWBWZZCW-BTYIYWSLSA-N 342.435 4.023 0 1 EIAF COc1ccc(-c2noc(C(=O)O)c2-c2ccc(Cl)cc2)cc1 1857635389 HVPNJDUUJSNLKV-UHFFFAOYSA-N 329.739 4.369 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@@]21C 2356562606 XYBAYFQGNADPLS-RLLQIKCJSA-N 330.424 4.172 0 1 EIAF CC1=C[C@H](CNc2ccccn2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356577554 HOOVOIKKLPLEMQ-KURKYZTESA-N 340.471 4.282 0 1 EIAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@@H]4[C@@]2(CCC(=O)O)[C@H]1N35 2356665155 WONKRVWAUGXLFM-CWFJNAJYSA-N 331.500 4.309 0 1 EIAF O=C(c1ccccc1Sc1cccc2ccccc12)N1CCOCC1 346533 FFYJAGFYNYUXOH-UHFFFAOYSA-N 349.455 4.463 0 3 EIAF C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C 5228321 IMONTRJLAWHYGT-UQOPEDAQSA-N 340.463 4.063 0 3 EIAF in-vitro C[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 6494578 UZQLDBWLAOCBOO-YMWZRXTESA-N 345.748 4.421 0 1 EIAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNCc1ccccc1 13492826 PXPIPISKMPWOST-UHFFFAOYSA-N 349.217 4.463 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2 14618726 UIXVBRXEFVSERL-ZNLKAECVSA-N 340.419 4.393 0 1 EIAF biogenic C[C@@H](Cc1ccccc1)NC(=O)c1cccc2c(N(C)C)cccc12 26726363 PUDZQIDGQBWXRW-INIZCTEOSA-N 332.447 4.267 0 1 EIAF CCC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c[nH]c2ccccc12 29062974 UAEAMRNIVGWVFD-UHFFFAOYSA-N 347.370 4.181 0 1 EIAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3ccccc3)s1)O2 84602284 DGHBKKBHNLJPGA-LDDOYCOJSA-N 328.433 4.239 0 1 EIAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccccc3CC[C@H]21 100620693 KKVWUXHOSMQRCN-PZJWPPBQSA-N 330.431 4.280 0 1 EIAF Cc1cc(N)c2cc(NC(=O)CCc3ccccc3Cl)ccc2n1 103236418 VFOVZOHRPOQLCC-UHFFFAOYSA-N 339.826 4.350 0 1 EIAF CCC/N=c1\c(NC(=O)c2ccccc2C)c(O)oc2ccccc12 103537673 VRIGARFVHMTIEX-FXBPSFAMSA-N 336.391 4.010 0 1 EIAF CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 117543466 NSSHLVAMSOUXRQ-UHFFFAOYSA-N 338.390 4.318 0 1 EIAF O=c1oc2cc(Cl)ccc2n1CN1CCCC[C@@H]1c1ccccc1 169341752 NQFROQUYWAKXBH-MRXNPFEDSA-N 342.826 4.433 0 1 EIAF CSCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205046931 NILXTZBRELPADO-UHFFFAOYSA-N 339.420 4.274 0 1 EIAF COc1nccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015758 JVZQCIHPKORFCY-UHFFFAOYSA-N 342.811 4.410 0 1 EIAF Clc1cccc(-c2cc(-c3nc4ncc(Cl)cc4[nH]3)n[nH]2)c1 587068335 RHXRDWTUXAZYEW-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF COc1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 587076536 VVYFTFVOODLBTP-UHFFFAOYSA-N 338.798 4.386 0 1 EIAF FC(F)(F)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1 587081082 RGQNCKKXNSKQDA-LBPRGKRZSA-N 339.704 4.306 0 1 EIAF Cc1ccc2c3c(c(CC(=O)O)c(C4CC4)nc13)-c1ccccc1C2=O 587101997 YHDFEINUZWRFBP-UHFFFAOYSA-N 343.382 4.259 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=N)N)cc2[nH]1 587114938 ZXMPGFWUBPIEBE-JTQLQIEISA-N 346.356 4.212 0 1 EIAF Oc1cc(Br)ccc1-c1cc2c3c(cccc3n1)CC2 587208473 RZMRCPVXTPLSDK-UHFFFAOYSA-N 326.193 4.469 0 1 EIAF Cc1nccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c12 587243543 FYMZSLSERFUWRG-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cccc1Br)O2 587376244 INXOWAZMTIJASH-OAHLLOKOSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1C(F)(F)F)O2 587380409 DTPBTCDMFBSNOW-QGZVFWFLSA-N 335.325 4.477 0 1 EIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(F)cn1)CC2=O 587472599 RUKSEQKHVYHHHM-IBGZPJMESA-N 329.371 4.150 0 1 EIAF Cn1cc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 587517431 MYOSBUOCKXHKSO-LJQANCHMSA-N 332.403 4.159 0 1 EIAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)Br 587628197 IZVRCUURUASBDA-UHFFFAOYSA-N 340.526 4.439 0 1 EIAF COc1cccc(C)c1-c1nc2cc(Br)c(C)nc2[nH]1 587785432 APHYYUVLSLPLCD-UHFFFAOYSA-N 332.201 4.013 0 1 EIAF CSc1ccc(-c2csc(-c3ccc(C(N)=O)cc3)n2)cc1 587926332 XGELZTMIIKYTGF-UHFFFAOYSA-N 326.446 4.298 0 1 EIAF Cc1ccc(CNc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 621431236 MSWZZDUGAYQSFL-UHFFFAOYSA-N 347.443 4.344 0 1 EIAF CC(=O)c1cccc(-c2cnc3cnc(-c4cccc(F)c4)cn23)c1 653750418 LAAHQQRVSAUFKK-UHFFFAOYSA-N 331.350 4.405 0 1 EIAF CCCn1ncc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1C 963098716 JAWHXGHAISFKBP-PXNSSMCTSA-N 327.447 4.025 0 1 EIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 1772643337 OQMNHZPXGVEKPO-IZZDOVSWSA-N 349.361 4.017 0 1 EIAF Cc1c(-c2ccc(N3CCC(F)CC3)cc2)[nH]c2ccccc2c1=O 1772656774 WGCHEGBNYLBUQG-UHFFFAOYSA-N 336.410 4.442 0 1 EIAF Cc1nc(Nc2ccccc2)sc1C(=O)c1cnc2ccccn12 1857754323 DEEWPXGZBWFKAJ-UHFFFAOYSA-N 334.404 4.074 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@](C)(O)[C@@]21C 2356562604 XYBAYFQGNADPLS-HOJAQTOUSA-N 330.424 4.172 0 1 EIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cocc3[C@H](O)C[C@@H]12 2356799077 TYPVNOMJAHIGID-PCMNTEJDSA-N 332.440 4.282 0 1 EIAF CCCCN(C)C(=O)c1cc2cc3ccc(OC)cc3nc2s1 4886320 ICQXRYWBJLBQHD-UHFFFAOYSA-N 328.437 4.330 0 3 EIAF CCCN1CCC(=O)N([C@H](CSc2ccccc2)CC(C)C)CC1 12474526 PYEQUFKIQYLXNI-SFHVURJKSA-N 348.556 4.138 0 3 EIAF C[C@H]1CN(CCCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13833010 QCNAQOMPKAJUEF-PGRDOPGGSA-N 339.479 4.461 0 1 EIAF O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(F)cc1 28713234 FYSSNBVXTAUUIB-VLZNNYHMSA-N 331.456 4.448 0 1 EIAF Cc1nnc(-c2cccc(-c3ccc(C(=O)NCC4CC4)cc3C)c2)o1 29130827 ZOUMQGXEYGSCKD-UHFFFAOYSA-N 347.418 4.160 0 1 EIAF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(COC1=O)C2 40878486 FUMGUTQYADOMBS-QVUQGWAFSA-N 334.456 4.027 0 1 EIAF CCOC(=O)c1cc(-c2cccc(OCc3ccc(F)cc3)c2)on1 45290864 KBMNCGJDLYZWBI-UHFFFAOYSA-N 341.338 4.236 0 1 EIAF Cc1cc(O)c(C(C)C)cc1CCC(=O)C[C@H](O)Cc1ccccc1 73197870 NQYADSJKSXBBQH-HXUWFJFHSA-N 340.463 4.319 0 1 EIAF Cn1nc(-c2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc21 84731353 IDABDBCUURQFQP-UHFFFAOYSA-N 335.798 4.427 0 1 EIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 143830663 HPSZQGQRLMRJLO-YRQPXTNQSA-N 334.500 4.322 0 1 EIAF CCN(CC)CCCCN1c2ccccc2O[C@H]2C=CC(Cl)=C[C@H]21 195341334 AYSVOHVYHXXWHC-QUCCMNQESA-N 346.902 4.437 0 1 EIAF C/C(=C/C(=O)O[C@H](C)c1ccccc1)OP1(=O)O[C@@H](C)[C@H](C)O1 299807060 PAQDNXSEENNJQV-RDXWKTGZSA-N 340.312 4.143 0 1 EIAF Cc1cc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c(C)n1 586894951 HMLYCWRAKWEJLO-UHFFFAOYSA-N 329.403 4.401 0 1 EIAF CC(C)(C)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924153 JJLHZGMEDJIHJD-VAWYXSNFSA-N 340.448 4.305 0 1 EIAF COc1cc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2cc1OC 587034667 XNOBXKMBRXVUOU-SNVBAGLBSA-N 328.437 4.433 0 1 EIAF Fc1ccc(/C=C\c2nc3c(Br)ccnc3[nH]2)c(F)c1 587150196 QJZFZLKIRCMSIM-RQOWECAXSA-N 336.139 4.169 0 1 EIAF Fc1ccc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 587151458 ZSSFGQFJHDHUCJ-HYXAFXHYSA-N 340.308 4.336 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587194699 ACNNQQIYOJIHET-MRVPVSSYSA-N 337.320 4.337 0 1 EIAF Cc1cc(C)c(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c(C)c1 587214423 ZSAYUYYMCYZYPH-UHFFFAOYSA-N 330.431 4.440 0 1 EIAF Cc1cc(F)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587232766 AQSKVTSRLPIVCG-WCQYABFASA-N 333.407 4.171 0 1 EIAF Cc1ccnc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c12 587246657 DVYGGZFWXKJXBR-UHFFFAOYSA-N 328.375 4.186 0 1 EIAF Nc1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C(=O)O 587251029 WRCQMCNXDPGRCB-UHFFFAOYSA-N 345.358 4.303 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OCC3CC3)c1)O2 587380709 BVOZFRARAVHAQJ-GOSISDBHSA-N 341.382 4.212 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COCc1ccccc1)(C(C)C)O2 587398563 FMNMIQRABNGRFX-OAQYLSRUSA-N 339.435 4.154 0 1 EIAF CCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440294 FXWVXDAFELXVGA-DYESRHJHSA-N 338.403 4.363 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)cnc1Cl)CC2=O 587472464 RAJARHCXPXBBAV-SFHVURJKSA-N 349.789 4.413 0 1 EIAF C[C@@]1(c2ccc(N)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507828 TZNPAQGKUZCODP-FQEVSTJZSA-N 325.383 4.167 0 1 EIAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529232 LYIKOBVJOHFEHZ-IZFJRYAXSA-N 340.463 4.086 0 1 EIAF C[C@]1([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600684 BRSWVCSJJUYLIX-WNHBSNJKSA-N 348.398 4.325 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1 587823894 SGZBECLOEVYXMO-OFQAXXNZSA-N 336.248 4.376 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnnc1 587859369 FBAJZJABXIVJIT-UHFFFAOYSA-N 335.194 4.035 0 1 EIAF COc1ccc(OC(C)(C)C)n1-c1cccc(C2=NC(C)(C)CO2)c1 587936075 ABHFYPUJLWEEIL-UHFFFAOYSA-N 342.439 4.219 0 1 EIAF CC[C@@]1(Cc2nc3ccnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587959106 COIZSJXQVPKGPG-IBGZPJMESA-N 339.826 4.379 0 1 EIAF Cc1ccc(C)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587959258 PFNVHCQTZKJJNV-UHFFFAOYSA-N 340.736 4.184 0 1 EIAF Clc1ccnc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961613946 JBWHANZIEZSFOL-OAHLLOKOSA-N 349.659 4.265 0 1 EIAF CC/C(C)=C(\N)C[C@]1(C)c2ccsc2CCN1Cc1cccn1C 962373406 LSXRCOVWVFYPLD-XLEPWJDSSA-N 343.540 4.393 0 1 EIAF CCCC(=O)N1CCC2(CCC(c3sccc3C)(N(C)C)CC2)C1 1857573353 CVCNKMWXNHLQIV-UHFFFAOYSA-N 348.556 4.406 0 1 EIAF CCn1c(O)nc2ccc(OCCOc3ccc(C(C)C)cc3)cc21 1857600112 MFDLHQJLPWRKEA-UHFFFAOYSA-N 340.423 4.343 0 1 EIAF CC[C@H]1/C(=C/c2ccccc2)N2C(=O)C[C@H](c3ccccc3)N=C2N1C 205717577 XBBFFHLGNLCMOO-NQBVVMCBSA-N 345.446 4.081 0 3 EIAF CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2 5058756 WYBJWNJTTDCOHL-UHFFFAOYSA-N 341.451 4.318 0 1 EIAF O=C(O)[C@H]1CCCN(CC[C@@H]2CC2(c2ccccc2)c2ccccc2)C1 13729486 IWMITAPIVPWQBA-GHTZIAJQSA-N 349.474 4.179 0 1 EIAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(F)c3)cn12 14961188 ZGGQRNYKRGMQPU-UHFFFAOYSA-N 340.333 4.453 0 1 EIAF O=C(O)[C@H](Cc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1 40895509 OKBASBXKPLMJNO-AWEZNQCLSA-N 344.716 4.434 0 1 EIAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@H]2C)ccc1O 84154553 TZAAYUCUPIYQBR-HTGLOVNISA-N 328.408 4.075 0 1 EIAF biogenic,in-man C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O 85841810 WUUOACSBQPHDQM-MPRPZVOOSA-N 332.440 4.113 0 1 EIAF O[C@@H](CC1c2ccccc2Sc2ccccc21)CN1CCCC1 95580770 SJCVUEZFZDNDKT-HNNXBMFYSA-N 325.477 4.130 0 1 EIAF in-vitro CCOC(=O)c1ccc(OCc2cc3c(cc2OC)CCCC3)cc1 103198179 FPHXMCGBAKZXFZ-UHFFFAOYSA-N 340.419 4.330 0 1 EIAF CCCCc1cc(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)c(Cl)[nH]1 169729449 IAIGOSNVFOMWEZ-MRXNPFEDSA-N 346.814 4.109 0 1 EIAF COC(=O)/C1=C\C=C(\C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 238786638 BVJUMQYSTBMEPO-MHYMYJLJSA-N 348.483 4.097 0 1 EIAF OCC12CCC(c3nc4cc(Cl)c(F)c(F)c4[nH]3)(CC1)CC2 586895430 GRJRTXDXCAUEFV-UHFFFAOYSA-N 326.774 4.079 0 1 EIAF CC1(C)[C@H]2c3nc4ccc(O)c5c4c(c3C[C@H]21)-c1ccccc1C5=O 586989767 DYUXGVJTKFXRIV-BFUOFWGJSA-N 327.383 4.448 0 1 EIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(C)cc3[nH]2)s1 587013667 AQCKQBJOWNMPQB-LLVKDONJSA-N 331.441 4.409 0 1 EIAF c1coc(-c2nc(Cc3nc4ccc5ncccc5c4[nH]3)cs2)c1 587018186 VRNCTWVVXYXLCQ-UHFFFAOYSA-N 332.388 4.418 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(C(F)(F)F)cc2[nH]1 587059843 ZTLGKVPIVSYUCI-LBPRGKRZSA-N 339.748 4.478 0 1 EIAF CSc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075358 HGUSOCARQGISOZ-UHFFFAOYSA-N 341.827 4.186 0 1 EIAF CCc1ccccc1NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1 587241344 UOVBKLPYMSGCEM-UHFFFAOYSA-N 349.312 4.276 0 1 EIAF CCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348701 ANPUFUXTZSRTMM-QUCCMNQESA-N 342.366 4.018 0 1 EIAF COc1cccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390347 MHUKSUYFGUXINQ-FQEVSTJZSA-N 348.402 4.083 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3ncccc3C)C1)O2 587394264 SFXXQAZGSCYJBO-QVKFZJNVSA-N 336.435 4.342 0 1 EIAF CC[C@@]1(c2c(F)cccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424768 UMOAHHMLADNJCH-CWTRNNRKSA-N 330.330 4.026 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4c(C)cc(C)cc4[nH]1)[C@@H](C2)C3=O 587439325 VANHMWAMFZHLOV-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(F)cc1)CC2=O 587466512 LSZROGLNARWDAA-HXUWFJFHSA-N 328.383 4.450 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCOC)(c1ccccc1)CC2=O 587479324 HRRNKXSJFXYSJW-OAQYLSRUSA-N 340.419 4.242 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccco2)N1 587828222 MYGOOQWHQQEUML-AXIZZESMSA-N 336.204 4.470 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(-c4ccccc4)nn3)n1)O2 587875886 UNYAIFUMJUGZNF-UHFFFAOYSA-N 330.322 4.241 0 1 EIAF COc1ccc(CCCc2nc3cnc4ccccc4c3[nH]2)cc1OC 587926439 ZJBZIHOQUXHUEE-UHFFFAOYSA-N 347.418 4.304 0 1 EIAF COc1ccc(/C=C/Cc2nc3cc(C)cc(F)c3[nH]2)c(OC)c1 587928397 BDLSEMQWDQAFPH-SNAWJCMRSA-N 326.371 4.284 0 1 EIAF COc1ccc(OC(C)(C)C)n1-c1cccc(Br)c1N 587937076 NOCWJZFHPWALOD-UHFFFAOYSA-N 339.233 4.008 0 1 EIAF FC1(F)Oc2cc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3cc2O1 587962679 ZAAJEOJEZPIFJJ-RYUDHWBXSA-N 328.318 4.231 0 1 EIAF Cc1ccc2c(c1)[C@]1(CC(C)(C)O2)NCCc2ccc(F)c(C)c21 962095265 WPFXTDPDCVLACF-NRFANRHFSA-N 325.427 4.393 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c[nH]nc1-c1cccnc1 963226278 HKVYFBOCSNVMOU-QVKFZJNVSA-N 332.451 4.218 0 1 EIAF CC[C@H](C)c1ccc(-n2cccc2[C@@H]2c3c(cnn3C)CCN2C)cc1 963955137 NXUGXQWZYKHKOF-KSFYIVLOSA-N 348.494 4.302 0 1 EIAF COc1ccccc1C(=O)CC(=O)c1cccc(OC(F)(F)F)c1 1857598169 OGWPDLOYODRQSF-UHFFFAOYSA-N 338.281 4.050 0 1 EIAF CC1(C)O[C@H](C=Cc2ccccc2)[C@@H]2C(=O)O[C@@H](C(C)(C)C)C[C@H]2O1 2356473030 QOMQQUBHNROENK-TVFCKZIOSA-N 344.451 4.198 0 1 EIAF C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@H](C=C[C@@H]3CCC[C@@H](C)N3C)[C@H]12 2356546245 FMPNFDSPHNUFOS-FVKMIIMCSA-N 345.527 4.419 0 1 EIAF Cc1nn(Cc2ccccc2)c(C)c1[C@H]1C=C[C@H](NCc2ccco2)C1 2356833160 IEZAEOHXOBBUAD-PMACEKPBSA-N 347.462 4.343 0 1 EIAF CC[C@]1(O)CCC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C 17148202 XFKKWOBQJWQESO-JTSCWGHDSA-N 346.511 4.308 0 1 EIAF COc1ccnc2sc3c(=O)n(-c4ccc(C5CC5)cc4)ccc3c12 35285474 NIDRLMLRYSZXIK-UHFFFAOYSA-N 348.427 4.486 0 1 EIAF COc1cc2c(ccn2-c2ccnc3ccccc23)c(OC)c1OC 72114163 CRFKOOYXHBOTKE-UHFFFAOYSA-N 334.375 4.205 0 1 EIAF Cc1ccc(-c2c[nH]/c(=N\C(=O)c3c[nH]cc3-c3ccccc3)[nH]2)cc1 95559733 YMHVEORNOXINOJ-UHFFFAOYSA-N 342.402 4.054 0 1 EIAF O=C(Oc1ccccc1N1CCCC1)c1coc(-c2ccccc2)n1 95563929 FYLJWQSSFNGPLS-UHFFFAOYSA-N 334.375 4.161 0 1 EIAF COc1cc([C@H](C)c2ccc3[nH]cc(C=O)c3c2)cc(OC)c1OC 95580985 NMPKKRVYLQSWBB-GFCCVEGCSA-N 339.391 4.158 0 1 EIAF C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100824315 QSXNOUPYXMWUKT-VVMXMVAESA-N 332.440 4.108 0 1 EIAF endogenous,in-man O=C1CNc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 114712680 QBCFAHSZCSXMHM-UHFFFAOYSA-N 341.499 4.022 0 1 EIAF COc1ccc(-n2c(O)cc(-c3ccc(OC(C)C)cc3)c2O)cc1 169689950 YMIPYLRYPUDACJ-UHFFFAOYSA-N 339.391 4.351 0 1 EIAF O=C(O)c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1 225960929 HJHPUQDFLVHFFZ-UHFFFAOYSA-N 343.386 4.039 0 1 EIAF C[C@@H]1CCc2c(C(=O)NCCCN3[C@H](C)CCC[C@H]3C)csc2C1 245276324 SSDAVWGNVXMOGB-BZUAXINKSA-N 348.556 4.256 0 1 EIAF Brc1cnc(Br)c2[nH]c(C3=CCCC3)nc12 586883299 ISEILNRXUIMLCE-UHFFFAOYSA-N 343.022 4.050 0 1 EIAF CC[C@H](O)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 586900963 OLWCDNDODYZVBI-ZDUSSCGKSA-N 341.249 4.194 0 1 EIAF Cc1cnc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2c1 587049582 RIFWOPJETILXIB-UHFFFAOYSA-N 328.803 4.181 0 1 EIAF Oc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)c1 587055062 QTAVESRSSKUYAZ-UHFFFAOYSA-N 341.567 4.491 0 1 EIAF NC(=O)c1cccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587077344 VFVJJLPSOULHPY-UHFFFAOYSA-N 348.793 4.044 0 1 EIAF COc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Cl 587084142 HIFYRPVHRSSFLC-UHFFFAOYSA-N 334.206 4.353 0 1 EIAF Fc1cc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1Cl 587092517 VFQXGULQESYPKV-UHFFFAOYSA-N 345.683 4.359 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC3CCC3)c1)O2 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JWACZJYBPSHELR-SFTDATJTSA-N 333.479 4.069 0 1 EIAF Cn1nc(-c2ccc(OCc3ccccc3)cc2)cc1C1CCNCC1 27196910 LPPGFKVJKOFPBL-UHFFFAOYSA-N 347.462 4.133 0 1 EIAF CN(C)CCCN1c2ccccc2C[C@H](O)c2ccc(Cl)cc21 33944288 SATHMWNGUPSXIE-IBGZPJMESA-N 330.859 4.019 0 1 EIAF world Cc1cc(Cl)cnc1-c1noc(-c2occc2Br)n1 38694541 HVILSVUSDUMQLT-UHFFFAOYSA-N 340.564 4.116 0 1 EIAF Cc1cccc(NC(=S)N2CCC(c3cccc(Cl)c3)=N2)c1 40420949 JDPMMNHURGMWGD-UHFFFAOYSA-N 329.856 4.455 0 1 EIAF Oc1ccc(-c2cc3cc(I)ccc3[nH]2)cc1 53230277 TVJLUZFJGIODQP-UHFFFAOYSA-N 335.144 4.145 0 1 EIAF C=C(O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C)/C(C)=C\C 70451167 JMQSXOUTISUKMD-NYDKFZDJSA-N 326.392 4.372 0 1 EIAF biogenic,in-vitro CCn1c2ccncc2c2cc(C(=O)c3ccc(OC)cc3)ccc21 71317368 PNANBFBYQOMERO-UHFFFAOYSA-N 330.387 4.449 0 1 EIAF O=C(O)C[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 95579069 GLZJNUJIBZKEJY-AWEZNQCLSA-N 347.208 4.280 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)c(F)c2)S1 115794713 FYFAMLZIMGBOLF-WJDWOHSUSA-N 349.427 4.499 0 1 EIAF C[C@H](COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12)N=O 169715180 VUESFDDJHUGXQX-LLVKDONJSA-N 342.782 4.382 0 1 EIAF CC(C)(CO)c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 205299569 BUXGLMHGEKZJGD-UHFFFAOYSA-N 343.810 4.456 0 1 EIAF COc1ccc(/C=C2\S[C@@H](c3ccc(C)cc3)N(C)C2=O)cc1 299841013 XJNGIZBUDFODGB-GTVARFKMSA-N 325.433 4.249 0 1 EIAF Cc1cc(C)c2[nH]ccc2c1CN1CC[C@H](O)C[C@H]1c1ccccc1 584636941 JTBTYGJFYMKDQG-RXVVDRJESA-N 334.463 4.483 0 1 EIAF Cc1cc(Br)cc2nc([C@@H](C)Sc3ncccn3)[nH]c12 586961121 FULWZUPYLSAXFY-SECBINFHSA-N 349.257 4.277 0 1 EIAF C[C@@H](Sc1ncccn1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586962300 PQQMQYIRHCDKRS-MRVPVSSYSA-N 340.330 4.105 0 1 EIAF O=C(Nc1ccccc1Cl)c1nc2ncc(Cl)c(Cl)c2[nH]1 587060185 DTMPAFMJPOSQTO-UHFFFAOYSA-N 341.585 4.170 0 1 EIAF Fc1cc(Br)ccc1-c1nc2ccc(Cl)nc2[nH]1 587143156 YOOIVPNMTTYMSV-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF COc1nccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149266 JYDMOCRVXBXGOP-KRWDZBQOSA-N 348.381 4.307 0 1 EIAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398689 GKDVUTNNSBAHEE-GOSISDBHSA-N 341.407 4.081 0 1 EIAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587444547 UYVMICQRLBEVNO-AVRDEDQJSA-N 336.431 4.470 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC)c1)CC2=O 587471884 WJALUNPEXILROQ-HXUWFJFHSA-N 325.408 4.267 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)C[C@H](C)C1=O 587478718 HKELEOFVNYPOLE-FKIZINRSSA-N 330.424 4.074 0 1 EIAF CCCCn1nccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587482394 ZVAZPSZWWKMGBQ-SFHVURJKSA-N 328.412 4.048 0 1 EIAF COc1ccc2c(c1)NCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587523076 GWJLXYLYGSPRDM-QFIPXVFZSA-N 349.430 4.250 0 1 EIAF O=C1C[C@@H](c2nc3c(s2)CCC3)Oc2c1ccc1c2CCCC1 587535632 NBFKENSTXZOSBD-INIZCTEOSA-N 325.433 4.217 0 1 EIAF C[C@@H](CC1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536868 XPLQZMLRGTXXNR-VBKZILBWSA-N 328.452 4.352 0 1 EIAF CCOc1ccccc1OCc1nc2ccc3nc(C)ccc3c2[nH]1 587781877 YKWQPTIEVXZPQK-UHFFFAOYSA-N 333.391 4.397 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCSC2)N1 587853622 AMWXSKWSUCUVBO-VFZGTOFNSA-N 342.277 4.227 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(F)n1 587862215 HZBRAJSDYCFIJC-UHFFFAOYSA-N 337.276 4.101 0 1 EIAF COc1ccc(OC)c(-c2nc3cc4ccccc4cc3[nH]2)c1OC 587926043 GUKJBOBRLVZABH-UHFFFAOYSA-N 334.375 4.409 0 1 EIAF O=C1CCN(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc2N1 1772571668 QUAIIWVQMLFXJX-UHFFFAOYSA-N 342.398 4.343 0 1 EIAF C[C@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C(F)(F)F)cc1 14973751 SLVGTOOOMMCFEW-JTQLQIEISA-N 348.328 4.464 0 1 EIAF C[C@H]1CCC[C@@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@H](C)[C@@H]32)N1C 34802083 FMPNFDSPHNUFOS-OROATVINSA-N 345.527 4.419 0 1 EIAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2ccccc2)CC1 45364374 FBKOFAHAPWSPDQ-UHFFFAOYSA-N 338.495 4.400 0 1 EIAF Cc1cccc(CSc2nc(Cc3ccccc3)c(C)c(=O)[nH]2)c1 49115004 UULWSJMVBPOFCP-UHFFFAOYSA-N 336.460 4.270 0 1 EIAF COc1cc2c(ccn2-c2cccc3c2ccn3C)c(OC)c1OC 72142685 DDEFMRHKLJXBIQ-UHFFFAOYSA-N 336.391 4.148 0 1 EIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1ccc(-c2ccccc2)cc1 96248456 ZJKAIWIQCVGYKH-FGZHOGPDSA-N 348.490 4.359 0 1 EIAF COc1ccc(-c2c3cc(OC)c(OC)cc3cc3c2ncn3C)cc1 96938725 IJUUVZVTODQSEQ-UHFFFAOYSA-N 348.402 4.419 0 1 EIAF CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N(C)C2 100844634 NRQIOYJXOKSZCR-HNONPPJISA-N 335.875 4.106 0 1 EIAF Cc1csc(-c2coc3cc(OCC4CC4)cc(C)c3c2=O)n1 103298657 BBJLQNUOHJUWAC-UHFFFAOYSA-N 327.405 4.322 0 1 EIAF O=c1oc(-c2c(F)cccc2F)nc2cc(C(F)(F)F)ccc12 114838884 XAWFWAWHYUKPSF-UHFFFAOYSA-N 327.208 4.152 0 1 EIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169366934 WGPZAVZHAGYUOL-RIHITMGFSA-N 331.500 4.055 0 1 EIAF Clc1cccc(/C=C\c2nc3c(Cl)ncnc3[nH]2)c1Cl 587054162 MABPLNFSENBWKV-PLNGDYQASA-N 325.586 4.484 0 1 EIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(F)c2[nH]1 587079127 GRUPKSMAXFXFNE-ZDUSSCGKSA-N 346.768 4.218 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 587232861 DPABCUWHDHAKMC-RYUDHWBXSA-N 335.835 4.377 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCNc3cc(Cl)ccc31)O2 587380056 OWVOSFTXFMWDLN-IBGZPJMESA-N 342.826 4.297 0 1 EIAF CCc1nc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2o1 587394377 FYPFKBFYJOSSRZ-HXUWFJFHSA-N 336.391 4.161 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(N4CCCCC4)c1)[C@@H](C2)C3=O 587441000 CNAHQZIQNAHRDB-PGRDOPGGSA-N 349.430 4.174 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1OC)CC2=O 587465702 GEWAGSXRRMCMBS-FQEVSTJZSA-N 344.382 4.373 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)ccc1F)CC2=O 587467013 PLKSTSZIWNEPGN-IBGZPJMESA-N 330.355 4.070 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(F)cc31)CC2=O 587472034 OYWLRFFPSBEMDL-FQEVSTJZSA-N 342.366 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)=O)cc1)CC2=O 587490811 VAVKIIBOLDWTQR-OAQYLSRUSA-N 338.403 4.428 0 1 EIAF C[C@@]1(C(=O)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508650 ZOPYEZUCXJDALW-NRFANRHFSA-N 338.378 4.311 0 1 EIAF CC1(C)[C@@H](C(=O)O)C[C@H]1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530413 UOWOPFSDXOTYEA-QLVMHMETSA-N 342.435 4.036 0 1 EIAF O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587536921 YOSYCSIWFOFXAW-LJQANCHMSA-N 336.387 4.043 0 1 EIAF COc1ccc(/C=C\Cc2nc3cccc(Cl)c3[nH]2)c(OC)c1 587929736 PFSXTVAKSKNHKO-HYXAFXHYSA-N 328.799 4.489 0 1 EIAF Brc1cncc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587959091 CJXNGWBUOJVAEN-RYUDHWBXSA-N 328.213 4.067 0 1 EIAF Cc1ccnc2c1CCN[C@]2(c1ccc(Cl)cc1F)C1CCC1 963090949 SQYTXVRTBRUEIU-IBGZPJMESA-N 330.834 4.372 0 1 EIAF CCC(C)(C)[C@@]1(c2cc(F)cc(F)c2)NCCc2ccc(O)cc21 963353757 SLUBJERQHJDYCC-FQEVSTJZSA-N 331.406 4.496 0 1 EIAF O=c1ccc2ccc(OCCCCn3cnc4ccccc43)cc2o1 1857653541 PXBBUCCNBDAJOL-UHFFFAOYSA-N 334.375 4.002 0 1 EIAF CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 3455360 NOVJUAYKKOIURI-QGZVFWFLSA-N 331.799 4.447 0 1 EIAF O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1ccc(Cl)cn1 3587229 XEWFCBYOUIAVOR-AWEZNQCLSA-N 343.210 4.306 0 1 EIAF C[C@]12CC[C@@H]3C4=CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 3813934 YNPKYBDWUNXLBC-FJWRRNOESA-N 326.436 4.124 0 1 EIAF COc1ccc2[nH]cc(CCN(C)Cc3c[nH]c4ccccc34)c2c1 14517500 JVJJCUUQGIQUQZ-UHFFFAOYSA-N 333.435 4.332 0 1 EIAF biogenic COc1ccc(C[C@@H](c2cccc3ccccc23)P(=O)(O)O)cc1 29482897 UZPSPPXMCYKFAI-IBGZPJMESA-N 342.331 4.310 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccccc2)N3C)cc1 34228545 HIQHQNWJRSNELD-AYWYSENESA-N 335.447 4.167 0 1 EIAF Cn1cccc1-c1cccc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)n1 34817154 AFYGZZHZCLFUPR-JLTOFOAXSA-N 349.821 4.118 0 1 EIAF Clc1ccc(Cl)c(C[C@H](c2ccccc2)N2CCNCC2)c1 36093221 ZDQCOGINXTZCCG-GOSISDBHSA-N 335.278 4.182 0 1 EIAF COc1cc(OC)c2c(C)[n+](-c3ccc4ncccc4c3)c(C)cc2c1 40934198 DTFWOEUSEXASSA-UHFFFAOYSA-N 345.422 4.299 0 1 EIAF O=C(CCc1cnnn1[C@@H]1CCCc2ccccc21)c1ccccc1 49113236 KBQBSJYSLFWSEW-HXUWFJFHSA-N 331.419 4.019 0 1 EIAF COc1ccc(CNc2cncc(Oc3ccccc3F)n2)cc1 82068751 VTAOHURJNFHPGX-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF O=c1ccoc2ccc(OCc3cccc(Br)c3)cc12 82157441 MXILSZWAJLSRLK-UHFFFAOYSA-N 331.165 4.135 0 1 EIAF CNc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 84617001 WPKVHSUXXPBBIR-UHFFFAOYSA-N 327.775 4.103 0 1 EIAF CN(C)C1CN([C@@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 95856777 UOUTZBHEYACYMU-LJQANCHMSA-N 344.911 4.281 0 1 EIAF CC(C)Sc1nc([C@H](C)c2c(F)cccc2Cl)cc(=O)[nH]1 169352180 BTMBVLODKKYUOL-VIFPVBQESA-N 326.824 4.215 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253636222 WGPZAVZHAGYUOL-NLKQXVMISA-N 331.500 4.055 0 1 EIAF Cc1ccc(C)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587085487 WJONENNUCXWAKO-UHFFFAOYSA-N 341.846 4.007 0 1 EIAF COC(=O)CCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587096527 DTFPNCKBBWGCLJ-UHFFFAOYSA-N 345.398 4.250 0 1 EIAF Cc1ccc2c3c(cc(C[C@@H](C)C(=O)O)nc13)-c1ccccc1C2=O 587100014 DBKWVAWJZWWYNW-GFCCVEGCSA-N 331.371 4.018 0 1 EIAF Cc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F 587233554 SDFYXUHWLWWXPD-AAEUAGOBSA-N 333.407 4.171 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccccc1Cl)[C@@H](C2)C3=O 587418063 GVXAUDJROMJZDP-IFXJQAMLSA-N 328.795 4.097 0 1 EIAF COc1cc2c3c(c1)O[C@](c1cc(F)ccc1F)(C(C)C)[C@@H](C2)C3=O 587422047 BWQJPXMLPLYZOB-YWZLYKJASA-N 344.357 4.272 0 1 EIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587637924 RCTMHHLGOMSHOJ-UHFFFAOYSA-N 347.292 4.424 0 1 EIAF COc1cc(C)ccc1-c1nc2c(C)c(Br)cnc2[nH]1 587926209 VDZVPGSMUCUMRH-UHFFFAOYSA-N 332.201 4.013 0 1 EIAF Cc1ccc(-n2cccc2[C@H]2NCCc3c2c(C(C)C)nn3C)cc1C 962924251 WYCVEZHFHBQMEG-JOCHJYFZSA-N 348.494 4.186 0 1 EIAF C[C@H](c1cccc([C@H](C)C2CC2)c1OCOP(=O)(O)O)C1CC1 1772574200 PRJBXHMFUJEEJV-TXEJJXNPSA-N 340.356 4.159 0 1 EIAF Nc1cccc(Nc2ncc3cc(-c4cccc(N)c4)ccc3n2)c1 1857644080 HSAOHUIVXIYVDD-UHFFFAOYSA-N 327.391 4.205 0 1 EIAF Cc1nc2ccccc2n1[C@@H](c1cccnc1)c1nc2ccccc2[nH]1 95598867 IHHUOCNDKRMZIU-FQEVSTJZSA-N 339.402 4.254 0 3 EIAF O=C1O[C@@H]2c3ccccc3C(=O)[C@@]2(c2ccccc2)N1c1ccccc1 1650537 QSWDLZWLBGEPJH-IFMALSPDSA-N 341.366 4.476 0 1 EIAF CN(Cc1ccco1)c1ccnc(-c2ccccc2C(F)(F)F)n1 4265965 FGDAJSYWBFZUSZ-UHFFFAOYSA-N 333.313 4.392 0 1 EIAF COc1cc(O)ccc1[C@H]1COc2c(ccc3c2C=CC(C)(C)O3)C1 15257341 IIZFTELYWMLCKS-CQSZACIVSA-N 338.403 4.304 0 1 EIAF endogenous,in-man C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 20485223 WQHURHBTDOKZPM-IUODEOHRSA-N 341.480 4.001 0 1 EIAF CN(C)CCCCn1ccc2ccc(NC(=N)c3cccs3)cc21 34804350 JAOUJDDSXCIDJS-UHFFFAOYSA-N 340.496 4.482 0 1 EIAF COc1ccc(-c2ccncc2)c2cc(C(=O)Nc3ccncc3)oc12 49090030 RZPIQAJQJFUOQV-UHFFFAOYSA-N 345.358 4.151 0 1 EIAF COc1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)ccc1O 84713961 ZLDNXFHANZPEKM-UHFFFAOYSA-N 348.811 4.397 0 1 EIAF O=c1cc(-c2ccc(C3=C4Cc5cc(O)ccc5[C@H]4N=N3)cc2)cc[nH]1 89469104 UGRPUQYPEHQMJF-OAQYLSRUSA-N 341.370 4.222 0 1 EIAF Oc1c([C@H](NCc2ccccc2)c2ccncc2)ccc2cccnc12 144688296 CCWRTOPNDYNTES-HXUWFJFHSA-N 341.414 4.215 0 1 EIAF O=C(Cc1ccc(/C=C/c2cc(O)cc(O)c2)cc1)c1ccccc1O 210453683 RNJDWDVUIGYFLD-JXMROGBWSA-N 346.382 4.399 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586914695 XSTWLWDNECSPIG-VXNVDRBHSA-N 344.640 4.046 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(C)c2[nH]1 586963839 QLDCBPWYJXPRSU-CYBMUJFWSA-N 328.441 4.227 0 1 EIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cnccc2[nH]1 586995366 FMXNARSCSOXMAE-UHFFFAOYSA-N 332.201 4.035 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cs1 587021634 OMVJADALQWNPSA-UHFFFAOYSA-N 328.347 4.044 0 1 EIAF Clc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2nc1Cl 587036484 COPWYXOSFGTVBL-SNVBAGLBSA-N 340.235 4.183 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCO3 587062234 OOTYEHOTRFXDCR-ZDUSSCGKSA-N 330.771 4.475 0 1 EIAF COc1cc(OC)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 587098558 SOJVVIDEUQSCKI-UHFFFAOYSA-N 340.276 4.405 0 1 EIAF NCc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587247277 XRHFBNCQHPCRQF-UHFFFAOYSA-N 329.403 4.268 0 1 EIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C(F)F 587382197 KBNXSYRMLYKLRG-HNNXBMFYSA-N 333.334 4.230 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1Nc1ccccc1)O2 587389245 JNHFXWJZDWUHAE-TZIWHRDSSA-N 336.435 4.336 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc([C@@H](C)OC)cc1)[C@@H](C2)C3=O 587438396 FJOBIIOHBTVXGI-LGZJRCCHSA-N 338.403 4.065 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)cc1)CC2=O 587484231 ZCWADBXRYDPXAZ-LJQANCHMSA-N 326.392 4.450 0 1 EIAF O=C1C[C@H](c2c(F)ccc(F)c2O)Oc2c1ccc1c2CCCC1 587507366 PTRUHYQWUKHTIY-MRXNPFEDSA-N 330.330 4.256 0 1 EIAF CC(=O)c1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 587565990 OSPKOASMALMKLS-UHFFFAOYSA-N 338.407 4.379 0 1 EIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnccn1 587859006 AMYKUMACZOVKED-UHFFFAOYSA-N 335.194 4.035 0 1 EIAF Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(Cl)cc2)o1 1772593400 IRZPQJHEACJQOI-UHFFFAOYSA-N 340.692 4.053 0 1 EIAF NCCN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 1772625041 PHAHQZQGFNOTMV-UHFFFAOYSA-N 343.641 4.252 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC2=C(C)CC[C@@H](C(C)C)[C@H]2C=C1C(=O)OC 2356692219 NWOSQAZFIFOMOK-VGDUNAEUSA-N 348.483 4.446 0 1 EIAF CCCCC[C@@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@@H]1OC 2356728706 SOCRUGYUGDSRET-HNAYVOBHSA-N 348.439 4.413 0 1 EIAF COc1ccc(-c2csc([C@@](C)(O)c3ccccc3)n2)cc1OC 61902373 LMRJSPBHEVVYOS-IBGZPJMESA-N 341.432 4.083 0 3 EIAF COc1ccc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1F 61903861 IIVAHBDDJWBRRO-FQEVSTJZSA-N 348.377 4.459 0 3 EIAF O=C(c1ncc[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 40567167 MIADBIXLSPRVBB-UHFFFAOYSA-N 335.794 4.297 0 1 EIAF COc1cc(OC)cc(C(=O)c2ccc(N(C)C)c3ccccc23)c1 40957742 JAJQKZNXKQBWLF-UHFFFAOYSA-N 335.403 4.154 0 1 EIAF Cc1c(-c2cccc3ccccc23)c(=O)[nH]c2cc3c(cc12)OCO3 43075514 APOMTKVMDURUAO-UHFFFAOYSA-N 329.355 4.385 0 1 EIAF CC(C)=C[C@@H]1C/C(=C\CC/C(C)=C/CCC2=CC(=O)OC2)C(=O)O1 49053762 CKWCZHSERNCFJJ-VSHYEWDMSA-N 330.424 4.184 0 1 EIAF COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2c1CCCN2 64264484 YLVXPQYHRDXGNO-UHFFFAOYSA-N 346.818 4.054 0 1 EIAF CN(C(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(F)c(F)c1F 72112327 YTGULOTXHVCRDO-UHFFFAOYSA-N 338.373 4.074 0 1 EIAF Cc1ccc2[nH]c(C[C@@H](CC(=O)O)c3ccc(Cl)cc3)nc2c1 72116803 ORVSSCKYAQGGMG-ZDUSSCGKSA-N 328.799 4.326 0 1 EIAF COc1ccc(-c2c[nH]c3ncc(-c4cccc(N)c4)cc23)cc1OC 95574820 JPTMGCYMHIJHRQ-UHFFFAOYSA-N 345.402 4.496 0 1 EIAF Cc1ccsc1C1=NO[C@@](C)(COCc2c(F)cccc2F)C1 98084791 OPEJGICLTMWFNQ-QGZVFWFLSA-N 337.391 4.435 0 1 EIAF C[C@]12CCCC[C@H]1c1cc(OCC(=O)O)c(Cl)c(Cl)c1C2=O 169345777 ABDWAQIYMKYCPD-FVMDXXJSSA-N 343.206 4.317 0 1 EIAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H](O)O[C@H]3O2 238751156 GJHSJLKEFAMHFY-GNBUJSLZSA-N 332.440 4.037 0 1 EIAF CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2=O 238785104 GHBDGQQTWLVNLP-MISYRCLQSA-N 330.424 4.251 0 1 EIAF O=C1c2ccccc2-c2cc(-c3ncccc3F)nc3ccc(O)c1c23 586988769 QEBFJBNHGILHLL-UHFFFAOYSA-N 342.329 4.353 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)CCCC3 587059373 QOFLYVMNPRVWHK-INIZCTEOSA-N 325.843 4.338 0 1 EIAF Fc1cc(Br)ccc1-c1nc2cncc(Cl)c2[nH]1 587142500 CUZGWIAHWHYWLK-UHFFFAOYSA-N 326.556 4.180 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(C)(C)C)nc1C(C)C)O2 587393185 ZHFCBQUTWJHGQF-QGZVFWFLSA-N 341.455 4.359 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Cl)nc1Cl)O2 587413442 OBCGBOMLTDIRFJ-VIFPVBQESA-N 329.208 4.047 0 1 EIAF COc1cc2c3c(c1)O[C@H](C1(c4ccccc4)CCCC1)[C@@H](C2)C3=O 587445531 KRAKFNCINJTNHS-UWJYYQICSA-N 334.415 4.323 0 1 EIAF Cc1ccc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 587515271 MWFREUZHKYHMGC-LJQANCHMSA-N 332.403 4.228 0 1 EIAF CCC[C@@]1(C2CCNCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587521575 CNZDWFRVZXINNL-NRFANRHFSA-N 327.468 4.069 0 1 EIAF CC(C)CCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521729 JTFMPYZBDBEYIR-NRFANRHFSA-N 344.451 4.269 0 1 EIAF C[C@]1(c2nc3c(s2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587535600 MRYTVFIOLYUQAT-HXUWFJFHSA-N 339.460 4.391 0 1 EIAF C[C@]1([C@@H]2C[C@H]3C=C[C@@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600669 BRSWVCSJJUYLIX-IZKBAOSASA-N 348.398 4.325 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3cncc(Br)c3)n1)O2 587872600 PDNIGRWVEGIQJO-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF CCC[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C 587955064 JFHIXAFBEXKCOR-CQSZACIVSA-N 339.443 4.162 0 1 EIAF CCn1cc(Cl)c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)n1 962666831 LSCDXCNVWRJMKF-LJQANCHMSA-N 337.854 4.459 0 1 EIAF CN1CC[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@@H]2CCC[C@H]21 962669774 SNTXTGFIFHWABM-DNVJHFABSA-N 332.491 4.199 0 1 EIAF c1ccc(-c2ccc3c(c2)CCNC32CCN(CC3CC3)CC2)cc1 962673230 WHYGKQRLEBTTBY-UHFFFAOYSA-N 332.491 4.200 0 1 EIAF C[C@H](C[C@H]1c2c(F)cccc2C[C@@H]2CCCN21)C(=O)OC(C)(C)C 963092955 BGANUWUAUJGASO-KMFMINBZSA-N 333.447 4.255 0 1 EIAF CC[C@@]1(c2ccc(O)c(OC)c2)c2ccc(F)cc2C[C@H]2CCCN21 963097577 FXLKVIIRICAZED-DYESRHJHSA-N 341.426 4.214 0 1 EIAF O=C(NCc1noc2ccccc12)N(Cc1ccco1)C1CCCC1 6859993 ZJIVXHKWWAWVRI-UHFFFAOYSA-N 339.395 4.075 0 1 EIAF CCCN(CCc1cccc(O)c1)CCc1ccc(Cl)c(O)c1 13730711 LPRDBSOZZZGOEA-UHFFFAOYSA-N 333.859 4.248 0 1 EIAF CCCN(CCC)C(=O)c1cccc2c1[C@@H]1CCN(CCC)[C@@H]1CC2 13740528 BIWNMNHJFZWZIO-UYAOXDASSA-N 342.527 4.463 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O 14774365 RBOFUIKHKQRVJQ-XFQAVAEZSA-N 346.467 4.165 0 1 EIAF Clc1ccc(CCN2CCC[C@@H](N3CCCC3)C2)cc1Cl 22444469 XZHUMOZFKIRLFW-OAHLLOKOSA-N 327.299 4.096 0 1 EIAF CC(C)(Oc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)O 26402984 UAZCOOYMWDLPRN-UHFFFAOYSA-N 348.786 4.226 0 1 EIAF c1ccc(OCC2[C@H]3CN(Cc4nc5ccccc5s4)C[C@@H]23)cc1 40403576 WBVLWNTYBPPISB-SJPCQFCGSA-N 336.460 4.053 0 1 EIAF O=C1NOCc2[nH]c3c(ccc4cnc(/C=C/c5ccccc5)cc43)c21 72109099 DBMVISJMXLUOQS-SOFGYWHQSA-N 341.370 4.062 0 1 EIAF Cc1c(C(=O)c2ccc3ccccc3c2)c(C)n(C)c1CCC(=O)O 73220537 LSBHCUCWHRVIAC-UHFFFAOYSA-N 335.403 4.043 0 1 EIAF COc1ccc(Oc2cc(NCc3cccc(F)c3)ncn2)cc1 82068353 QXGSIEAOWOLIHW-UHFFFAOYSA-N 325.343 4.029 0 1 EIAF CCN(CC)CCCCCOc1ccc(-n2cc(C)ccc2=O)cc1 103233155 XIRVOZQUEOEKBG-UHFFFAOYSA-N 342.483 4.037 0 1 EIAF COc1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587004875 AVBWQVXDOXWXDO-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Brc1cccc2nc(-c3csc4c3CCOC4)[nH]c12 587031925 NNSBSBRLMQNPEP-UHFFFAOYSA-N 335.226 4.127 0 1 EIAF COC(=O)Nc1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 587243495 NBMIDPPQLBMVAT-UHFFFAOYSA-N 325.368 4.195 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3C)nc1)O2 587393275 DTEVTOYFVYASDW-LJQANCHMSA-N 345.402 4.049 0 1 EIAF C[C@]1(c2oc3cccnc3c2N)CC(=O)c2ccc3c(c2O1)CCCC3 587508870 FSUVABADQOAHJA-OAQYLSRUSA-N 348.402 4.169 0 1 EIAF Cc1cc(Cl)cc2c(CCN(C)N=O)c(-c3cccnc3)[nH]c12 587624065 BZZFNZBGWCXCOA-UHFFFAOYSA-N 328.803 4.347 0 1 EIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(Cl)cccc3C2)cc1 1772649125 USGPXWHCXJYTHR-CQSZACIVSA-N 342.870 4.095 0 1 EIAF Fc1ccccc1-c1cn(Cc2ccc(-c3cccnc3)cc2)nn1 1857555338 DJCCECXADYTNDZ-UHFFFAOYSA-N 330.366 4.195 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@@H]2CC[C@H]34)C1 2356599874 PHZBMHANCWAUSO-OVFLGSAZSA-N 328.544 4.127 0 1 EIAF COc1ccc(-c2sc(Nc3ccccc3)n[n+]2C)c(C)c1C 15936929 CJMBBEKPSWAGBJ-UHFFFAOYSA-N 326.445 4.004 0 3 EIAF COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2)cc1OC 1634950 YCOMVNYUYPKRSD-UHFFFAOYSA-N 346.810 4.384 0 1 EIAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(CCC(C)C)CC2 7991980 BVSVQIFXGNUTCZ-INIZCTEOSA-N 330.516 4.290 0 1 EIAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CCO[C@H]1O2 13609161 JZMKNXICJRCGJX-PKOBYXMFSA-N 325.364 4.002 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 13756290 OVURERDJMLXMHG-ZYVPZICASA-N 330.468 4.450 0 1 EIAF CCNCCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 13805869 HANVENUBICTJAH-UHFFFAOYSA-N 333.479 4.326 0 1 EIAF CCCCC1=C[C@@H](C2=NO[C@H](C(=O)Oc3ccccc3)C2)C(Cl)=N1 101652644 QJCLVHYTRRNFQZ-HOCLYGCPSA-N 346.814 4.078 0 1 EIAF Cc1cc([C@@H](C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144291675 GUWOFQJDSDHCOO-CYBMUJFWSA-N 347.418 4.007 0 1 EIAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(F)cc3)cc2)C1=O 169720217 PQTMSGVZUGBSRD-HXPMCKFVSA-N 328.408 4.273 0 1 EIAF CC(C)=CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C 238736593 TZGVKGWTDMZEBV-YRYMLKIGSA-N 332.440 4.108 0 1 EIAF Oc1nccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064713 NRNWPYWLXLCBET-UHFFFAOYSA-N 341.754 4.156 0 1 EIAF COc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Cl 587071350 KKZKOMGGRNKYMJ-UHFFFAOYSA-N 335.190 4.304 0 1 EIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587089192 ZLWMTJOFCXNIHC-ZETCQYMHSA-N 349.278 4.471 0 1 EIAF C[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587158902 YWYKVRTVEJYKJN-QGZVFWFLSA-N 347.752 4.286 0 1 EIAF Nc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc2ccccc12 587254699 VIFGZCXIKDGEFS-UHFFFAOYSA-N 328.297 4.379 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCC3)cc1)O2 587392729 CGQLQZUQSAZYHQ-OAQYLSRUSA-N 336.435 4.058 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(C)cc4c1C)[C@@H](C2)C3=O 587437537 GQEMLKLOJQAFOH-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4c(C)cccc4c1C)[C@@H](C2)C3=O 587440050 YXSCZVIMVAEKGR-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF CCOc1cccc2[nH]cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 587440168 ZRGFZZBRCPYFGE-ASSNKEHSSA-N 349.386 4.064 0 1 EIAF CNc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582329 ZSAMVVCPXQTTKM-NQIIRXRSSA-N 347.370 4.137 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600349 AVXORLYZTUIWGT-GHTZIAJQSA-N 332.355 4.404 0 1 EIAF COc1ccc(CNC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587631451 MPXABKXJCOYUHL-UHFFFAOYSA-N 346.789 4.207 0 1 EIAF C[C@@H]1C[C@@H](Cc2ccccc2)[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31C2(C)C 2356365676 PYLONMJJKDMLCG-IZEOCTEISA-N 340.463 4.063 0 1 EIAF OC1(c2ccc(Cl)cc2)[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 13494190 WTEIJIHIMKEQPY-UFRUDQCGSA-N 327.855 4.070 0 1 EIAF c1ccc2c(c1)C[C@@H](SCCN1CCOCC1)c1ccccc1O2 27549718 OOMGATXCWPOEHV-HXUWFJFHSA-N 341.476 4.142 0 1 EIAF COC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(=O)O)ccc3o2)c1 29237738 GFSAUBIHROCKGR-UHFFFAOYSA-N 346.726 4.025 0 1 EIAF CN1C[C@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C[C@@H]1C2 34602069 WOMCGBFNBSIIEA-QMMLZNLJSA-N 349.474 4.019 0 1 EIAF CCCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 40874795 MPWBLCUFPHYGKX-UHFFFAOYSA-N 335.407 4.277 0 1 EIAF CC(=O)O[C@H]1C[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]2CC[C@H]3C[C@@]12C=C3C 85957381 OFNWUWHDGCNABD-QYLGYJGISA-N 346.511 4.489 0 1 EIAF in-man O=C(Nc1cccc(O)c1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 166609043 ZJEJEVKTRQCVPC-UHFFFAOYSA-N 347.349 4.327 0 1 EIAF CC[C@@H](C)Cc1ccnc2c(N[C@H](C)CCCN)cc(OC)cc12 169329212 DYMOIGOWICYZTC-HUUCEWRRSA-N 329.488 4.371 0 1 EIAF Clc1ccc(Br)nc1-c1nc2cncc(Cl)c2[nH]1 587005045 KLGOWIUUJSOFIY-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF COc1cc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2cc1C 587022561 ZBBZHZAXFJEXMG-UHFFFAOYSA-N 336.420 4.083 0 1 EIAF Cc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 587043526 ZYFJJAKLCDMMIJ-UHFFFAOYSA-N 343.477 4.324 0 1 EIAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587093802 USSLCTGRTJETQH-STQMWFEESA-N 330.309 4.460 0 1 EIAF Cc1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1C(F)(F)F 587095623 NKPCZPNZOWRKHS-UHFFFAOYSA-N 330.313 4.357 0 1 EIAF Cc1c(F)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587116844 BKPAINMUEOSGNC-UHFFFAOYSA-N 338.308 4.151 0 1 EIAF Cc1ccc(C)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 587122733 DCOVFDXXDPSLFG-CMPLNLGQSA-N 349.360 4.351 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)ccc3C1)CC2=O 587472799 VGSCSPPULMCZTP-NRFANRHFSA-N 340.394 4.377 0 1 EIAF O=C1C[C@@H](c2ccc(-n3ccnc3)cc2)Oc2c1ccc1c2CCCC1 587516366 RVVFNZRFHXUMRW-NRFANRHFSA-N 344.414 4.458 0 1 EIAF CCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587521680 DXOOZHXMMMUHSN-FQEVSTJZSA-N 330.424 4.023 0 1 EIAF C[C@]1([C@H]2C[C@H]3C=C[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600686 BRSWVCSJJUYLIX-XPOAJRFMSA-N 348.398 4.325 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@H]2CC[C@H]1C2 587602463 HZEUXNUHZJTXFZ-WSDHXFIJSA-N 336.387 4.159 0 1 EIAF CNc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746012 YKXROHHZLBWLDI-DYZYQPBXSA-N 349.247 4.254 0 1 EIAF Cc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587773295 QIDZNYRISAAGLP-APPDUMDISA-N 349.247 4.089 0 1 EIAF Cc1cccnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774515 WCRGXEIPOQMWIN-APPDUMDISA-N 349.247 4.089 0 1 EIAF COc1ccc(CCCc2nc3ccc4ncccc4c3[nH]2)c(OC)c1 587928795 MECYSJXBSXMTIO-UHFFFAOYSA-N 347.418 4.304 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587936262 KFOYOTFQNTWTAS-GTNSWQLSSA-N 330.815 4.370 0 1 EIAF CC(C)Oc1ccc(-c2nnc(-c3cncn3C)s2)cc1Cl 653692078 XHNWRBJAIUNRCW-UHFFFAOYSA-N 334.832 4.046 0 1 EIAF O=C(O)C[C@H](c1cc(F)cc(-c2cc(F)ccc2F)c1)c1ncco1 1772627246 XAGVNHCHUUXNSL-OAHLLOKOSA-N 347.292 4.366 0 1 EIAF [C-]#[N+]c1ccc(OC)c(-c2c[nH]c3ncnc(N4CCC[C@H](C)C4)c23)c1 1772652775 PYNUGNUADAHVQF-ZDUSSCGKSA-N 347.422 4.421 0 1 EIAF CCCCC[C@H](O)C=CC=CCCCC[C@@H](CCC(=O)O)NCC 2356353093 HZOZPLSYGFJABL-OALUTQOASA-N 339.520 4.443 0 1 EIAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1CCC(C)C 2356370133 XOPCCMVBYLZZMP-INIZCTEOSA-N 336.472 4.042 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CCC[C@H](C(=O)O)[C@]21C 2356625067 YOHUCVRCSMMGNP-HWKAVOKNSA-N 346.423 4.202 0 1 EIAF CC(C)=C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 5834295 DFGWDORZGHNHKH-SFHVURJKSA-N 341.476 4.471 0 1 EIAF CN1CCC[C@@H]2[C@@H]3CC[C@H]4c5nonc5CC[C@]4(C)[C@H]3CC[C@@]21C 6482905 AYIZBBPMNRJANA-XOHIKNMTSA-N 329.488 4.026 0 1 EIAF C[C@]1([C@@]2(C)CCCCN2)COC(c2ccccc2)(c2ccccc2)O1 14952392 LXSFMSNAFNZVIS-NHCUHLMSSA-N 337.463 4.225 0 1 EIAF in-vitro CCCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 34821470 RIIFUZISBGVLON-MSOLQXFVSA-N 335.831 4.063 0 1 EIAF Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)o1 82163059 ACFRYZNAXZHTGG-UHFFFAOYSA-N 334.423 4.343 0 1 EIAF CC[C@]1(C(=O)NCCc2ccc(Cl)s2)[C@H](C)C1(Cl)Cl 103296641 OACHGQWHNADBRX-QPUJVOFHSA-N 340.703 4.280 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](CO)C3 206589065 YSYQTDVOZWSRET-OOPZRWPMSA-N 334.500 4.181 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@@]12C 238785312 WXXUTDJJIXJPLZ-QGDUONQESA-N 330.424 4.316 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)C2 586888785 YKLLUWRFBHYFRB-DCAQKATOSA-N 336.313 4.100 0 1 EIAF CC(C)(C)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586924081 GPKXQYHAMBYWDB-SEYXRHQNSA-N 340.448 4.305 0 1 EIAF N=c1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c[nH]1 587128097 GJFAMCLHUAPSKN-UHFFFAOYSA-N 343.362 4.099 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2cccc(C(F)(F)F)c2[nH]1 587176610 XOEVFPGPJSHRRR-UHFFFAOYSA-N 329.684 4.360 0 1 EIAF COc1ccc2c(c1Cl)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587378431 CCTGFKIIBGWQAU-IBGZPJMESA-N 343.810 4.046 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1cncc(C)c1)CC2=O 587492031 VXPGVRONBKJISO-OAHLLOKOSA-N 325.408 4.015 0 1 EIAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O 587530872 WHLKGZBMPRSOQE-KNXBSLHKSA-N 338.447 4.295 0 1 EIAF CCCCNc1nc(N)nc(C)c1CCCn1ccc2ccccc21 1772610056 BNLHNFMOJLMSMB-UHFFFAOYSA-N 337.471 4.167 0 1 EIAF C[S@@](=O)/C=C/CCNC(=S)Sc1ccc(C(C)(C)C)cc1 1857774785 MPKYLOYASHVYKG-YICVCXCLSA-N 341.567 4.233 0 1 EIAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 61907166 IXUQIHYQVFDSRM-UHFFFAOYSA-N 345.418 4.066 0 3 EIAF COc1cccc2c1C[C@@H](CC1CCN(Cc3ccccc3)CC1)C2=O 3814276 KUSSCVJBDDYTOG-LJQANCHMSA-N 349.474 4.353 0 1 EIAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3F)cn12 14961180 YKVRZQFJVPFEAR-UHFFFAOYSA-N 340.333 4.453 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cccc3c1Cc1ccccc1-3)C2 26939189 DNFDUBKLAGVOOT-SJPCQFCGSA-N 333.431 4.040 0 1 EIAF CC(C)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 36093159 SYBBVGDRPQQUDK-UHFFFAOYSA-N 332.385 4.055 0 1 EIAF CCCNc1nc(SC)nc(SCc2ccccc2)c1C(=O)O 53314118 PMZWGQGBYRSGBC-UHFFFAOYSA-N 349.481 4.011 0 1 EIAF COc1ccc(-c2nnc(-c3c[nH]c4ccccc34)s2)cc1OC 64426605 SJBFLIPYEDYMPR-UHFFFAOYSA-N 337.404 4.371 0 1 EIAF Cc1nc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n[nH]1 64548868 JIZAXYFIPHHWDF-UHFFFAOYSA-N 348.431 4.176 0 1 EIAF Cc1ccnc(NCc2cccc(C(=O)Nc3nc(C)cs3)c2)c1 95755552 PZOUNAWOJOUMKV-UHFFFAOYSA-N 338.436 4.019 0 1 EIAF c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCCn2ccnc2)cc1 103148631 VAVLGLPINYWHFE-FEGSXJMISA-N 349.522 4.300 0 1 EIAF CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(Br)c2)C1 138756181 PCLYKAGGELJIIV-SJLPKXTDSA-N 330.269 4.457 0 1 EIAF CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 196481727 HQNABVZJQKSLJX-XHJSXGDGSA-N 331.463 4.064 0 1 EIAF Clc1ccc([C@@H](C[C@@H]2CCCCO2)Cn2cncn2)c(Cl)c1 230558334 ZLCZZBPSNLEAIT-JSGCOSHPSA-N 340.254 4.328 0 1 EIAF CC(C)=CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 238736230 PXMQEUQSUMAFIZ-WBZSCFCESA-N 330.424 4.257 0 1 EIAF CCN1CC[C@@]2(c3cccc(O)c3)C[C@H]1Cc1[nH]c3ccccc3c12 253690348 DSOVZCSZPXGAMI-ZHRRBRCNSA-N 332.447 4.200 0 1 EIAF Cc1oc2c(c1-c1nc3cc(Cl)nc(Cl)c3[nH]1)C(=O)CCC2 586903590 LMBZMCQSWUWBFA-UHFFFAOYSA-N 336.178 4.352 0 1 EIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(C)cc3[nH]2)s1 587013669 AQCKQBJOWNMPQB-NSHDSACASA-N 331.441 4.409 0 1 EIAF CC(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232222 OZHIPQUOSHKRHW-UHFFFAOYSA-N 345.402 4.315 0 1 EIAF Cc1cnc(Cl)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc12 587259140 QNJRSPRGZJDHRW-HNNXBMFYSA-N 336.826 4.315 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(F)cc3)n1)O2 587385319 RWYFAADTWGFOLB-FQEVSTJZSA-N 348.377 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@@H](C[C@H]1CCCc4ccccc41)[C@@H](C2)C3=O 587443710 BJDJWLXMORJEIH-ZMYBRWDISA-N 334.415 4.321 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3c[nH]nc13)CC2=O 587478161 AMCJJFXFGMQXEI-FQEVSTJZSA-N 336.391 4.102 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCN3)CC2=O 587485650 QCTIYWNIWCNURV-NRFANRHFSA-N 337.419 4.193 0 1 EIAF CC(C)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658099 FVXPSMKHEGXGCX-UHFFFAOYSA-N 338.382 4.279 0 1 EIAF Cc1cc2c(cc1F)[C@]1(NCC2)c2ccccc2Oc2ncccc21 962296219 FPRIABFBPVAADI-NRFANRHFSA-N 332.378 4.072 0 1 EIAF Cn1cccc1CN1CCc2sccc2[C@@H]1C1=CCCSC1 962402384 ZXEJRKWXJUCZPS-SFHVURJKSA-N 330.522 4.249 0 1 EIAF COc1cc2c(cc1OC)[C@@]1(CCCc3sccc31)N(C)[C@H](C)C2 962632069 OMANKJNVCAWULQ-XCLFUZPHSA-N 343.492 4.222 0 1 EIAF Fc1ccc2c(c1)[C@]1(C=CO2)NCCc2c(Cl)cc(Cl)cc21 963101472 BHMJWNCSFIDFQR-QGZVFWFLSA-N 336.193 4.428 0 1 EIAF CN1CCc2c(Br)cccc2[C@]1(c1ncco1)C(C)(C)C 963278990 DGFQHVROCYWOSG-KRWDZBQOSA-N 349.272 4.215 0 1 EIAF C[C@@H](c1cccc([C@H](C)C2CC2)c1OCOP(=O)(O)O)C1CC1 1772587690 PRJBXHMFUJEEJV-VXGBXAGGSA-N 340.356 4.159 0 1 EIAF COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1-c1ccccc1 199734942 MCMFTXHODJHKLR-HXUWFJFHSA-N 345.402 4.009 0 3 EIAF C=C(c1cc(OC)c(OC)c(OC)c1)n1ccc2cc(OC)ccc21 28459215 MWPXXZLANVWQNS-UHFFFAOYSA-N 339.391 4.195 0 1 EIAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2[nH]cnc2c1C(=O)O 29334541 OFCYZVMXXDRSCK-UHFFFAOYSA-N 347.349 4.438 0 1 EIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@@H]1N2C 58499019 XDCKKLJZZNMBOS-YRXWBPOGSA-N 341.476 4.154 0 1 EIAF Cn1cc(-c2ccc(CN3C(=O)CCCc4ccccc43)c(F)c2)cn1 95598195 XDITXCRHMJPTAH-UHFFFAOYSA-N 349.409 4.096 0 1 EIAF C[C@H]1CCCN1c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144789566 QGWYSTBAKRATDB-SGTLLEGYSA-N 333.353 4.454 0 1 EIAF CCCCCNCC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C/CCCC(=O)O 169370680 JHHGXPAXHMPAAB-AWOIQTLVSA-N 337.504 4.151 0 1 EIAF Fc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017349 KJDSJVIOSLHHFW-UHFFFAOYSA-N 337.379 4.427 0 1 EIAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2n1 587059834 ZFJVBUSREMQCGW-ZDUSSCGKSA-N 328.847 4.151 0 1 EIAF Cc1ccc2c3c(cc(-c4cccnc4N)nc13)-c1ccccc1C2=O 587096986 FYJPWZSQCPIBGA-UHFFFAOYSA-N 337.382 4.399 0 1 EIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Cl)cc3[nH]2)n1 587119772 WZKOSWLWRQRCJO-UHFFFAOYSA-N 340.736 4.357 0 1 EIAF Cc1c(NC(N)=O)cccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587238195 BKSCWZPAORXXEG-UHFFFAOYSA-N 334.301 4.048 0 1 EIAF CC(=O)Nc1cccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587242752 QTQUMALNMCVJIG-UHFFFAOYSA-N 335.741 4.044 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)c(F)c1)O2 587382003 MHCZNXSNDVBEIK-HNNXBMFYSA-N 339.288 4.442 0 1 EIAF CSc1ccc2c(c1)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587408420 BNMMYOOKDCXBLZ-IBGZPJMESA-N 325.433 4.106 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1C)CC2=O 587460127 GLVWXQACOJGOQX-MRXNPFEDSA-N 331.799 4.408 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(F)cc13)CC2=O 587472438 QLZBAKFOZLWULS-QGZVFWFLSA-N 340.354 4.067 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](Cc1cccnc1)(C(C)C)CC2=O 587492918 YPWFZGQSMQPLOV-OAQYLSRUSA-N 339.435 4.342 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccccc31)CC2=O 587493183 STOZEEIRFVBFGJ-NRFANRHFSA-N 338.403 4.378 0 1 EIAF CC1(C)C[C@]2(C)O[C@H]2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536895 YAHYHOQEVMTUIQ-HLAWJBBLSA-N 326.436 4.247 0 1 EIAF CCOC(=O)Cc1c(-c2ccccn2)[nH]c2c(C)cc(Cl)cc12 587627244 QRFFGGKBDDVVRX-UHFFFAOYSA-N 328.799 4.297 0 1 EIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccc1F 587629492 SGCFAZJGTKMRIH-UHFFFAOYSA-N 349.720 4.117 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)s1 587872553 MZVZQRSJLJMUNZ-UHFFFAOYSA-N 330.384 4.146 0 1 EIAF CC[C@H](O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1-c1cn[nH]c1 1772611344 SAUMCUQQDUAVFI-XOBRGWDASA-N 349.434 4.011 0 1 EIAF CCCC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857570860 PKQYADKRCLSKMX-GOSISDBHSA-N 330.815 4.414 0 1 EIAF C=CC(=O)N(Cc1cc(C)no1)c1cc(-c2ccccc2O)cs1 1857581944 PMTDYXIQRYHQNK-UHFFFAOYSA-N 340.404 4.136 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C=C4OC(=O)C=C4[C@H](C)[C@H]3CC[C@H]12 2356368561 MKJJWVLPTZDSTH-MAQIEUTKSA-N 344.451 4.015 0 1 EIAF CCC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@]12O 2356665783 NLCYQGGPCKLRKG-SKRQURTPSA-N 346.467 4.122 0 1 EIAF COC(=O)C1=C(C)[C@H]2CCc3cc(C(C)(C)O)ccc3[C@]2(C)CC1 2356766721 XYNIRRMXUOEHCW-DYESRHJHSA-N 328.452 4.017 0 1 EIAF Cn1c2c(c3cc(Cl)ccc31)[C@H](CNC(=O)C1CCC1)CCC2 13777836 PFTKAFXUIIUTHV-ZDUSSCGKSA-N 330.859 4.168 0 1 EIAF Cc1nc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)cs1 14964180 REUVMANHNAXNOC-UHFFFAOYSA-N 337.861 4.259 0 1 EIAF O=C(Nc1ccccc1F)c1cccc2[nH]c(-c3ccncc3)nc12 28356657 FWCHLIPMYASIFN-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF CC[C@@H](C)/C=C(\C)C1=Cc2cc3cc(OC)c(=O)oc3c(O)c2CO1 34733595 VIUBUJAFNAMIAH-GGQLTLKSSA-N 342.391 4.371 0 1 EIAF Cc1c(C)n(C[C@H](O)CSc2ccccc2O)c2ccccc12 84688136 FGXUPLBTGJHVGS-HNNXBMFYSA-N 327.449 4.117 0 1 EIAF Clc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 95605906 MHTAXFVHQJWURX-UHFFFAOYSA-N 345.840 4.052 0 1 EIAF O=C(Nc1ccc(CN2CCCCC2)cc1)c1c[nH]c2ccccc12 96914940 ZLKPKHVYKRHELI-UHFFFAOYSA-N 333.435 4.406 0 1 EIAF O=c1nc(-c2c(Cl)cccc2Cl)on1-c1ccc(Cl)cc1 103200150 ONFBSTKHXMXTBZ-UHFFFAOYSA-N 341.581 4.453 0 1 EIAF CC(=O)Nc1nc(C)c(-c2csc(NC3CCCCC3)n2)s1 140034613 QJYUHPGRNQQGGG-UHFFFAOYSA-N 336.486 4.278 0 1 EIAF CCC(=O)N[C@H]1CCCc2c(-c3ccc(F)c(Cl)c3)cncc21 205707017 OKWHVLQKGYSJER-KRWDZBQOSA-N 332.806 4.445 0 1 EIAF Cc1coc2c1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)CC(C)C)[C@@H]1C)C2=O 238752597 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IJJPCRUUWNTUHR-JTQLQIEISA-N 334.345 4.195 0 1 EIAF COC(=O)Nc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587244015 VGJYNGPJDIZUOV-UHFFFAOYSA-N 337.166 4.110 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccnc3)ccc1O)O2 587394613 JBIBGQGHQSMKJF-FQEVSTJZSA-N 346.386 4.051 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)ccc4C1)[C@@H](C2)C3=O 587422544 QOUDLNDQKSMGKI-OXJNMPFZSA-N 340.806 4.024 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4c(C)ccc(C)c41)[C@@H](C2)C3=O 587446221 BBVRIAYSESJHNC-HTAPYJJXSA-N 334.415 4.291 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(F)c1OC)CC2=O 587466215 MMTDQHHGEXNARI-QGZVFWFLSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC)nc1C1CC1)CC2=O 587477923 VYSWJSXJIBHIKF-SFHVURJKSA-N 340.423 4.145 0 1 EIAF Cc1cc(Cl)cc2c(S(C)(=O)=O)c(-c3cccc(F)c3)[nH]c12 587624783 RFVNSISOWWEALU-UHFFFAOYSA-N 337.803 4.339 0 1 EIAF CC[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587772536 OFVBOKBZLOEZIX-APPDUMDISA-N 349.247 4.171 0 1 EIAF CCCCCNC(=S)n1nc(-c2cccc(F)c2)cc1OCC 587872515 MBJIJBFEBPZPIM-UHFFFAOYSA-N 335.448 4.001 0 1 EIAF CCCN1[C@H](c2cn(C)nc2-c2ccncc2)c2ccccc2C[C@H]1C 963230214 PAIFNXPWGXCJNK-ZHRRBRCNSA-N 346.478 4.228 0 1 EIAF O=C(Cn1cnc2ccccc21)Nc1ccc(-c2ccsc2)cc1 1772577075 OXPUFIMVKIMHDU-UHFFFAOYSA-N 333.416 4.404 0 1 EIAF O=C(Nc1c[nH]c2ncc(-c3ccc(F)cc3)cc12)c1cccnc1 1857554392 CJQKQUFFJSUNOK-UHFFFAOYSA-N 332.338 4.016 0 1 EIAF CCCCC[C@H](O)C=CC=CCCCC[C@H](CCC(=O)O)NCC 2356353092 HZOZPLSYGFJABL-MOPGFXCFSA-N 339.520 4.443 0 1 EIAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@H](N)C2 2356775724 QGIOCPSTZPMMEK-AQFHFAHGSA-N 343.511 4.416 0 1 EIAF CC(=O)Nc1cccc(-c2csc([C@@](C)(O)c3ccccc3)n2)c1 61904169 VLSZGMOQSDFBDC-IBGZPJMESA-N 338.432 4.024 0 3 EIAF COc1ccc2nc(Nc3nnc(-c4ccc(F)cc4)o3)sc2c1 4137752 NFRUCNBJUBGBMX-UHFFFAOYSA-N 342.355 4.238 0 1 EIAF CN1CCCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1 13532236 FALNVJOEUBWZEU-UHFFFAOYSA-N 345.899 4.199 0 1 EIAF O=C(O)COc1ccc2c(-c3ccc(Cl)cc3)noc2c1Cl 27438225 KSQRGWNVFAVYTB-UHFFFAOYSA-N 338.146 4.265 0 1 EIAF CC(C)c1ccc(O[C@](C)(Cc2ccc(Cl)cc2)C(=O)CO)cc1 27525375 LBVCUGNERBKWRS-HXUWFJFHSA-N 346.854 4.405 0 1 EIAF CCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 29311912 UVBNYVYRLVXIFP-QJWSLKCCSA-N 345.490 4.455 0 1 EIAF Clc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl 38214407 PUZILSCHNRFUBL-UHFFFAOYSA-N 340.254 4.044 0 1 EIAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1 58501965 FGXZPRXFLNGHFB-BDKRGJGYSA-N 349.474 4.475 0 1 EIAF O=C(O)COc1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1 169342550 URXBCMAUUVGKAM-UHFFFAOYSA-N 329.739 4.125 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCC[C@H](N)C3)cc12 226059130 SHNSWJMXXCDMNG-JSGCOSHPSA-N 339.414 4.363 0 1 EIAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@@H]1OC(=O)CC(C)C 238783756 SIUAVQRZOGXWGS-IEZWGBDMSA-N 348.483 4.446 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)cc3[nH]2)cc1 586889952 OGCGRWZMPYIUKV-BDJLRTHQSA-N 345.240 4.471 0 1 EIAF Oc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc2c1CCCC2 586897584 GDWNZVWCXBUSMQ-UHFFFAOYSA-N 344.317 4.136 0 1 EIAF Cc1ccc2c(ccc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc32)n1 586903046 GJJAMFBGYZXNQX-OAHLLOKOSA-N 333.391 4.358 0 1 EIAF Oc1ccc(C2(c3nc4cccc(Cl)c4[nH]3)CCOCC2)cc1 586912110 DYGOHMWAWSYRCS-UHFFFAOYSA-N 328.799 4.018 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4C)-c1ccccc1C2=O 587100644 NGJIATWEMAUYPT-GFCCVEGCSA-N 327.383 4.373 0 1 EIAF Cc1ccc2c3c(cc(C4=COCCO4)nc13)-c1ccccc1C2=O 587102579 XYPPJXKBQOONSX-UHFFFAOYSA-N 329.355 4.100 0 1 EIAF N[C@@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587155166 IHQAIPQYPNOUFZ-HWPZZCPQSA-N 336.197 4.350 0 1 EIAF Cc1cncc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587224797 HLCFPDOXYOMJEL-HNNXBMFYSA-N 330.432 4.022 0 1 EIAF C[C@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351832 HLXVUKJMBFTCMF-AZUAARDMSA-N 326.367 4.449 0 1 EIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3C[C@H]32)[C@@H]1c1ccc(F)cc1 587356181 ZCTLFKFTHDSKLO-OHRXKNJKSA-N 338.378 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCC[C@H](C(F)(F)F)C1)O2 587383535 SPPDLSCKPNASNF-JRPNMDOOSA-N 327.346 4.280 0 1 EIAF COCCC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587384507 LLZDATSKPBXSEU-HXUWFJFHSA-N 343.398 4.004 0 1 EIAF CC[C@@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2O1 587415305 ZSTFORATGRXMCX-SFTDATJTSA-N 337.419 4.389 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccc(C)cc41)[C@@H](C2)C3=O 587438685 PWUJVSDIYHJARS-AOMKIAJQSA-N 345.398 4.074 0 1 EIAF CCCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587439526 BJPGHAJZIOYVFU-DYESRHJHSA-N 338.403 4.363 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C(C)C)c4ccccc41)[C@@H](C2)C3=O 587448139 ZBWHJFDQZNLZJZ-ZJBJCVSYSA-N 334.415 4.481 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-n3cccn3)c1)CC2=O 587474256 DLJZEBMWKYDBQM-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C(C)(C)C)c1)CC2=O 587475359 MUDZRDZMQOPFJC-QGZVFWFLSA-N 328.412 4.003 0 1 EIAF Cn1cc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2n1 587517392 MLSGTCFREMUOIP-JOCHJYFZSA-N 346.430 4.333 0 1 EIAF CCOC(=O)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521007 CGAGOSFMIHVITD-LAUBAEHRSA-N 342.435 4.023 0 1 EIAF CC(C)(CC(=O)O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528924 GTGCRLCSDOWIGL-HXUWFJFHSA-N 330.424 4.180 0 1 EIAF CCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658129 HJCGPJQVYQOFFY-UHFFFAOYSA-N 338.382 4.423 0 1 EIAF CN1C(=O)C[C@@H]2CN[C@H](c3ccccc3-c3ccco3)c3cccc1c32 963017574 CYAFQBDURCOGEP-JLCFBVMHSA-N 344.414 4.089 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCCN(C(=O)OCC)CC2 963228222 LDRQSFWLFYGLPJ-DYESRHJHSA-N 344.499 4.181 0 1 EIAF COc1ccccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772599365 SDNNAYNQLACNRA-INIZCTEOSA-N 341.338 4.096 0 1 EIAF CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 3814222 XWAFYFQOGKPZHP-UHFFFAOYSA-N 336.479 4.061 0 1 EIAF COc1cc2[nH]c(-c3ccccc3)c(C)c(=O)c2cc1-c1cnco1 13487582 LICSERVEPAYHPU-UHFFFAOYSA-N 332.359 4.167 0 1 EIAF CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc21 13678303 YUJSONAJEJFLQC-UHFFFAOYSA-N 348.446 4.122 0 1 EIAF COc1ccc(-c2ccc(C(N)=O)cc2)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 27848980 NNHAPWOEXKWSIB-IRWQIABSSA-N 337.419 4.029 0 1 EIAF Cc1cccnc1N1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2 28713269 GLYOBTMIDBTEEP-DKENDCILSA-N 328.481 4.012 0 1 EIAF CN(Cc1ccccc1)C[C@@H](O)[C@@H](c1ccccc1)c1ccc(F)cc1 39245438 FKZDTLIZCQLJNS-PKTZIBPZSA-N 349.449 4.451 0 1 EIAF Cc1ncoc1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 43207733 GTRIRKWLHVGYGS-IAGOWNOFSA-N 337.250 4.154 0 1 EIAF Cc1ccc(C(=O)CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 73140275 NREUAVWTRIMDQC-WEVVVXLNSA-N 348.229 4.314 0 1 EIAF CSc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 96285107 YMGVAQJVRWNYMA-UHFFFAOYSA-N 337.492 4.402 0 1 EIAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1=O 169720240 VZDCHEBCDWQLCF-WYRIXSBYSA-N 346.398 4.412 0 1 EIAF COc1cc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1C 199943149 AAEQOEWNLYRLBL-UHFFFAOYSA-N 347.480 4.347 0 1 EIAF Cc1cc(Br)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1CC(=O)O 238738348 ZRKOMWKJSAHJFB-DQYPLSBCSA-N 337.257 4.462 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@H]1OCC2=O 253849552 COHCBZXNSQMOML-NPDDRXJXSA-N 340.463 4.422 0 1 EIAF CC(=O)Cc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586991574 PDNZTDMCVSEAJY-UHFFFAOYSA-N 345.398 4.407 0 1 EIAF Clc1cccc(-c2cc(-c3nc4cc5[nH]ncc5cc4[nH]3)n[nH]2)c1 587068206 LTPWJIAXOAPICJ-UHFFFAOYSA-N 334.770 4.150 0 1 EIAF Cc1ccc(/C=C\c2nc3ccc(Br)nc3[nH]2)cc1F 587146268 GSARZTPJKFWHLQ-DAXSKMNVSA-N 332.176 4.338 0 1 EIAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587244690 RPGPKMXQKPXSSJ-UHFFFAOYSA-N 342.196 4.117 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cc(F)ccc3o1)O2 587384325 JXWTVIFJXKULRM-LJQANCHMSA-N 325.339 4.343 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(F)cc1F)[C@@H](C2)C3=O 587423002 HPMSZEQXYWZCED-DYZYQPBXSA-N 336.721 4.116 0 1 EIAF COc1cccc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504261 IHBPGSBGJZMYOM-SFHVURJKSA-N 326.367 4.420 0 1 EIAF CC(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513653 SYNOZGQOJMKPLI-QFIPXVFZSA-N 349.430 4.404 0 1 EIAF COc1cc(C)ccc1OCc1nc2ccc(OC(C)C)cc2[nH]1 587564182 MRLZDLNDYPRACT-UHFFFAOYSA-N 326.396 4.246 0 1 EIAF CC[C@@H](C)c1ccc2[nH]c(-c3ccnc(OC)c3)c(CC(=O)O)c2c1 587644568 ZYNPONPPMZIIES-GFCCVEGCSA-N 338.407 4.379 0 1 EIAF CO[C@H](C)COC1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 587952282 OAQUREHREDMXOJ-WLYUNCDWSA-N 339.439 4.189 0 1 EIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587952642 VAYQBVIMKYOJIG-XUWXXGDYSA-N 343.471 4.311 0 1 EIAF COc1nccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955816 QBJJAZPCJYZCAH-KRWDZBQOSA-N 329.403 4.341 0 1 EIAF Oc1nc2cc3nc(/C=C/c4cccc5ccccc45)[nH]c3cc2[nH]1 587969120 QKGLCCYTMIVEJO-CMDGGOBGSA-N 326.359 4.468 0 1 EIAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1)C2=O 1772584853 WMBGIGHKKWCSNQ-QHCPKHFHSA-N 349.474 4.292 0 1 EIAF c1ccc(-c2nc(C3CC3)cc([C@@H]3COC4(CCCCC4)O3)n2)nc1 1857558764 YKRYIAXIZOEBJH-SFHVURJKSA-N 337.423 4.164 0 1 EIAF CCO[C@]1(c2ccccc2)c2cc(Cl)ccc2NC(=S)N1C 1857577968 KKRIIQWMMUVKTF-QGZVFWFLSA-N 332.856 4.220 0 1 EIAF CCCOc1cc(NC(C)=O)nc(S[C@@H](C)c2ccccc2)n1 1857771154 LBBZLRSTZZXWIO-LBPRGKRZSA-N 331.441 4.077 0 1 EIAF COc1ccc([C@H](Nc2cccc3ccccc23)P(=O)(O)O)cc1 1857774671 BJVCZHODCCQPKL-GOSISDBHSA-N 343.319 4.137 0 1 EIAF Cc1cc(Br)c([C@]2(C)CC[C@H]3C[C@]32C)cc1CC(=O)O 2356433942 ZRKOMWKJSAHJFB-AFAVFJNCSA-N 337.257 4.462 0 1 EIAF COc1ccccc1CNc1cc(-c2ccccc2Cl)ncn1 4239202 XGWHQWZKOFLFFB-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(CO)[C@H]3CC[C@]12C 13823522 SHRUZOYPFWLBFR-HXIANDDZSA-N 332.484 4.243 0 1 EIAF OCc1cccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)c1 28564066 VSUBTSHXVQUZCL-UHFFFAOYSA-N 327.387 4.298 0 1 EIAF CCCc1ccc(S(=O)(=O)c2cc(O)c3ccccc3c2O)cc1 40834086 BCECDLBGKYFWCS-UHFFFAOYSA-N 342.416 4.036 0 1 EIAF in-vivo COc1ccc2c(c1)[C@H](CCNC(C)=O)[C@H](Cc1ccccc1)CC2 40916753 JRFAYRRRAZMFGT-PZJWPPBQSA-N 337.463 4.110 0 1 EIAF O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccncc1 82157057 MAHGJNVXUZHBEQ-UHFFFAOYSA-N 343.386 4.247 0 1 EIAF Nc1nc(N)c2cc(NCc3ccc4ccccc4c3Cl)ccc2n1 169344361 XLUJPXIARGLECB-UHFFFAOYSA-N 349.825 4.213 0 1 EIAF COc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895292 WDJPNWLZYCJSAL-UHFFFAOYSA-N 330.387 4.398 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2cc(Br)ncc2[nH]1 587067084 MXIWBGGSAVQIJQ-UHFFFAOYSA-N 337.608 4.083 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(O)cc1Cl)O2 587376896 VDDXUNJMGRHULK-AWEZNQCLSA-N 338.190 4.296 0 1 EIAF COc1ccccc1C[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398277 DQACLHPIYXHCGQ-NRFANRHFSA-N 339.435 4.189 0 1 EIAF COc1ccc([C@H](C)[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403640 PFYGBMDTDXRDOY-RNODOKPDSA-N 325.408 4.113 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1 587570927 MUCYDBAGIMUSJW-XLIONFOSSA-N 336.318 4.234 0 1 EIAF Cc1cnccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772657 FOQSEIHQIXLEMM-APPDUMDISA-N 349.247 4.089 0 1 EIAF C[C@H](O)CCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587826345 AIFBHLYGWOLUEO-SUNKGSAMSA-N 344.268 4.105 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1C 587870922 VPFHBRYFTCYLDS-UHFFFAOYSA-N 338.382 4.279 0 1 EIAF COc1cc(F)c2c(c1)[C@]1(CCC2)NCCc2c1sc(C)c2C 963034047 XEJJUURZSWZACX-IBGZPJMESA-N 331.456 4.238 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1ccccc1)C(=O)O 963232074 CJFLIZGGUWBTRE-VGSWGCGISA-N 337.463 4.256 0 1 EIAF CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCC2 1772586188 PVXOKBVXKIEVAD-UHFFFAOYSA-N 328.437 4.146 0 1 EIAF CC(C)(C)NC(=S)Nc1ncccc1OCc1cccc(Cl)c1 1857630160 KABNJGCIBDEPPF-UHFFFAOYSA-N 349.887 4.399 0 1 EIAF CCC=C[C@H](CC)CC=C[C@](O)(CC)C[C@@H](CC)[C@H](O)CC(=O)O 2356809228 AORDPECMLXDOLO-JRBPQWBISA-N 340.504 4.318 0 1 EIAF O=C1C=C/C(=C2/Nc3ccccc3N2Cc2ccccc2Cl)C=N1 104018206 LRDBDVSBVNSJRG-CPNJWEJPSA-N 335.794 4.151 0 3 EIAF CCCCCCSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)C 13533072 WNOVRIVBMAIXOK-UHFFFAOYSA-N 346.500 4.456 0 1 EIAF CCC[C@@H](CC1(C(=O)Nc2cccc(CC)n2)CCCC1)C(=O)O 35965436 XQGIVVYXGDZTKU-AWEZNQCLSA-N 332.444 4.034 0 1 EIAF Cn1c(-c2ccc(Cl)cc2)nc2c(NC3CCCC3)ncnc21 38237727 XNLCDPPTEOMPBB-UHFFFAOYSA-N 327.819 4.038 0 1 EIAF O=C1Cc2ccccc2N1CCCCN1CCC[C@H](c2ccccc2)C1 40422492 ZKPFKNIFSQQQET-NRFANRHFSA-N 348.490 4.236 0 1 EIAF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)cc1CC=C(C)C 59587511 APTIMVGBTQSTFO-UHFFFAOYSA-N 340.419 4.431 0 1 EIAF biogenic,in-vitro COC(=O)C/C=C/[C@H](C)[C@@H](OC)c1cc(F)ccc1Br 72120048 RPBLHNKNTOKICO-MBUKXHMDSA-N 345.208 4.031 0 1 EIAF O=c1[nH]c2ccc(Cl)cc2c2[nH]c(-c3ccccc3Cl)nc12 96270728 DSKHNDVPASXXTC-UHFFFAOYSA-N 330.174 4.378 0 1 EIAF COC(=O)[C@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(-c3ccccc3)s1)O2 101501465 DGHBKKBHNLJPGA-BASYENTBSA-N 328.433 4.239 0 1 EIAF CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 141446023 YUEVEZWXYBGVTF-VOBQRVPSSA-N 345.527 4.301 0 1 EIAF O=C(Nc1cc2cnc(-c3ccccc3Cl)c(O)c2cn1)C1CC1 144320376 MVVHOSDTUNMJDA-UHFFFAOYSA-N 339.782 4.004 0 1 EIAF CCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169318496 JTVHQWNUCRXUJU-QWZOMWNOSA-N 336.472 4.414 0 1 EIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CC/C(C)=C\CC1 169354731 FAEJVRZJKQNLJF-JJUYAFCESA-N 331.500 4.343 0 1 EIAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(O)cc4O)coc23)O1 238769772 OAXGEVHOTKTLTP-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF Cc1ccc2nc(-c3c(-c4ccccc4)nc4ncccn34)[nH]c2c1 473151870 RXBJJYBMLDPSHE-UHFFFAOYSA-N 325.375 4.248 0 1 EIAF Brc1cncc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586882704 AFXNHPHYTYUCNZ-YPIXOSSWSA-N 332.245 4.188 0 1 EIAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587238345 CJQGMTRMCSSCBV-UHFFFAOYSA-N 334.301 4.048 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1OCC1CC1)O2 587384433 DCIUSBXLMXVGIA-IBGZPJMESA-N 341.382 4.212 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(s1)CCCC4)[C@@H](C2)C3=O 587450109 DKYCZDPTCUHIIK-VBKZILBWSA-N 340.444 4.298 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(N)c(F)c1)CC2=O 587464838 BBHBBQZJQUMAFF-IBGZPJMESA-N 347.361 4.086 0 1 EIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ncco1)CC2=O 587487277 FCXDMHXAJSPNRU-OAQYLSRUSA-N 349.386 4.242 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)CCCCC(=O)O)CC2=O 587490802 RSFNMFPXMRCOJX-RBZFPXEDSA-N 348.439 4.350 0 1 EIAF CCOC1=C[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587799146 ANUILMASIKIHBH-QFYYESIMSA-N 340.236 4.032 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3cncc(C)c3[nH]2)cc1 587938145 TWLZRMQCANBXSH-IBGZPJMESA-N 329.403 4.455 0 1 EIAF COc1cccc(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1 1772620629 YMHGTWHQCCXOTE-UHFFFAOYSA-N 333.313 4.021 0 1 EIAF O=S1(=O)C=Cc2cccc(Nc3ccc(Cl)c(Cl)c3)c21 1772639221 RMJKHMJHXLSCID-UHFFFAOYSA-N 326.204 4.495 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C=C4OC(=O)C=C4[C@H](C)[C@H]3CC[C@@H]12 2356368558 MKJJWVLPTZDSTH-AXOHDCGISA-N 344.451 4.015 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@@H]12 2356543707 RXSCXEUVYFNQRS-DKIXSGTJSA-N 330.424 4.078 0 1 EIAF COc1cc(C)cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c1 2356854278 RNHGITMMGIIZNJ-LJQANCHMSA-N 328.408 4.179 0 1 EIAF Nc1nc(N)c2c(CSc3ccccc3-c3ccccc3)coc2n1 5974815 OTFBLYFHZNVBDO-UHFFFAOYSA-N 348.431 4.347 0 1 EIAF Cc1coc2c1C[C@]1(C)[C@@H](C)CCC[C@@]1(OC(=O)CC(C)C)C2=O 14453013 VQTCRCOTOAXTFE-VHKYSDTDSA-N 332.440 4.481 0 1 EIAF biogenic CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 16082003 OWGJQNXIWMMDTH-CIAFKFPVSA-N 339.479 4.087 0 1 EIAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CCC(F)(F)F 26652392 JVDYHGRJOLGWFV-KSZLIROESA-N 339.401 4.403 0 1 EIAF O=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)cc1 27561594 VCTATRKPLVLDTR-UHFFFAOYSA-N 333.863 4.307 0 1 EIAF ClC1=C[C@@H](CCC=C(Br)Br)OCC1 28821708 ONSYGOWQDJPBGX-MRVPVSSYSA-N 330.447 4.309 0 1 EIAF OCCC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 45300165 UDRYKCHJHRTSJP-NRFANRHFSA-N 337.463 4.022 0 1 EIAF CC(C)=CCC/C(C)=C/COCc1cn(-c2ccc(O)cc2)nn1 66078525 PDEDCEXNFALFMG-LFIBNONCSA-N 327.428 4.182 0 1 EIAF C[C@@H]1CCCC[C@H]1OC[C@H](O)Cn1c2c(c3c1CCCC3)CCCC2 72139645 PKBWVJIIQVNWAZ-DRSNIGMVSA-N 345.527 4.202 0 1 EIAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc(C)cc1 73197946 GBDCCDOMYQOJJC-OAQYLSRUSA-N 330.387 4.387 0 1 EIAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)nc1 113898709 MWKNDWLOLXYLPG-UHFFFAOYSA-N 331.375 4.463 0 1 EIAF CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC(C)C)[nH]c1=O 169352238 YLLFITRMRCSBNH-JTQLQIEISA-N 338.423 4.263 0 1 EIAF C/C=C(/C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C\C=C/C(=O)O 238787742 KNDPLJZJPQWOMQ-UNDVITHKSA-N 330.468 4.365 0 1 EIAF Cc1ccc(OC(=O)[C@H]2[C@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 253639377 FGXZPRXFLNGHFB-ZDFPQIBNSA-N 349.474 4.475 0 1 EIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](O)[C@]4(C)CC[C@H]32)C1 255255744 OQHMNEGOKQMOFM-HFYYJUFZSA-N 332.484 4.242 0 1 EIAF CC(C)CC(=O)C[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 299820220 CRIBAFCISJZAOF-OAQYLSRUSA-N 338.403 4.405 0 1 EIAF Cc1ccc(-n2nc(C)c3c2CC(C)(C)CC3=O)c(Br)c1 299831145 NQJOKWLIXAPJRW-UHFFFAOYSA-N 347.256 4.407 0 1 EIAF Brc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cn1 586903780 MYQGFCIXRNYMAG-UHFFFAOYSA-N 342.196 4.252 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cs1 587021044 HAGSCXAOBXKWLF-UHFFFAOYSA-N 326.812 4.419 0 1 EIAF CCc1cc(OCc2nc3cccc(C(=O)OC)c3[nH]2)ccc1Cl 587052711 JEHGQLORLNRGDM-UHFFFAOYSA-N 344.798 4.144 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCO3 587062233 OOTYEHOTRFXDCR-CYBMUJFWSA-N 330.771 4.475 0 1 EIAF FC(F)(F)[C@H]1C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587093536 OFTQFRVJZKANNS-IMJSIDKUSA-N 340.530 4.040 0 1 EIAF Cc1cc(F)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 587114305 SAEFQUBMDCAZMY-ZDUSSCGKSA-N 337.320 4.272 0 1 EIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587151882 WJIKZYLTTIVOBT-ZETCQYMHSA-N 343.255 4.395 0 1 EIAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)cc3[nH]1)O2 587173325 BNVPMRPPRKBYJU-CQSZACIVSA-N 333.160 4.141 0 1 EIAF Nc1ccc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)cc1 587251216 CDFDEJIQKQNVIZ-UTCJRWHESA-N 332.176 4.217 0 1 EIAF COc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401345 WKGNPYHZLQEGDD-LJQANCHMSA-N 333.387 4.446 0 1 EIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1SC 587411015 XABDEFOWKKMGME-OAHLLOKOSA-N 329.421 4.014 0 1 EIAF COc1ccc2c(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)oc2c1 587414607 WKYLRXGZZJNDPI-SFHVURJKSA-N 337.375 4.347 0 1 EIAF O=C1C[C@H](c2cncc3cnccc23)Oc2c1ccc1c2CCCC1 587515777 RGMIOBVKRVKTLX-HXUWFJFHSA-N 330.387 4.215 0 1 EIAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587529233 LYIKOBVJOHFEHZ-KCHGYLQPSA-N 340.463 4.086 0 1 EIAF C=C=C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601080 QPVFARHYMKXPHX-UTKZUKDTSA-N 336.387 4.480 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(C)cc4[nH]1)(C3)C2 587951726 YYSJHDUKIKIBIG-XBLGPDGASA-N 338.451 4.333 0 1 EIAF CCC[C@]1([C@H](CC)C(=O)OC)c2cc(OC)ccc2CCN1C(C)C 962094814 XQVASTKSNMQWQE-NQIIRXRSSA-N 347.499 4.156 0 1 EIAF O=C(c1ccc(O)cc1)[C@H]1c2ccsc2CCN1Cc1ccco1 962716535 ZGBJZYJGYAIBNE-GOSISDBHSA-N 339.416 4.029 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(OC)c2c(c1)OCO2 963237157 HFVAKHLOQYWIHV-XOBRGWDASA-N 339.435 4.170 0 1 EIAF CC(C)(C)c1ccc(-c2noc(-c3ccc(C4=NCCN4)cc3)n2)cc1 1857550258 ZPCDDQMEBRVGLE-UHFFFAOYSA-N 346.434 4.051 0 1 EIAF C[C@@]12CC3CC(NC(=S)NCCc4ccccc4)(C1)C[C@](C)(C3)C2 1857752127 ZXDSHZKXIPUMKR-DLIHROTGSA-N 342.552 4.442 0 1 EIAF COc1ccc([C@@](C)(O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 61929990 RQGAZZNLHIEIQR-GOSISDBHSA-N 347.386 4.353 0 3 EIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Cl 19461 UMHDNWCECBYHIF-UHFFFAOYSA-N 348.811 4.104 0 1 EIAF Clc1ccc2[nH]ccc2c1N1CCN(Cc2ccccc2)CC1 26580242 IRFLVVGRMBDQSJ-UHFFFAOYSA-N 325.843 4.144 0 1 EIAF in-vivo Clc1ccc(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)cc1 28456369 RHXPHVFRQIPISP-UHFFFAOYSA-N 333.782 4.045 0 1 EIAF C[C@@H](O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801346 YNZAQRSPHOQQKX-SUSDNWFNSA-N 347.543 4.093 0 1 EIAF C[C@@H]1CC[C@@H](C)N1C[C@H](O)COC(c1ccccc1)c1ccccc1 40505393 PASGDOWIXPAUQU-OPYAIIAOSA-N 339.479 4.026 0 1 EIAF Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 40954256 PXTOBFKTYOPTQD-UHFFFAOYSA-N 339.445 4.180 0 1 EIAF CCCCc1ccc(NC(=O)Nc2ccc3c(c2)CCNCC3)cc1 45319279 HUFPWCUHJLEONZ-UHFFFAOYSA-N 337.467 4.361 0 1 EIAF CCCCC(=O)N(Cc1cccc(OC)c1)c1cccc(C(=O)O)c1 84668914 HHUULJUDLVFWPS-UHFFFAOYSA-N 341.407 4.117 0 1 EIAF CCO[P@@](=O)(NC1CCCC1)Oc1ccc(C(F)(F)F)cn1 96927533 CKKFOUPBMZYTLQ-QFIPXVFZSA-N 338.266 4.156 0 1 EIAF CC(=O)Oc1ccc(CCc2cc(O)cc(O)c2)cc1CC=C(C)C 138372647 ULZWZZSQPOWPSG-UHFFFAOYSA-N 340.419 4.317 0 1 EIAF O=C(c1ccc2ccccc2c1)c1cn(-c2cc(Cl)ccc2O)nn1 220580974 NYELLLWEGMRGIK-UHFFFAOYSA-N 349.777 4.011 0 1 EIAF COc1cc(Cl)ccc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226053453 QJBSSUGSOKGPLE-UHFFFAOYSA-N 341.842 4.359 0 1 EIAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@@H](C)N3)[C@@H]12 238764579 GEQKTSPOTKEYOG-SQKGXKJDSA-N 331.500 4.077 0 1 EIAF Cc1ccc(O)c([C@H](CCN(C(C)C)[C@@H](C)CO)c2ccccc2)c1 299853771 PSJCLNGNXFBYQI-AZUAARDMSA-N 341.495 4.314 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 586882520 WPIKNKDTKWRUHR-UHFFFAOYSA-N 346.430 4.370 0 1 EIAF FC1(F)Oc2cc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc2O1 586884240 OYGGONNTOGKZIA-YBIKONCISA-N 332.350 4.352 0 1 EIAF C[C@H](Sc1ncccn1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586962302 PQQMQYIRHCDKRS-QMMMGPOBSA-N 340.330 4.105 0 1 EIAF CCC1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)COC1 587100540 CLIBOCDCFMYBDO-UHFFFAOYSA-N 329.399 4.433 0 1 EIAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Cn1cccn1 587211538 SRHCAJPOQKVUTJ-UHFFFAOYSA-N 341.414 4.254 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cc1OC(F)F)O2 587381234 DHVKWVALGOPLFI-HNNXBMFYSA-N 337.297 4.024 0 1 EIAF Cc1cccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587388997 CRCRXSKHBKRWGL-HXUWFJFHSA-N 332.403 4.383 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(Cl)ccc4[nH]1)[C@@H](C2)C3=O 587421247 KXOQPICYRMNUMN-DJJJIMSYSA-N 339.778 4.319 0 1 EIAF CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1C 587453071 PALRTWIOJPUGTJ-VHJJRDLNSA-N 332.465 4.122 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587785760 ONFZKWJVXRPLBM-QZTJIDSGSA-N 346.430 4.385 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C=O)N1 587819447 MNWMTOKYSLHPNF-QGHHPUGFSA-N 348.215 4.024 0 1 EIAF Nc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1N 587955770 NTBBRPRZFDSNKV-MRXNPFEDSA-N 328.419 4.102 0 1 EIAF Cc1ccc(C)c(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 587958446 CQVCYYQFYCCVKU-UHFFFAOYSA-N 334.192 4.067 0 1 EIAF CCC(=O)[C@@]1(CC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640602 MEFOIYYDAWMFRN-NZQKXSOJSA-N 348.490 4.018 0 1 EIAF Cc1ccc(-c2noc(C)c2[C@@]2(C)NCCc3ccc(O)cc32)cc1 963340743 HSNWATRHFVAHHR-NRFANRHFSA-N 334.419 4.073 0 1 EIAF CCCCCC=CCC=CC=C[C@@H](O)[C@H](O)C=CCCCC(=O)O 2356829977 JCPDEYQXMPRZEG-RTBURBONSA-N 336.472 4.158 0 1 EIAF COc1cc2[nH]c(-c3ccc(C)c(C)c3)cc(=O)c2cc1-c1cnco1 13487593 NHCZTUMGCZNJIL-UHFFFAOYSA-N 346.386 4.476 0 1 EIAF O=C(NC1CCCCC1)Oc1cccc(-c2cccc(CO)c2)c1 13583501 CNUNNJIHZIBOQB-UHFFFAOYSA-N 325.408 4.267 0 1 EIAF Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1n[nH]nc1-2 27207471 NSDWPKPGOIXZEL-UHFFFAOYSA-N 329.190 4.130 0 1 EIAF CCCc1ccc(Oc2cc(NCc3ccccc3)nc(N)n2)cc1 27736537 AHVLLJOUILVGKK-UHFFFAOYSA-N 334.423 4.416 0 1 EIAF O=C(NCCc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1 28565097 COQMBZDAQWGIGH-UHFFFAOYSA-N 347.443 4.264 0 1 EIAF CCN(CC)CCNc1nc2c(Cl)c3ccccc3nc2s1 29131073 QKUWMCVMQYYZQT-UHFFFAOYSA-N 334.876 4.252 0 1 EIAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 29416713 QNMBJXHTULXJII-DRAPOSMRSA-N 345.527 4.399 0 1 EIAF C[C@H]1CCC[C@@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@H]3C(=O)O[C@H](C)[C@H]23)N1C 34802082 FMPNFDSPHNUFOS-IGVMKUIHSA-N 345.527 4.419 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 103885126 YDAVVXOXSSFVPF-BFTHUGQISA-N 348.483 4.273 0 1 EIAF O=C(O)c1ccc2c(c1)nc(NCc1cccnc1)c1ccsc12 117559562 QHXJAOLQHMYMJG-UHFFFAOYSA-N 335.388 4.155 0 1 EIAF Cc1c(Br)cc2nc(CCc3cccc(O)c3)[nH]c2c1C 586897266 XRUIGKSNTIAAJQ-UHFFFAOYSA-N 345.240 4.433 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C)c(C)c2[nH]1 586918699 ZROVWFHFKAPXJA-KKSFZXQISA-N 334.419 4.396 0 1 EIAF Cc1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 587032432 VGSGEDUWGMXTAH-UHFFFAOYSA-N 349.253 4.435 0 1 EIAF Cc1c(Br)cnc2[nH]c(-c3ccc(O)cc3Cl)nc12 587055398 QCSMGNVYKJLLSS-UHFFFAOYSA-N 338.592 4.055 0 1 EIAF Fc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2cc1Cl 587076852 XFLKFNAPZKGHMX-UHFFFAOYSA-N 348.168 4.257 0 1 EIAF Cc1nn(C)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099070 WQUZXNANOGYPEC-UHFFFAOYSA-N 339.398 4.464 0 1 EIAF Oc1ccc(Nc2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 587242941 ZYHQDJGMVSTZJN-UHFFFAOYSA-N 337.770 4.074 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4ncccc4C)C1)[C@@H](C2)C3=O 587435231 DUJNXTOQNDHIGK-AOSWFRPUSA-N 349.430 4.243 0 1 EIAF O=C1C[C@]2(CCc3cc(F)c(O)cc32)Oc2c1ccc1c2CCCC1 587509203 QSMLVNIHMWYOSE-NRFANRHFSA-N 338.378 4.217 0 1 EIAF CC(C)C1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600576 OMAHUASKTBQMIK-QGZVFWFLSA-N 326.392 4.405 0 1 EIAF Cc1cccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656205 HMOQOUNTDBWBFZ-UHFFFAOYSA-N 349.340 4.034 0 1 EIAF COc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Cl 587781121 PTCDGXVDELLAJU-YVMONPNESA-N 328.799 4.455 0 1 EIAF COC(C)(C)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797838 XROIHVMWQNTWMR-QFYYESIMSA-N 344.268 4.153 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587961960 HLILQPHFKAOGGW-GDBMZVCRSA-N 334.419 4.300 0 1 EIAF Nc1cc2c(cc1Cl)CC[C@]21c2c(F)cccc2C[C@H]2CCCN21 963094091 BKSNRELSPNDFJY-JLTOFOAXSA-N 342.845 4.272 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@]2(C)CC(=O)c1cccs1 963269682 LOLVDGGAKGZUIX-QGZVFWFLSA-N 335.856 4.044 0 1 EIAF COc1ccc([C@@H](C)C(=O)c2ccc(N3CCCC3)cc2)cc1OC 1857754392 XOWFRYMVSNBVIF-OAHLLOKOSA-N 339.435 4.290 0 1 EIAF COc1ccccc1O[C@H]1O[C@@H](Oc2ccccc2OC)[C@H](C)[C@H]1C 2356539947 HCNYKHWVAWXELI-FQZPYLGXSA-N 344.407 4.116 0 1 EIAF CN1C[C@H]2CC[C@@H]3[C@]4(C)CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C1 2356691916 BHQKVMLULBYHBA-QQEKQYBASA-N 328.544 4.208 0 1 EIAF CCNC(=O)[C@]1(C)CCCN(Cc2ccccc2-c2ccccc2)C1 61904836 KGDPRJFLSDOTOR-JOCHJYFZSA-N 336.479 4.092 0 3 EIAF CC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1 13607789 OTWYHKXYRABIHE-UHFFFAOYSA-N 341.238 4.150 0 1 EIAF CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccsc2)C1 29336341 LUQBYFOXFQWXND-KRWDZBQOSA-N 343.492 4.405 0 1 EIAF COc1cccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)c1 45190425 BBMFLQSMXBDQMW-UHFFFAOYSA-N 334.354 4.022 0 1 EIAF COc1cc(OC)c2c(OC(=O)c3ccc(Cl)cc3)ccnc2c1 45316433 GRHOVRHGPKIWOZ-UHFFFAOYSA-N 343.766 4.125 0 1 EIAF Cc1ccc([C@H](O)c2ncc(-c3ccccc3C(F)(F)F)[nH]2)cc1 82084106 SAWNXVLKBMGJBT-INIZCTEOSA-N 332.325 4.486 0 1 EIAF Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1 95581450 UEEDYBNIUXWFAP-UHFFFAOYSA-N 345.757 4.058 0 1 EIAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2)nc1 96173331 VOXORZXCZBZPJJ-UHFFFAOYSA-N 330.387 4.310 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 101812227 CSVCLUXIZUMABR-AERCQKQUSA-N 349.474 4.161 0 1 EIAF CCCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cccs1 101832591 KGISTPCBSYXKIQ-SXWSKBOKSA-N 332.429 4.011 0 1 EIAF Clc1ccccc1[C@@H]1OCCc2c1noc2CO[C@H]1CCCCO1 103179965 PGOTUIRGMIUINB-WMZOPIPTSA-N 349.814 4.033 0 1 EIAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1F 104115882 VLGFMESZSRCMPK-SCDSTIRESA-N 344.390 4.089 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@H]([C@@H]1[C@H]35)[C@H]24 169335113 STSPSSDQNNGSJA-XQBBIMTESA-N 340.555 4.005 0 1 EIAF C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727173 STCDNRHBHKPGBU-IYBDPMFKSA-N 339.313 4.162 0 1 EIAF Cc1cc(Br)c2[nH]c(C3(c4ccccc4O)CC3)nc2c1 586896387 DBXZNKIKUOKYQY-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014679 WRBRNXCGVPMEDA-UHFFFAOYSA-N 344.440 4.020 0 1 EIAF CSc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233905 WNRMIPBJNCLYLX-STQMWFEESA-N 347.484 4.446 0 1 EIAF Cc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587377950 QQPAQPAKJMHXTQ-MRXNPFEDSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C=O)cc1)(C1CCCC1)O2 587403967 BRJHYRPPFBLPNX-JOCHJYFZSA-N 349.430 4.441 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccn4)cc1)[C@@H](C2)C3=O 587436247 OWZGPIKMHFNRCU-HTAPYJJXSA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1OC)CC2=O 587460759 HTTBNYNSDASXAV-MRXNPFEDSA-N 347.798 4.108 0 1 EIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(F)c1O 587509905 YFVZOENJINFNGC-KRWDZBQOSA-N 342.366 4.125 0 1 EIAF CCC[C@]1([C@@H](CC)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587520667 APWSISVWTHWMOO-LAUBAEHRSA-N 344.451 4.269 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2)N1 587731914 MAGYRFXTDTWVCG-JDNHERCYSA-N 338.195 4.351 0 1 EIAF CC[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772052 NDPQJRFNFMIZOV-PIGZYNQJSA-N 349.247 4.171 0 1 EIAF CCCCC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813691 PDNNHCAFWFEDMC-QLJPJBMISA-N 342.252 4.097 0 1 EIAF COc1ccc(Nc2nccc3nc(-c4ccccc4)cnc23)cc1 653724752 LEZPQBWEYFVLLL-UHFFFAOYSA-N 328.375 4.444 0 1 EIAF Cc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2C)cn1 653762375 NEACOEPIYBXYBC-ZDLGFXPLSA-N 329.403 4.495 0 1 EIAF Cc1ccc([C@]2(Cc3ccccc3)NCCc3c(C)ccnc32)cc1 963070897 HQLYBZNEJSUUPK-QHCPKHFHSA-N 328.459 4.330 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cnn(Cc2ccccc2)c1 963107756 SOIDFVLHFNQYJR-UNMCSNQZSA-N 347.437 4.180 0 1 EIAF CSc1ccc([C@]2(C(C)C)NCCc3c(C(=O)O)cccc32)cc1 963126036 VPACMBABUPELLG-FQEVSTJZSA-N 341.476 4.152 0 1 EIAF Cc1ccc2c(C)c(C(=O)NCc3nc(C)c(C)s3)oc2c1C 14961185 JUIXRXTVJXVDNV-UHFFFAOYSA-N 328.437 4.361 0 3 EIAF CCc1c(-c2ccc(OC)cc2)ncn1CCc1ccccc1OC 198627755 MXULCDHEYXHJBN-UHFFFAOYSA-N 336.435 4.372 0 3 EIAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CSc1ccc(O)cc1)O2 13652081 YHAHRNRAZNFISF-IBGZPJMESA-N 329.465 4.386 0 1 EIAF COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(Cl)c3)c1C2 13677826 WVDRRFJDEHTKNN-UHFFFAOYSA-N 341.798 4.395 0 1 EIAF O=C(Nc1ccc2c(c1)CCC[C@@H]2O)c1cc2cc(Cl)ccc2[nH]1 14191542 MWAVJQBYHXNOOG-SFHVURJKSA-N 340.810 4.443 0 1 EIAF CC[C@@H](Nc1ncnc2c1ncn2-c1ccccc1)c1ccccc1 26727882 KOEVJHYBDHDPOK-QGZVFWFLSA-N 329.407 4.379 0 1 EIAF in-vivo COC(=O)C1=C(c2ccc(Br)cc2)C[C@H]2CC[C@@H]1S2 28385618 JIRFQBTTXOAYCT-YPMHNXCESA-N 339.254 4.044 0 1 EIAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1cc(Cl)cc(Cl)c1 28525386 UCKWWQJKSKXTDX-UHFFFAOYSA-N 341.223 4.012 0 1 EIAF O=C1NCCc2[nH]c(-c3ccnc(-c4cc5ccccc5s4)c3)cc21 28645433 AGSGAJGDMUMJNL-UHFFFAOYSA-N 345.427 4.244 0 1 EIAF O[C@H]1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 28826478 QSSJQRUIQVSAQK-XUKJQLKWSA-N 344.458 4.117 0 1 EIAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1Cc1cccnc1 45497431 LWXCPGHJKWJLOG-OAHLLOKOSA-N 339.247 4.163 0 1 EIAF O=c1c2cc(Br)ccc2sn1-c1ccc(Cl)cc1 72175139 FATJBOIZTIHXKI-UHFFFAOYSA-N 340.629 4.468 0 1 EIAF O=c1ccoc2ccc(OCc3ccc(Br)cc3)cc12 82153094 KQZUFMSIIAMVMP-UHFFFAOYSA-N 331.165 4.135 0 1 EIAF Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)o1 82219678 DSSXXPBZIZSZQM-UHFFFAOYSA-N 340.402 4.338 0 1 EIAF C[C@@H]1C[C@H](Cc2ccccc2)[C@@H]2CC3=C(C(=O)O)[C@@H](O)C[C@@]31C2(C)C 85549088 PYLONMJJKDMLCG-RPOQZOKWSA-N 340.463 4.063 0 1 EIAF biogenic,in-vitro CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118758285 WGPZAVZHAGYUOL-LLBAYELKSA-N 331.500 4.055 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C(=O)[C@@H]2C1 238751463 UVGNAGKHBDTENQ-KEDAEZEJSA-N 330.424 4.257 0 1 EIAF Cc1ccc2c(c1)-c1nc3cc(Br)ccc3n1CCO2 299862151 JGKQCAXGHCWBFD-UHFFFAOYSA-N 329.197 4.167 0 1 EIAF NC(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047741 BKGQAVDIKSSHDC-UWVGGRQHSA-N 346.217 4.240 0 1 EIAF CC(=O)c1ccc(-c2cc(-c3nc4c(N)ccnc4[nH]3)ccc2F)cc1 587139373 IAGJIUNFALXOEB-UHFFFAOYSA-N 346.365 4.216 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(Cl)cccc13)O2 587378437 CDQYCQKERJLMPV-INIZCTEOSA-N 326.783 4.418 0 1 EIAF Cc1cccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587388996 CRCRXSKHBKRWGL-FQEVSTJZSA-N 332.403 4.383 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1sc(C4CC4)nc1C)[C@@H](C2)C3=O 587452641 SCQPESHLZMMKGG-DJJJIMSYSA-N 341.432 4.000 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(C)(C)C)CC2=O 587474101 BAPNYAZBLIAFHF-QGZVFWFLSA-N 342.439 4.082 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(C)cc31)CC2=O 587494179 XQAXDWMVANUYGA-OAQYLSRUSA-N 336.387 4.420 0 1 EIAF COCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521670 DWSIWHRSEXQEDJ-HXUWFJFHSA-N 338.403 4.255 0 1 EIAF Cc1ccncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587774680 NTGKYDFIWJZFQO-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cnc2ccsc2c1 963046238 IQZXRKGXSPBLNV-LJQANCHMSA-N 347.443 4.088 0 1 EIAF C=[S@@](O)(=NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 1857585115 SJTBBMXHIAPEGN-QFIPXVFZSA-N 327.327 4.147 0 1 EIAF CN(CCc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 1857589672 ABGLNIBKKUQOIN-UHFFFAOYSA-N 340.430 4.371 0 1 EIAF Clc1ccc(C2=NO[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 13660366 ZTJDMMHGSOLVOA-HNNXBMFYSA-N 325.755 4.256 0 3 EIAF COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3 1646172 CLTWCRYMQAXOCP-DEOSSOPVSA-N 346.470 4.165 0 1 EIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(=O)oc3ccccc3c2s1 2456011 UONHZIIUICTLOM-BXUZGUMPSA-N 341.432 4.316 0 1 EIAF O=C(NCCCCc1ccccc1)c1ccc(C(=O)C(F)(F)F)cc1 28880535 VDOHNRGMJCFOTG-UHFFFAOYSA-N 349.352 4.184 0 1 EIAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@@H](F)c3ccncc3)c2c1 82152166 KPCVLACNFAKGBK-KRWDZBQOSA-N 336.370 4.190 0 1 EIAF CC[C@@H](Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251313 JLMKYNGLORSHHP-IBGZPJMESA-N 345.508 4.220 0 1 EIAF c1ccc(CCN[C@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169321571 DHJQRAFHBGXERD-AVRDEDQJSA-N 345.490 4.062 0 1 EIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@@H]2C1 238745685 HTJLAOAUYDTOJA-YLQQJSINSA-N 332.440 4.108 0 1 EIAF COC(=O)c1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cn1 587027580 VXJONNLEACPPBH-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF O=C(c1nc2cnc(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132833 ITUMYBCICXAGGG-UHFFFAOYSA-N 344.560 4.288 0 1 EIAF CSc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587154523 AASTXMDVWNTNFM-UHFFFAOYSA-N 338.205 4.248 0 1 EIAF Oc1cccc(Br)c1-c1cc2c3c(cccc3n1)CC2 587207006 ARUFBMDBNHAXOA-UHFFFAOYSA-N 326.193 4.469 0 1 EIAF CC(C)c1cc2c(O)nc(O)nc2nc1-c1cccc(C(F)(F)F)c1 587367983 DZSSMXQIJWBLML-UHFFFAOYSA-N 349.312 4.245 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-n3cccc3)c1)O2 587388937 BUZZIRXBIRSCLJ-OAQYLSRUSA-N 332.403 4.249 0 1 EIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N(C)C 587625271 FFMIPWVRXHIPPU-UHFFFAOYSA-N 338.251 4.216 0 1 EIAF COc1ccccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659893 IOQFDWLKCUSFQO-UHFFFAOYSA-N 346.361 4.200 0 1 EIAF O=C(c1cc2ccccc2cc1O)n1nc2cc1Oc1ccc(F)cc1-2 587873666 JZTUMKWCIYVBAN-UHFFFAOYSA-N 346.317 4.342 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3cc(F)cnc3[nH]2)cc1 587937946 RGOKGPGRZAQJEN-SFHVURJKSA-N 333.366 4.286 0 1 EIAF O=C1C=C2C=C(c3ccc4ccccc4c3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653698667 YJZHNDNHAPTWEL-XJUOHMSHSA-N 343.426 4.086 0 1 EIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(Cl)ccc3C2)cc1 1772647022 OUEYTBBGIGCUMS-AWEZNQCLSA-N 342.870 4.095 0 1 EIAF CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc21 1857548313 RWKVNMWWFYMFCH-UHFFFAOYSA-N 328.415 4.453 0 1 EIAF O[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCc2ccccc21 1857754928 GDVAWZMOQDMCNI-HSZRJFAPSA-N 329.443 4.445 0 1 EIAF C[C@H](O)CCCC=CC[C@@H](O)C=CC=CCC=CCCCC(=O)O 2356432090 PEFWBBUDWGQYCT-OALUTQOASA-N 336.472 4.158 0 1 EIAF CCOC(=O)c1cc(-c2csc(Nc3ccccc3Cl)n2)on1 123693 KRNFOZIERPWMDR-UHFFFAOYSA-N 349.799 4.372 0 3 EIAF CC(C)N1C(=O)COCc2ccc(-c3ccc(F)c(Cl)c3)cc21 74375313 VSQQJTALIOWOGF-UHFFFAOYSA-N 333.790 4.418 0 3 EIAF CCCC[C@H]1[C@H](OC(=O)OC)CCC[C@@]12CCCCN2C(=O)OC 28005362 YSENRDPXKUGFHX-DAYGRLMNSA-N 341.448 4.119 0 1 EIAF CCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712032 GXOBIXGHFWBEMM-UHFFFAOYSA-N 336.520 4.241 0 1 EIAF in-vivo Cc1cccc(Nc2nc(-c3ccncc3)c(CCCO)s2)c1 45259024 RMGATRZEEHDSFX-UHFFFAOYSA-N 325.437 4.182 0 1 EIAF O=C1c2ccccc2C(=O)N1c1cccc(CCc2ccccc2)c1 45299971 DJMIPAXALMXBNX-UHFFFAOYSA-N 327.383 4.272 0 1 EIAF COCc1c(OC)cc(=O)oc1/C=C/c1c(Cl)cccc1Cl 49785366 OJAQHGSUGFPQST-VOTSOKGWSA-N 341.190 4.272 0 1 EIAF Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)o1 82164524 MNCFMHMNLVXMHG-UHFFFAOYSA-N 338.386 4.236 0 1 EIAF COc1ccccc1CN[C@H]1[C@H]2CCN[C@]1(c1ccccc1)CC=C2C 95614759 HMCACXWESDLLOQ-PMVMPFDFSA-N 348.490 4.008 0 1 EIAF O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 96169331 JXGQKLMBTDWKCZ-WMZOPIPTSA-N 341.838 4.380 0 1 EIAF Cn1c(SCc2cccc(F)c2)nc2c3ccccc3nc-2c1O 100705161 IJMCVXPVTKONJP-UHFFFAOYSA-N 339.395 4.210 0 1 EIAF CCn1nc(C)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103168857 DHZKGXSQCPMNJG-UHFFFAOYSA-N 333.863 4.092 0 1 EIAF N=C1N[C@@H](C2CCCCC2)C[C@H]2CC[C@H](CCc3ccccc3)N12 103262063 UCGDMJQHYPEZDD-XUVXKRRUSA-N 325.500 4.329 0 1 EIAF C[C@H]1CC[C@@H](C)N1CCCC[C@](O)(c1ccccc1)c1ccccn1 253699274 TVMSYESYJXBYTC-JQVVWYNYSA-N 338.495 4.361 0 1 EIAF CC(C)C(=O)c1c(O)cc2c3c1O[C@@]1(C)CC[C@H]([C@H]3C1)C(C)(C)O2 473112315 COMRWAQJXJEENM-HTGLOVNISA-N 330.424 4.437 0 1 EIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586887891 JPVCUDJVIQHGLR-ZANVPECISA-N 336.222 4.410 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 586915466 DKEKNCAXBMGZQO-BUXKBTBVSA-N 342.345 4.058 0 1 EIAF Clc1ncc2nc(/C=C\c3cccc(Cl)c3Cl)nc-2[nH]1 587054630 PMBBXQFRKNFKAR-PLNGDYQASA-N 325.586 4.435 0 1 EIAF FC(F)(F)c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cn1 587083873 ACVDBSMIJDYKRV-UHFFFAOYSA-N 333.100 4.346 0 1 EIAF Cc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c(C)n1 587133629 WUVLHTNADNXCPK-UHFFFAOYSA-N 338.169 4.252 0 1 EIAF Fc1cc(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc(F)c1F 587138667 OWIWXYQKSVGIQQ-UHFFFAOYSA-N 345.246 4.179 0 1 EIAF Clc1ccnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587230723 XXMMKZOIPATZOX-UHFFFAOYSA-N 335.798 4.285 0 1 EIAF COc1ccc([C@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403420 LYHODLFBLWTDDP-NRFANRHFSA-N 339.435 4.493 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)cc1)CC2=O 587477756 IVRMMTNLVBVWIQ-MRXNPFEDSA-N 340.419 4.320 0 1 EIAF COc1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587523497 JIFQINSWNPVWBO-JOCHJYFZSA-N 334.415 4.381 0 1 EIAF Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600620 BLRSXQAPAGANKZ-WIYYLYMNSA-N 332.355 4.404 0 1 EIAF Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3cnn(C)c3C)[nH]c12 587624758 UOXFFFALKNZSLC-UHFFFAOYSA-N 337.757 4.286 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc32)N1 587818959 SZCNRGNOKGUMIV-ZMZPIMSZSA-N 346.243 4.312 0 1 EIAF COc1cc(C)ccc1-c1nc2ccc(F)c(Br)c2[nH]1 587925877 RUPRDIPLODWDPU-UHFFFAOYSA-N 335.176 4.449 0 1 EIAF Oc1ccc(-c2[nH]nc(NCc3ccco3)c2-c2ccc(O)cc2)cc1 653859648 GQOQEVHOAONHMR-UHFFFAOYSA-N 347.374 4.360 0 1 EIAF Clc1cc(Cl)c2c(c1)[C@]1(CCc3ccc4c(c31)CCO4)NCC2 963107147 LYLCKHADQXQZAU-IBGZPJMESA-N 346.257 4.264 0 1 EIAF O=C(c1cccc(Cl)c1)n1nnc2cc(Cl)c(Cl)cc21 1857568495 MZEKSAHESJTBJR-UHFFFAOYSA-N 326.570 4.080 0 1 EIAF CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@@H]2[C@]1(C)CC[C@@H](C(C)(C)NC=O)O1 2356431765 DODQPAWNEFWWQB-AGRFSFNASA-N 331.500 4.387 0 1 EIAF Cc1cc(=O)cc(C)n1-c1ccc2c(c1)nc(C)n2-c1ccccc1 4013515 GOCKUPKIXHXVBN-UHFFFAOYSA-N 329.403 4.102 0 3 EIAF CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccccc2)[nH]n1 61902415 ZJFIYSPEVPUWBQ-UHFFFAOYSA-N 339.370 4.257 0 3 EIAF CN(C)CCC/C=C1/c2ccccc2COc2ccc(C(=O)O)cc21 13455795 ARFFJDYERFVHNC-NVMNQCDNSA-N 337.419 4.051 0 1 EIAF CCCN1CCC(N2C(=O)Nc3ccccc3[C@@H]2c2ccccc2)CC1 13553575 LBJLKKZIYBTBFG-NRFANRHFSA-N 349.478 4.498 0 1 EIAF O=C1C[C@@H](C2(c3cccc4ccccc34)SCCCS2)CO1 28374505 SZZILDWKBAMDDH-CQSZACIVSA-N 330.474 4.426 0 1 EIAF Cc1ccnc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)c1 40394555 RPVZWLQAIDOJKO-JCFBCRGFSA-N 342.508 4.402 0 1 EIAF c1ccc(CN2CC[C@@]3(C2)Oc2ccccc2[C@H]3n2cccc2)cc1 40723599 OKRJBGPCTCAZPM-YADHBBJMSA-N 330.431 4.115 0 1 EIAF CCCCCCNC(=N)c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1 45203023 MLPOOHNRWTXOGH-UHFFFAOYSA-N 336.439 4.431 0 1 EIAF COc1ccc(NC(=O)C(=O)c2c[nH]c3cc(C(C)C)ccc23)cc1 73173687 JNODPARBELNHEC-UHFFFAOYSA-N 336.391 4.121 0 1 EIAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21 82178707 PGBYWSHAZRJHQX-CQSZACIVSA-N 335.455 4.362 0 1 EIAF COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1 84402605 MRUAJTDSBABAGD-UHFFFAOYSA-N 347.462 4.013 0 1 EIAF O=C(Cc1c[nH]c2ccccc12)Nc1cc2c3ccccc3nc-2c[nH]1 101243559 DXAKISVFEXBSCX-UHFFFAOYSA-N 340.386 4.330 0 1 EIAF Oc1ccc2c(c1)CCN([C@H]1CC[C@H](c3ccccc3)CC1)C[C@H]2O 101376907 GUYOIYKANZNIKE-ZWCUEREDSA-N 337.463 4.010 0 1 EIAF OCCN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 103301409 WIYPLKCEZYLLHV-ZRZAMGCNSA-N 337.507 4.467 0 1 EIAF CC(C)(C)C(=O)OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 169342433 SHHWJFWQYLCSAZ-BEWMOIABSA-N 345.508 4.204 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@H](CO)[C@H]2CCc1ccoc1 238740635 PTORJJANMCYDLB-LBFCPWMRSA-N 348.483 4.216 0 1 EIAF CCc1cc2c(c(OC)c1OC)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 238762092 KYSVYMLTWKHFOT-VFCRVFHLSA-N 344.451 4.332 0 1 EIAF CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Br)cc2)C1 299853990 SMVPOIGPHSXRQE-SJLPKXTDSA-N 330.269 4.457 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586880785 RYXCEBSOBHMAPS-VMPITWQZSA-N 332.281 4.347 0 1 EIAF O=C1c2ccccc2-c2cc(CC(F)(F)F)nc3ccc(O)c1c23 586987584 ZALONIBSXUVJPC-UHFFFAOYSA-N 329.277 4.257 0 1 EIAF Clc1cnc2nc(-c3ccc(Br)o3)[nH]c2c1Cl 587008823 YLFDIPMMZVYAFM-UHFFFAOYSA-N 332.972 4.287 0 1 EIAF Cc1nonc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098087 UYIJWKAUZAMMMN-UHFFFAOYSA-N 327.343 4.113 0 1 EIAF Cc1c([C@H](C)CN(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104158 NXULVYWVLPHXEZ-CYBMUJFWSA-N 330.431 4.420 0 1 EIAF COc1cc(OC)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587107177 PPQWTGLBIRBHPA-UHFFFAOYSA-N 336.313 4.190 0 1 EIAF Fc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116490 YXDMZXHEJIOEBK-UHFFFAOYSA-N 332.260 4.331 0 1 EIAF CC(=O)c1ccc(-c2cc(-c3nc4ccnc(O)c4[nH]3)ccc2F)cc1 587139690 QGKSNSDLORBLIT-UHFFFAOYSA-N 347.349 4.339 0 1 EIAF Cc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Cl 587172834 MLMKOZZYYUWWRK-SFHVURJKSA-N 344.773 4.292 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cccc3)cc1)O2 587391651 SWSXSJLEJYBQCO-OAQYLSRUSA-N 332.403 4.249 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587420924 NFIDHMAAOPPINE-SJCJKPOMSA-N 334.293 4.203 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)nn1C)CC2=O 587474960 ITAJMJIJBOMBQJ-KRWDZBQOSA-N 342.439 4.082 0 1 EIAF CC/C=C\CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525260 UDKWORAYPBKCIJ-OLEQZPESSA-N 342.435 4.189 0 1 EIAF COc1ccc(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1Cl 587650134 YFJKHNGJYDTAJL-UHFFFAOYSA-N 349.839 4.209 0 1 EIAF OCCc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962772 YCVSPYLWAVGDGE-UHFFFAOYSA-N 328.415 4.356 0 1 EIAF Oc1nc2cc3nc(/C=C\c4cccc5ccccc45)[nH]c3cc2[nH]1 587969121 QKGLCCYTMIVEJO-HJWRWDBZSA-N 326.359 4.468 0 1 EIAF CCN(CC)c1nc(-c2[nH]c3ccccc3c2C=O)nc2ccccc12 653758597 BMVLGQQAHWYJBQ-UHFFFAOYSA-N 344.418 4.437 0 1 EIAF CN(C)c1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1 3814328 VQHJJHAACJKZCA-UHFFFAOYSA-N 341.418 4.007 0 1 EIAF O=C(O)CCCCCCC[C@H](O)[C@H](O)CCCCCCCCF 15217182 DYQPCSNLXMQTCT-SJORKVTESA-N 334.472 4.224 0 1 EIAF biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 15659165 YZZLWRCPCIMEHR-HLXURNFRSA-N 325.537 4.088 0 1 EIAF c1ccc2c3c([nH]c2c1)[C@@H]1[C@@H]2CCCCN2[C@H](c2ccncc2)N1CC3 19328087 OIROQHWNXZSXST-BVSLBCMMSA-N 344.462 4.029 0 1 EIAF CCOC[C@H]1C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568449 UOFWRCJSMZKWLE-WMJIZHEVSA-N 328.452 4.080 0 1 EIAF in-vivo CC(C)=CCOC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl 39137388 AJCYBCLULNUJKZ-ZDUSSCGKSA-N 340.254 4.352 0 1 EIAF O=C(CCCCCCc1ccccc1)c1nc(-c2ccccn2)n[nH]1 40891966 UBPNJHYGOVEQEJ-UHFFFAOYSA-N 334.423 4.243 0 1 EIAF CCS(=O)(=O)c1ccc2oc(-c3ccc4occc4c3)nc2c1 71296672 LYFLCDSEWVRITD-UHFFFAOYSA-N 327.361 4.035 0 1 EIAF CC(C)(C)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 84672105 OSRJLGOOPNGZRD-KRWDZBQOSA-N 329.827 4.367 0 1 EIAF Clc1cc(Cl)cc(Nc2nnnc3ccc(Cl)nc23)c1 103272000 ZGGHDEDWAPCUHP-UHFFFAOYSA-N 326.574 4.124 0 1 EIAF OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2Cl)CCC1 103931201 QVGCZJBBUKSCMV-AWEZNQCLSA-N 335.194 4.256 0 1 EIAF O=C(CCCN1CC[C@H]2Nc3ccccc3[C@H]2C1)c1ccc(F)cc1 169326450 LFERUIFBHMNXBM-UYAOXDASSA-N 338.426 4.072 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 254093145 NVLJYIBBEXBONT-KHZIYGMLSA-N 340.555 4.005 0 1 EIAF Fc1c(F)c(F)c2[nH]c(-c3ccc(Br)o3)nc2c1F 587008196 QRAXUGVWHFKXPO-UHFFFAOYSA-N 335.054 4.142 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cs1 587020736 DPSJEVPDMDRBAQ-UHFFFAOYSA-N 326.812 4.419 0 1 EIAF O[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587059419 PYOIVAKYIZGQJL-CYBMUJFWSA-N 342.704 4.197 0 1 EIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587062015 NNOZMHJLZDTVJR-GDBMZVCRSA-N 344.802 4.470 0 1 EIAF CNc1cc(Cl)ccc1-c1nc2ccc(Br)nc2[nH]1 587067321 UHVUDEIJUUJLJP-UHFFFAOYSA-N 337.608 4.083 0 1 EIAF Fc1cnc(Cl)c2[nH]c(Cc3ccccc3C(F)(F)F)nc12 587105895 BMXJYHNOJIVARK-UHFFFAOYSA-N 329.684 4.360 0 1 EIAF Cc1sc(=N)[nH]c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208544 UERFKWNJTVPRRW-UHFFFAOYSA-N 343.411 4.291 0 1 EIAF O=C1Cc2nc3cccc4c3c(c2[C@@H](C2CC2)C1)-c1ccccc1C4=O 587208706 YFWAMHVZTLXFQT-QGZVFWFLSA-N 339.394 4.455 0 1 EIAF Cc1nccc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587224207 GJRLDWRHYKCBMM-HNNXBMFYSA-N 330.432 4.022 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)cc(C)c(C=O)c1C)O2 587407218 YXNMLBZRCYZHHI-OAQYLSRUSA-N 337.419 4.196 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C1CC1)[C@@H](C2)C3=O 587422536 QNJKZJUTVJRWEK-JXFKEZNVSA-N 340.806 4.402 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587775370 ZMYFSFRFMJTEKF-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CC1=CC2(C=C(C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587831121 GRWSVUMHBZIFNL-SECBINFHSA-N 338.220 4.156 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1 587870673 GJDKHHBGTLRFKR-UHFFFAOYSA-N 344.773 4.430 0 1 EIAF Cc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587873545 HFFDXJOJBZIPST-UHFFFAOYSA-N 338.338 4.131 0 1 EIAF OCCc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956340 XMKHDILTXXZZTF-FQEVSTJZSA-N 342.442 4.472 0 1 EIAF FC(F)(F)Oc1ccc(-c2ccn3ncc(C(F)(F)F)c3n2)cc1 653838806 UHIZWTGIFVJXTR-UHFFFAOYSA-N 347.218 4.314 0 1 EIAF O=C(NCCc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1 653844339 YMSGVWXZYWGHBT-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)c(O)c1 1857608644 HDLMVJCCOVDGLH-UHFFFAOYSA-N 339.416 4.021 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@]2(O)CCC[C@@H](C)[C@@]12C 2356645587 WPNXICJHRZQRMC-SIKIZQCASA-N 332.440 4.252 0 1 EIAF COCc1cccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)c1 61926761 VQCHOUUWWADGJK-QGZVFWFLSA-N 329.396 4.177 0 3 EIAF O=C(NCc1ccccc1)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12656581 SLYIFTMFXFYPBW-BXXOZEPKSA-N 348.284 4.037 0 1 EIAF Cc1[nH]c(C(=O)O)c(/C=C/C(=O)Nc2ccccc2)c1-c1ccccc1 13778847 KTVBMCFPINGKAZ-OUKQBFOZSA-N 346.386 4.340 0 1 EIAF Clc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccccc3)O2)cc1 28770218 GNKNXEUGOUKHKP-RBUKOAKNSA-N 340.810 4.178 0 1 EIAF Cc1cc2c(cc1C)Sc1cscc1C(N1CCN(C)CC1)=N2 29344117 ACHMXPPBXOMERH-UHFFFAOYSA-N 343.521 4.155 0 1 EIAF CS[C@@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]12 40393121 MWAUZLNCUAEKNR-WXYCVUISSA-N 340.897 4.313 0 1 EIAF CCCCCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181084 JEENPVIHWTWXIW-UHFFFAOYSA-N 325.416 4.098 0 1 EIAF NC1(c2ccc(-c3c(-c4ccccc4)ccc4ncnn34)cc2)CCC1 84704294 IVSOAUPZCPKIRF-UHFFFAOYSA-N 340.430 4.401 0 1 EIAF CC(C)[C@H]1[C@H](C)OC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 142101498 ICZGSGXXNIPUME-ZQIUZPCESA-N 340.427 4.019 0 1 EIAF C[C@H](Oc1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1)C(F)(F)F 146213972 OODRJGSRBPRQHH-JTQLQIEISA-N 344.377 4.159 0 1 EIAF CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)OCO2)C(C)C 169349627 VMXRHCBMZVJJFI-UHFFFAOYSA-N 325.408 4.341 0 1 EIAF Oc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(O)cc45)cn3)c2c1 238784370 BQGUXVSTXLNQBM-UHFFFAOYSA-N 342.358 4.184 0 1 EIAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccccc2C)N3C)cc1 253641765 SUEIJSZDTKIXCI-AQCRLBJHSA-N 349.474 4.475 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1N2C 261131626 LFJPCUHETVUFNZ-YWTNHNAXSA-N 341.476 4.154 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@@H]12 299815735 STSPSSDQNNGSJA-NAXVJTQLSA-N 340.555 4.005 0 1 EIAF Cc1cc(NCc2c(F)cccc2Cl)c2cccc(C(N)=O)c2n1 473087556 FUFNYUQVVHGFLC-UHFFFAOYSA-N 343.789 4.047 0 1 EIAF Oc1cccc2c1OCC(c1nc3cc(C(F)(F)F)ccc3[nH]1)=C2 586906862 ASAXMTBUNNSWHL-UHFFFAOYSA-N 332.281 4.220 0 1 EIAF Fc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F 587005117 NYDKWALZPSUPIZ-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1ccc2c(ccc3[nH]c(-c4ccc(Br)o4)nc32)n1 587006798 PETFEJJJHJJUCY-UHFFFAOYSA-N 328.169 4.442 0 1 EIAF Cc1c(-c2nc3c(Cl)ccnc3[nH]2)cnn1-c1ccc(Cl)cc1 587075620 JQYIITHGYFVZKB-UHFFFAOYSA-N 344.205 4.426 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1C 587238485 ADDBYGOWJHKXKV-UHFFFAOYSA-N 349.768 4.293 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)co1)[C@@H](C2)C3=O 587456205 STXWJVNTVRSKLN-KKSFZXQISA-N 332.355 4.444 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)nc(OC)c1)CC2=O 587462749 SFDWNVCWBSYHKC-OAHLLOKOSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cnn1CC)CC2=O 587462818 QUHTVBXEAYGPRJ-SFHVURJKSA-N 348.830 4.095 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(NCC)cc1)CC2=O 587468216 CFONGPADGNESBV-IBGZPJMESA-N 325.408 4.483 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1csc(C(C)=O)c1)CC2=O 587492175 BGPPODFYPSYHGY-MRXNPFEDSA-N 330.405 4.315 0 1 EIAF O=C1C[C@@H](c2c[nH]nc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587504641 FRPAZLGDJQVPFO-AWEZNQCLSA-N 336.313 4.014 0 1 EIAF CN(C)/C=C/[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587511644 MPGWKUKFZNXSNI-VIOKTNGOSA-N 337.419 4.094 0 1 EIAF CC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587648752 HHJHTMKDZBNEQA-UHFFFAOYSA-N 347.823 4.094 0 1 EIAF Cc1sc2c(c1C)CCN[C@@]2(C)[C@H]1CCc2ccccc2C1=O 963035104 YXAIYSRXSIGERF-PXNSSMCTSA-N 325.477 4.171 0 1 EIAF C[C@]1(c2ccc3[nH]c(O)cc3c2)c2ccc(F)cc2C[C@@H]2CCCN21 963099514 HXQJVTLFSZFKJN-UWJYYQICSA-N 336.410 4.297 0 1 EIAF COc1cccc(N=c2[nH]c(-c3sc(C)nc3C)cs2)c1C 1857566980 OFGGBHLUDRKVML-UHFFFAOYSA-N 331.466 4.366 0 1 EIAF CO[C@H](C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857763576 YABIGLAUDNERGH-BDJLRTHQSA-N 344.867 4.334 0 1 EIAF CC(=CCc1c(C)cc(O)cc1Oc1cc(C)cc(O)c1)C(=O)O 2356805490 ZUMMPDPSYDOKEH-UHFFFAOYSA-N 328.364 4.080 0 1 EIAF Oc1cccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)c1 74386288 UUJUMCSLKVSWCD-UHFFFAOYSA-N 338.317 4.352 0 3 EIAF O=C1c2ccccc2C(=O)N1CCCCC[C@@H]1COc2ccccc21 230515267 AWWCBZHHWHRJQR-OAHLLOKOSA-N 335.403 4.019 0 3 EIAF COc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1 1654955 AUNZNJCWXMECBV-UHFFFAOYSA-N 334.400 4.123 0 1 EIAF O=C(Cc1ccc(F)cc1)CC1CCN(Cc2ccccc2)CC1 13730006 FYPKCXCUYFTOMN-UHFFFAOYSA-N 325.427 4.240 0 1 EIAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)ccc21 28571558 CKPPJIQWWSHKBB-SJCJKPOMSA-N 349.261 4.279 0 1 EIAF O=C(c1cccc(OC(=O)C2CCCC2)c1)c1nc2ccccc2o1 28710806 BLJRDSYRRJSHAQ-UHFFFAOYSA-N 335.359 4.154 0 1 EIAF CCCCCOC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 39207926 WANXWHRCLUDEHW-UHFFFAOYSA-N 338.403 4.086 0 1 EIAF COc1ccc(OC)c(Nc2cc(C)nc3ccc4[nH]cnc4c23)c1 39214864 MAZSCWLOTUEEMR-UHFFFAOYSA-N 334.379 4.180 0 1 EIAF Oc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N1CCCC1)CC2 88261082 ZWYPYSDMZGMNEO-LEWJYISDSA-N 325.427 4.268 0 1 EIAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(CC(=N)c3cccs3)cc12 96177586 PZWUIMJVRXIXJI-MRXNPFEDSA-N 337.492 4.477 0 1 EIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 104115819 ZSAKGHFVKVTESS-RIBQPWQFSA-N 346.818 4.213 0 1 EIAF c1ccc([C@H]2CC3(N4CCCC4)CNCC2[C@@H](c2ccccc2)C3)cc1 116204079 WNGKMIXRPSZBEG-SSPWFOHLSA-N 346.518 4.402 0 1 EIAF CC[C@H]1SC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1 168429605 RXVUEOXZINRYSZ-OAHLLOKOSA-N 337.404 4.434 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@@H]3[C@H]4[C@@H]5C[C@H]3[C@H]1[C@@H]5C[C@H]42 195355177 NVLJYIBBEXBONT-ZKMVDBKOSA-N 340.555 4.005 0 1 EIAF FC(F)(Cl)c1nn2cc(-c3cc4ccccc4o3)nc2s1 205918122 SKSGLBUEJARBSM-UHFFFAOYSA-N 325.727 4.492 0 1 EIAF Cc1cc2c3ccccc3cc(CCc3nc4ccccc4n3C)n2n1 299829876 SSDVSQUNASSUPI-UHFFFAOYSA-N 340.430 4.468 0 1 EIAF C[C@H]1CCO[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C1 586916719 CDPCYWYIUBWMHN-RCOVLWMOSA-N 331.160 4.091 0 1 EIAF Clc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cn1 587006109 HPXUVSDARALIOP-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF Oc1ccc2scc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2c1 587033643 YJTHOUBBSVIBRR-UHFFFAOYSA-N 346.314 4.472 0 1 EIAF COC(=O)Nc1ccc(-c2nc3cc(Cl)c(OC)cc3[nH]2)cc1 587244174 XWDWJZNRTOBCOK-UHFFFAOYSA-N 331.759 4.070 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)cc1F)CC2=O 587466987 OXUVBUASBBDKCI-IBGZPJMESA-N 330.355 4.070 0 1 EIAF O=C1C[C@]2(CC[C@H](O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529831 FCNVBBYDHAXAPG-UGKGYDQZSA-N 334.415 4.253 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)c1 587872165 JCLDONQOTOLSNH-UHFFFAOYSA-N 330.384 4.146 0 1 EIAF COc1ccc(-c2cc(NC(=O)Nc3ccccc3)on2)cc1OC 621431089 MTYNCIPZQWWEOG-UHFFFAOYSA-N 339.351 4.003 0 1 EIAF CCOC(=O)c1coc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962665441 HYCLFULEGWRDRP-NRFANRHFSA-N 347.414 4.358 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc(F)ccc1Cl 963634631 KZXOZDYDFZJNPP-NSPYISDASA-N 349.833 4.294 0 1 EIAF COc1cc(-c2n[nH]cc2-c2ccc(C)c(C)c2)cc(OC)c1OC 1857558510 MDPITEMSOPVMNU-UHFFFAOYSA-N 338.407 4.386 0 1 EIAF CN1C[C@](O)(c2ccc(-c3ccccc3)cc2)S[C@H]2CCCC[C@@H]21 1857748059 MQEUZOQUQDYGIG-PCCBWWKXSA-N 339.504 4.489 0 1 EIAF Fc1cc(F)c(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1Cl 1857772043 QJFYFMFFGYXPCP-UHFFFAOYSA-N 332.697 4.212 0 1 EIAF CC1(C)O[C@H]2C[C@H](C(C)(C)C)OC(=O)[C@H]2[C@@H](CCc2ccccc2)O1 2356700816 GOQCQYCRBQFACB-XDNAFOTISA-N 346.467 4.117 0 1 EIAF O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 1645348 GXPYKOVBSSZAEE-UHFFFAOYSA-N 332.443 4.076 0 1 EIAF CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)[C@@H]1C1CCCCC1 3952082 WGWDDPLFUFHZQV-QGZVFWFLSA-N 347.842 4.345 0 1 EIAF O=C1CC[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1 13730598 WSMIFTGUPARNSH-INIZCTEOSA-N 349.459 4.114 0 1 EIAF Cc1noc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1Cl 26469697 MBUKSPHJVDZOKR-UHFFFAOYSA-N 348.811 4.104 0 1 EIAF CCNC[C@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 28873445 MESUMNNLNBOPTM-LBTNJELSSA-N 329.875 4.103 0 1 EIAF Oc1cc(CN2CCCC[C@@H]2c2cccnc2)nc2c(F)cccc12 91586772 RLCLURNCUYHEHL-GOSISDBHSA-N 337.398 4.202 0 1 EIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)Nc1ccc(C(F)(F)F)cc1 117716363 KNUIFKKSUHQDET-CYBMUJFWSA-N 349.356 4.426 0 1 EIAF CCC/C=C\COC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169363338 VYMTVUHJJJHELN-BVCUDMQCSA-N 336.472 4.354 0 1 EIAF Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cncc2nccn12 169705966 PVVBCXSBWJYCRS-UHFFFAOYSA-N 341.374 4.373 0 1 EIAF COc1ccc2c([C@H](C)c3cccc(Cl)c3)ncnc2c1OC 474609345 PTKHJCOSJZFBNS-LLVKDONJSA-N 328.799 4.452 0 1 EIAF O=c1ccc2cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)ccc2o1 586916536 BEOFOHJSSNXYDJ-UHFFFAOYSA-N 332.146 4.038 0 1 EIAF Cc1c(F)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995728 NIMWURVJBXMCKE-UHFFFAOYSA-N 348.219 4.428 0 1 EIAF Fc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F 587001936 BKKZEZCWUWGQNW-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF FC1(F)Oc2cc3nc(CCc4ccccc4Cl)[nH]c3cc2O1 587059413 PWOUTRJSYKMVOF-UHFFFAOYSA-N 336.725 4.323 0 1 EIAF N[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)cc1F 587149313 DNIPWEFWAKRZDL-LBPRGKRZSA-N 328.149 4.196 0 1 EIAF Cc1c(Cl)ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587171517 NUUCKANSXASCFD-UHFFFAOYSA-N 332.762 4.121 0 1 EIAF Cc1ccnc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587224822 HOSUYQNVPRTJOV-CQSZACIVSA-N 330.432 4.022 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cccc1N)CC2=O 587473515 WNMJMYVVAYRVJJ-HXUWFJFHSA-N 325.408 4.116 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2[nH]c3ccccc3c2C1 587481743 HKQKNTWHTVOXGC-JOCHJYFZSA-N 347.414 4.329 0 1 EIAF CC(=O)Nc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512761 PGNCHJWSLFROJR-HXUWFJFHSA-N 335.403 4.230 0 1 EIAF CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(F)ccc12 587633249 WSJGUWDYIHFSMJ-UHFFFAOYSA-N 345.757 4.373 0 1 EIAF COc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c1C 587788156 QKNHRVLNMANNGT-UHFFFAOYSA-N 333.391 4.412 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 587789428 DDHIHPKMCGVGBC-ABKXIKBNSA-N 337.236 4.102 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2)N1 587855011 SVZSZUIPOQNUMJ-XLKFXECMSA-N 326.234 4.273 0 1 EIAF Cc1ccc(C)c(Cc2nc3c(C)c(Br)cnc3[nH]2)c1 587958438 BYYGBDMXNDMWDM-UHFFFAOYSA-N 330.229 4.236 0 1 EIAF O=C(NCc1ccccc1F)NC1c2ccccc2-c2ccccc21 653802225 XDZCLVYPYYSDAR-UHFFFAOYSA-N 332.378 4.395 0 1 EIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c3ccccc3nn2C)N1 962938954 AUYAXFJBTAFXAX-RBZFPXEDSA-N 330.435 4.068 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)nc2Cl)N1 962962552 YACCTXVIABMPDI-PIGZYNQJSA-N 341.842 4.239 0 1 EIAF CCCC[C@]1([C@H](C)C(=O)OC)c2ccc(F)cc2C[C@@H]2CCCN21 963091752 ACNHKJZYMXNDAE-LIVBEALHSA-N 333.447 4.041 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@H]3CCC[C@@H]1[C@]32C 2356647171 DEFMCBVSKBZNPH-HQSJTRQHSA-N 344.407 4.173 0 1 EIAF CCCCC[C@H](O)C=CC1=CCC(=O)[C@@H]1CC=CCCCC(=O)O 2356655252 CMBOTAQMTNMTBD-ZWKOTPCHSA-N 334.456 4.200 0 1 EIAF CC(C=Cc1oc(=O)c2c(c1C)O[C@@H](C)C2(C)C)=Cc1ccc[nH]1 2356702604 MBCKESWYYQOLQM-AWEZNQCLSA-N 325.408 4.452 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C=C[C@@]2(C)O)Oc2ccc(O)cc2C[C@]13C 2356799507 UNJQRWVMOXUQOP-UNNXJWPMSA-N 328.452 4.075 0 1 EIAF Cc1ccc(-c2cn(CCC(=O)O)c(-c3ccc(Cl)nc3)n2)cc1 36387383 VBFLHMSEXKWZTK-UHFFFAOYSA-N 341.798 4.049 0 3 EIAF COCCNc1nc(Nc2ccccc2Cl)c2sccc2n1 61896256 GPBBAUFXJIDAKP-UHFFFAOYSA-N 334.832 4.147 0 3 EIAF COc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1 13489735 RGQCKSICTLMEDR-UHFFFAOYSA-N 343.390 4.082 0 1 EIAF Nc1nnc2c([nH]c3ccc(Br)cc32)c1-c1ccccc1 13580548 SJEDFUHAWJSBIM-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF CCc1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)cc1 21262075 IINSYWDIHGAJNH-UHFFFAOYSA-N 344.462 4.341 0 1 EIAF aggregator O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1C1CCCC1 26650377 AONGXOWKXVOBER-UHFFFAOYSA-N 343.430 4.466 0 1 EIAF CCOC1(OCC)[C@@H]2c3c(C)cccc3[C@@H]([n+]3ccccc32)C1(C)C 27517561 DNFVMODMZCENJC-VQTJNVASSA-N 338.471 4.126 0 1 EIAF COc1ccccc1N1CCN(CCCCCc2ccccc2)CC1 28762567 RYTSCGHNWLMVDE-UHFFFAOYSA-N 338.495 4.230 0 1 EIAF COc1ccc(COCc2ccc(C(=O)C(F)(F)F)s2)cc1 29069589 MOFRXFLSGOVYKC-UHFFFAOYSA-N 330.327 4.219 0 1 EIAF COc1c(C)c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c1C 96270880 SFAFBMCTCOQXBE-UHFFFAOYSA-N 326.367 4.457 0 1 EIAF Cn1nc(C2CC2)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103194999 MUXAZPSIGSDGMP-UHFFFAOYSA-N 345.874 4.178 0 1 EIAF CC1(C)[C@H]2CC[C@@H](CNC(=O)Nc3ccc(F)c(F)c3F)[C@H]1C2 261149367 ONBSSNHALHDLOT-GARJFASQSA-N 326.362 4.298 0 1 EIAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)cc1 586879920 LMEHQIRPVGYCPE-UHFFFAOYSA-N 342.402 4.264 0 1 EIAF Fc1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1-n1cccn1 586904210 SYBIIUWOGZWDOP-UHFFFAOYSA-N 346.365 4.419 0 1 EIAF Fc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002359 DLAOZTVXNDSERW-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF c1ccc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029496 PSLINBRDSQXWTK-UHFFFAOYSA-N 331.404 4.084 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Cl)s1)CC2=O 587495714 QBGDOVOOCUXZGJ-MRXNPFEDSA-N 337.828 4.335 0 1 EIAF CCn1cc(Cl)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587501213 RITIBTGQTHWYPK-IBGZPJMESA-N 344.842 4.316 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCCCC1 587624078 XSQOKPDECKXCMH-UHFFFAOYSA-N 333.233 4.105 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)Cl)N1 587706644 RKKPMQUUMBSCOL-KGFZYKRKSA-N 342.586 4.169 0 1 EIAF Cc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2n1 587782239 JWTNQGSTZRTQRU-UHFFFAOYSA-N 331.375 4.218 0 1 EIAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)cnc4[nH]3)c2)c1 587931326 HITYLBXQMQZPCI-UHFFFAOYSA-N 335.338 4.145 0 1 EIAF COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cn1 587949389 FCISOLZYRXEHIC-UHFFFAOYSA-N 331.375 4.350 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587962465 JMIQZICEYQURGQ-HTQZYQBOSA-N 341.636 4.137 0 1 EIAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccncc1 1772644278 HQWSGBYYANMPKM-UHFFFAOYSA-N 347.443 4.081 0 1 EIAF Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1 1857554872 LRMOBVZLNQXLBI-UHFFFAOYSA-N 329.787 4.204 0 1 EIAF COc1cc(C[C@H](O)C2=C(C)CCCC2(C)C)cc(OC)c1OC 1857631318 VCMZZEUPAGMRKI-HNNXBMFYSA-N 334.456 4.142 0 1 EIAF C[C@@H](Cc1ccsc1)NCc1c[nH]nc1-c1ccc(F)cc1F 15961871 HKNRDWJKYQBZDD-NSHDSACASA-N 333.407 4.137 0 3 EIAF O=C1COCc2ccc(-c3ccncc3)cc2N1CC1CCCCC1 74375720 CQBHZSYNWGMEGT-UHFFFAOYSA-N 336.435 4.192 0 3 EIAF O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)C1CCCCC1 1370437 ITDAPAORJMRWIW-SFTDATJTSA-N 340.511 4.269 0 1 EIAF CCN1CCC(N2C(=O)Nc3ccccc3[C@H]2c2ccccc2)CC1 13553574 OYFUCXROJCWGEW-HXUWFJFHSA-N 335.451 4.108 0 1 EIAF CN(c1ccccc1)C1CCN(CCCOc2ccc(F)cc2)CC1 13832616 MYAFMUHLBIBYGU-UHFFFAOYSA-N 342.458 4.195 0 1 EIAF Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 13834965 PXACZBDGXPWQPE-UHFFFAOYSA-N 328.366 4.202 0 1 EIAF CCCCc1ccc(/C=C2\CN3[C@@H]4CC[C@@H]3[C@H](C(=O)OC)[C@@H]2C4)s1 100889361 YQQAIKWUGKLZAA-YYJIZVPOSA-N 345.508 4.130 0 1 EIAF CCC[C@@H](C)c1c(O)n(CC)c(SCc2ccccc2)nc1=O 103571472 KJEMPOKZFAIKET-CYBMUJFWSA-N 332.469 4.165 0 1 EIAF Cc1ccc2c(c1)c1c(n2CCCOc2ccc(F)cc2)CCNC1 169350514 JVHWSDZXBDIMEO-UHFFFAOYSA-N 338.426 4.204 0 1 EIAF COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 321441488 GAXSENXGAGWFQZ-UHFFFAOYSA-N 330.771 4.053 0 1 EIAF Cc1ccc(CSCCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586971853 ZCCYMSPYINJGSW-UHFFFAOYSA-N 344.411 4.185 0 1 EIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cs1 587022299 WUYSTRTZOSBZTN-UHFFFAOYSA-N 334.326 4.407 0 1 EIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)nccc2[nH]1 587044756 QUPCIZUJVKYSCX-UHFFFAOYSA-N 338.194 4.257 0 1 EIAF FC(F)(F)[C@@](F)(Cl)c1nc2cccc(Br)c2[nH]1 587090316 OZGZASZKCIXAGP-MRVPVSSYSA-N 331.494 4.249 0 1 EIAF Cc1ccc2c3c(cc(C4=NCCS4)nc13)-c1ccccc1C2=O 587101399 GLAHWQUWKMKLMK-UHFFFAOYSA-N 330.412 4.248 0 1 EIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cncc(Br)c3[nH]2)c1 587162620 XQKSUYZDZNTCIF-WDEREUQCSA-N 332.176 4.131 0 1 EIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccccc3[nH]2)c1 587204013 UCBACIUFHRJKSN-UHFFFAOYSA-N 336.395 4.080 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccnc3)ccc1O)O2 587394614 JBIBGQGHQSMKJF-HXUWFJFHSA-N 346.386 4.051 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)Sc4ccccc41)[C@@H](C2)C3=O 587453123 QFRYLZJUKDFEDA-LQGCGHSZSA-N 338.428 4.222 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CCC)C(=O)OCC)CC2=O 587478407 FXSHSQTVNBCQLV-YWZLYKJASA-N 348.439 4.048 0 1 EIAF O=C1C[C@@H](COc2cccc(F)c2)Oc2c1ccc1c2CCCC1 587507179 UUGOZTWDZYLAAS-INIZCTEOSA-N 326.367 4.117 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 587588702 RMOIRNLFKINUIL-NQIIRXRSSA-N 347.370 4.107 0 1 EIAF CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587829318 QEHYWMJMQAOZHB-ABKXIKBNSA-N 338.220 4.367 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(F)c(F)cc2[nH]1 587935921 WGKGQPAXDKMBHR-UHFFFAOYSA-N 326.346 4.422 0 1 EIAF c1ccc2c(c1)C[C@@H](CN1CCC3(CCc4ccccc43)CC1)CO2 653741220 SNUYVAGJPNKKOA-SFHVURJKSA-N 333.475 4.218 0 1 EIAF O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(F)cc2s1 653882397 XXLJDVSMPWCJCE-UHFFFAOYSA-N 337.763 4.438 0 1 EIAF Cc1cc2c(cc1F)[C@](C)(CC(=O)c1cc(Cl)ccc1O)NCC2 962373608 ILNWOSJVENCZQN-IBGZPJMESA-N 347.817 4.127 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCCN(C(=O)OCC)CC2 963228224 LDRQSFWLFYGLPJ-LAUBAEHRSA-N 344.499 4.181 0 1 EIAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@H](C)C(=O)c3occ(C)c3[C@H]2C=C1C 2356607012 MKWWNWBOBCXLHD-XUWVNRHRSA-N 328.408 4.348 0 1 EIAF Cc1cc2onc([C@H]3CCCN3C(=O)N3CCCCC3)c2cc1C 206029764 FOFRDFXWZFGRDV-MRXNPFEDSA-N 327.428 4.187 0 3 EIAF CCOCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 3815726 HSHCBSSOMDJQKJ-UHFFFAOYSA-N 325.387 4.178 0 1 EIAF COC(=O)C1=CSC(=C2S[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3S2)S1 6041561 XBWIMVLZHLPQGG-SWOGREBESA-N 328.505 4.031 0 1 EIAF O=C(NCCNC1CCCCC1)[C@H](c1ccccc1)C1CCCCC1 26385970 SHMZNQBOXVJZOJ-OAQYLSRUSA-N 342.527 4.389 0 1 EIAF CCCNC(=O)Oc1cccc(C(=O)c2nc3ccccc3s2)c1 28710795 MXKASTDBSSLPLN-UHFFFAOYSA-N 340.404 4.026 0 1 EIAF O=C1c2ccccc2C2(CCCC2)C(=O)N1c1ccc(Cl)cc1 40412846 SULQASZPSYYHOD-UHFFFAOYSA-N 325.795 4.339 0 1 EIAF FC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1 40896888 KEPUNIVZVSRZSU-UHFFFAOYSA-N 326.709 4.014 0 1 EIAF COc1cc(-c2nccc3c2[nH]c2ccccc23)cc(OC)c1OC 45498832 CTHWWYOSYQUXJY-UHFFFAOYSA-N 334.375 4.409 0 1 EIAF Cc1n[nH]c(C)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 49035066 VRYZIAQDGOAPGT-CQSZACIVSA-N 334.467 4.269 0 1 EIAF COc1c2c(c(OC)c3ccccc13)[C@H]1Oc3ccccc3[C@H]1CO2 82155045 ADFKBBNAHGKEAQ-BEFAXECRSA-N 334.371 4.467 0 1 EIAF Nc1cnc(-c2ccc(-c3ccccc3OC(F)(F)F)cc2F)cn1 224799983 GEHPZEMXQAINDK-UHFFFAOYSA-N 349.287 4.431 0 1 EIAF Cc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2n1 586914435 JNLGTQCSURMCNP-UHFFFAOYSA-N 345.358 4.035 0 1 EIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(F)cc3[nH]2)c1 586915032 GCJTVLDVBQOEJI-UHFFFAOYSA-N 348.333 4.470 0 1 EIAF O=C1c2ccccc2-c2cc(-c3cn4cccnc4n3)nc3cccc1c23 587107373 RFRWNQKSUPLVIV-UHFFFAOYSA-N 348.365 4.156 0 1 EIAF Nc1ccc(-c2ccc3nc(COc4ccc(F)cc4)[nH]c3c2)cc1N 587169491 XSFVEPRSOFQEBT-UHFFFAOYSA-N 348.381 4.112 0 1 EIAF CN(C)c1ncccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587196154 QYDLJSFVGDAMBO-UHFFFAOYSA-N 338.358 4.303 0 1 EIAF Cc1c(Cl)cccc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 587209826 YSQLUPCQCCBRLJ-UHFFFAOYSA-N 336.822 4.476 0 1 EIAF O=C(O)CSc1ccc(-c2cc3c4c(cccc4n2)CC3)c(F)c1 587210299 NKCOUNIUQQIJCD-UHFFFAOYSA-N 339.391 4.316 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(C)cc(C)cc3c1=O)O2 587408353 MEAWWKDIJKBNGW-GOSISDBHSA-N 349.386 4.007 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(F)c1)CC2=O 587467865 SYXXXEWLOKIEED-LJQANCHMSA-N 330.355 4.070 0 1 EIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 587528879 FXJDHLKXGQDEBF-HEXCBNSLSA-N 332.443 4.047 0 1 EIAF CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587354 MQQNWZCMQYRPRM-RXVVDRJESA-N 347.370 4.054 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614795 ULQYAEFDYWMVNE-VQIMIIECSA-N 338.384 4.465 0 1 EIAF CCOC(=O)Cc1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 587627343 SQNPJTJMFLSZFG-UHFFFAOYSA-N 328.799 4.297 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccnc(OC)c4[nH]3)c2)cc1O 587787827 YJKZOBYPDFXOQX-UHFFFAOYSA-N 347.374 4.015 0 1 EIAF O=C(n1nc2cc1Oc1ccc(F)cc1-2)C(F)(F)Oc1ccccc1 587874363 XHSPEKLXCKQJBO-UHFFFAOYSA-N 346.264 4.107 0 1 EIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(F)cc2[nH]1 587934812 OTZYEKCXHRBIMV-UHFFFAOYSA-N 338.382 4.292 0 1 EIAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4ncccc4C)cc32)[nH]1 653749360 PSLNTKMRZJDTTI-BOPFTXTBSA-N 329.403 4.495 0 1 EIAF COc1ccc(CNc2ccc(NCc3ccc(OC)cc3)nc2)cc1 1772653342 UYAAGSQRRRNBGB-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)cc1O 2356584650 NCDUCYPQLGABJF-VTLGYEHRSA-N 342.391 4.214 0 1 EIAF CCCCC[C@H](O)C=C[C@@H]1CC[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356710305 YRFLKMLJQWGIIZ-FCGDIQPGSA-N 338.488 4.072 0 1 EIAF Cc1ncoc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(C)(C)C 12574054 JAYZJQDTUHXAMC-GOSISDBHSA-N 337.423 4.250 0 3 EIAF O=C1c2ccc(C(F)(F)F)cc2[C@@]2(c3ccccc3)SCCN12 6582015 DNJXCCYPVZMOJK-MRXNPFEDSA-N 335.350 4.109 0 1 EIAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@H]1[C@H](O)C2=O 13302490 LSXXATUHWQXQII-QFUCXCTJSA-N 346.467 4.165 0 1 EIAF biogenic CN(C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3N2O1 13436812 VMLLHZVDHFWOOM-DZGCQCFKSA-N 330.815 4.259 0 1 EIAF CCN(CC)CCCNc1ncc(C)c2c1c1cnccc1n2CC 29391184 NYJNEKXJKRVNGZ-UHFFFAOYSA-N 339.487 4.057 0 1 EIAF CCC(CC)(C(=O)O)c1cc(C(=O)c2cccs2)ccc1OC 29400753 OVDHVYZZBMZOPB-UHFFFAOYSA-N 332.421 4.130 0 1 EIAF COc1ccc(OC)c(CCNc2cc(-c3ccc(C)cc3)ncn2)c1 82160815 SYHRMJMLWMXPIL-UHFFFAOYSA-N 349.434 4.124 0 1 EIAF CCc1cccc2ccn(C[C@H](O)CSc3ccc(F)cc3)c12 84688383 PXVWRKMZKPWYRA-KRWDZBQOSA-N 329.440 4.496 0 1 EIAF CN(C)c1ccc(-c2ccc(Cn3cccc(O)c3=S)cc2)cn1 95592714 UPMYRJHDZRTXBG-UHFFFAOYSA-N 337.448 4.099 0 1 EIAF Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OCO4)cc1 586971289 QMSZTQQXNQOMCZ-UHFFFAOYSA-N 326.421 4.076 0 1 EIAF Cc1coc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987423 AVOZIKWZZHNXPQ-UHFFFAOYSA-N 328.327 4.115 0 1 EIAF Cc1cc(Cl)cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 587130314 HNQARKQBKLBGHB-UHFFFAOYSA-N 342.773 4.143 0 1 EIAF CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1C 587212821 CXMAMZVECNISTG-UHFFFAOYSA-N 347.414 4.335 0 1 EIAF COc1ccccc1Nc1ccccc1-c1nc2ccnc(O)c2[nH]1 587241337 ZGGWOTWPFRLZFR-UHFFFAOYSA-N 332.363 4.083 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cccc(Cl)c31)O2 587380065 PKCMNCINPGADMC-IBGZPJMESA-N 327.811 4.428 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC(C)C)c1)O2 587401078 PWJXAROJONIDNI-FQEVSTJZSA-N 325.408 4.245 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)C(F)(F)F)CC2=O 587462524 QTGOIFZNSVCOSL-ZDUSSCGKSA-N 338.272 4.266 0 1 EIAF O=C1C[C@H](c2cnc(-c3ccco3)nc2)Oc2c1ccc1c2CCCC1 587515480 OMOOCJMCBUCEJY-LJQANCHMSA-N 346.386 4.322 0 1 EIAF CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587352 MQQNWZCMQYRPRM-GHTZIAJQSA-N 347.370 4.054 0 1 EIAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)c1C 587634260 WRIFNEWLHKXXTP-UHFFFAOYSA-N 339.292 4.082 0 1 EIAF CC[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587775179 PLDTUOJMRFWTRI-PIGZYNQJSA-N 349.247 4.171 0 1 EIAF C[C@H](Oc1ccc(F)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874200 XAXFASBVJWRMGE-JTQLQIEISA-N 342.301 4.042 0 1 EIAF COc1ccccc1-c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 587930813 GMTQWDRAKKOKAR-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF Cc1c(Br)cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1C 587962041 HTHIPGBFYLSMSK-WDEREUQCSA-N 335.245 4.100 0 1 EIAF OCc1ccc(-c2cc3c(NCc4ccccc4)ncnc3s2)cc1 653701057 JRTODMUHCBYSOI-UHFFFAOYSA-N 347.443 4.463 0 1 EIAF OC(CCO[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)(C(F)(F)F)C(F)(F)F 2356454042 WZDOVQNCWWVIHL-LDMBFOFVSA-N 346.311 4.074 0 1 EIAF CC[C@H](C)C=C(C)C1=Cc2cc3cc(OC)c(=O)oc3c(O)c2CO1 2356478842 VIUBUJAFNAMIAH-NSHDSACASA-N 342.391 4.371 0 1 EIAF COc1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cc1 61907117 CFRYGIYMZOKDPV-GOSISDBHSA-N 347.386 4.353 0 3 EIAF CCOc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1 226973 HRLNGNOAFKXKEX-UHFFFAOYSA-N 333.313 4.352 0 1 EIAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)C 776334 MUSRPQSHXHIOSH-UHFFFAOYSA-N 330.428 4.034 0 1 EIAF CCc1cccc(N(C)C(=N)Nc2cccc(Br)c2)c1 13776047 NTJNSNJGPHNGPJ-UHFFFAOYSA-N 332.245 4.495 0 1 EIAF c1ccc2c3c([nH]c2c1)[C@@H]1[C@H]2CCCCN2[C@H](c2ccncc2)N1CC3 19328090 OIROQHWNXZSXST-HJNYFJLDSA-N 344.462 4.029 0 1 EIAF CN(C)Cc1ccc(CCCCCCNC(=O)Nc2ccccc2)o1 28955689 FJIIVNMHHFIZQK-UHFFFAOYSA-N 343.471 4.266 0 1 EIAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(CC3CC3)C[C@@H]2C1 29127749 SMDURVDNVKUIAT-JTHBVZDNSA-N 336.523 4.070 0 1 EIAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C(C)(C)C 35190696 ADQBNBBCDLQXPG-UHFFFAOYSA-N 333.863 4.195 0 1 EIAF O=C(N[C@H]1CCC(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 40379623 YLXHOWOGGUBTKS-HNNXBMFYSA-N 334.202 4.441 0 1 EIAF COc1ccc(/C=C/c2cccc(I)c2)cc1 45254118 JOWKFRQXYWFEHD-AATRIKPKSA-N 336.172 4.470 0 1 EIAF CC(=O)[C@@H](CCCCCCC(=O)O)CCCC1(O)CCCCC1 59902507 JZGVOSNXBKTOPK-KRWDZBQOSA-N 326.477 4.482 0 1 EIAF CCCCc1c(O)c2cc3c(nc2n(-c2ccccc2)c1=O)CCCC3 100814863 QJZFPBRFUZGYRP-UHFFFAOYSA-N 348.446 4.313 0 1 EIAF CC[C@]1(C)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 169324254 IRFDHIJPPZIBPX-QUCCMNQESA-N 325.408 4.208 0 1 EIAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(OC(C)C)n4)c3c2)o1 204759333 FLUCKTIWFMWKNJ-UHFFFAOYSA-N 349.394 4.109 0 1 EIAF CCOC(=O)Nc1ccc(Oc2ncnc3sccc23)cc1C 473145368 RTLLRFQLHWIAPL-UHFFFAOYSA-N 329.381 4.360 0 1 EIAF Cc1nc(Br)sc1-c1nc2cccc(Cl)c2[nH]1 587010617 DYVNEKFLFZLSHV-UHFFFAOYSA-N 328.622 4.411 0 1 EIAF COC(=O)c1cccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097336 JHHNCXAISRXHEK-UHFFFAOYSA-N 338.260 4.174 0 1 EIAF Cc1c(-c2ccnn2C)nc2cccc3c2c1-c1ccccc1C3=O 587105276 WJYYIDXWGYUPAS-UHFFFAOYSA-N 325.371 4.155 0 1 EIAF O=C(/C=C/c1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1ccccc1 587244544 OYBPRKANEDTPCG-CMDGGOBGSA-N 347.296 4.113 0 1 EIAF COc1ccc([C@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444965 XTZMRTOXDLCAFW-UTKZUKDTSA-N 338.403 4.003 0 1 EIAF O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587503320 GIXNXLLVMQDSMF-SFHVURJKSA-N 340.350 4.109 0 1 EIAF O=C1C[C@@]2(CCc3ccc4c(c32)CCO4)Oc2c1ccc1c2CCCC1 587536225 SHIRSTZVGFVGFI-HSZRJFAPSA-N 346.426 4.307 0 1 EIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C 587574915 CRWCZQYUSZUJON-RXVVDRJESA-N 349.386 4.050 0 1 EIAF CSC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCC1 587614681 UJFBAVRRTKLTOI-YJBOKZPZSA-N 342.416 4.008 0 1 EIAF COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 587624300 GGIYTLGGAPGHHF-UHFFFAOYSA-N 345.757 4.292 0 1 EIAF CCC(=O)C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814539 UBKFPUGBOHPYRU-MGPLVRAMSA-N 342.252 4.097 0 1 EIAF COc1ccc(-c2cccc([C@@H]3NCCc4c(C)ccnc43)c2)cc1 963074754 XWPKOZXZJJIAIB-NRFANRHFSA-N 330.431 4.301 0 1 EIAF COc1ccccc1OC[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963113506 UPKADLBPJHXLKL-LAUBAEHRSA-N 341.426 4.149 0 1 EIAF Cc1cc2[nH]c(=NCc3ccco3)n(Cc3ccccc3)c2cc1C 1857539742 ZMWCEADFSQNQFV-UHFFFAOYSA-N 331.419 4.328 0 1 EIAF Cc1ccc(C)c(Nc2ncccc2C(=O)NCc2cccs2)c1 4217723 ZOKWMXAWMBRWRQ-UHFFFAOYSA-N 337.448 4.434 0 3 EIAF C/C=C/c1cc(OC)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](C)O2 13340006 HDXJIAOVHJAFLG-OTBILJLCSA-N 342.391 4.344 0 1 EIAF CCOC(=O)c1oc2cc(-c3ccc(OC)cc3)cc(O)c2c1C 28367057 VDAJBVIDXQNWAL-UHFFFAOYSA-N 326.348 4.299 0 1 EIAF Clc1ccc(Cn2cnc3c(-c4ccco4)ncnc32)c(Cl)c1 28476200 AKEJNRTXIHPPLR-UHFFFAOYSA-N 345.189 4.441 0 1 EIAF C[C@H]1CN(C(=S)NCc2ccccc2Cl)N=C1c1ccccc1 40393228 LYAPLKXTQDRNTM-ZDUSSCGKSA-N 343.883 4.071 0 1 EIAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(O)C1 238783654 GFLGDURTANEUKG-DPDLHNOKSA-N 346.467 4.279 0 1 EIAF O=Cc1cc(Br)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 586981457 CXWFDUNALSSQQC-UHFFFAOYSA-N 337.123 4.083 0 1 EIAF CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)c1ccc(C)cc1 587206409 MEXPMWYIKFFUFB-INIZCTEOSA-N 341.842 4.253 0 1 EIAF COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1C 587401287 VSIMCIQPRNLVOH-SFHVURJKSA-N 325.408 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCSc3ccc(C)cc31)O2 587414198 LKNMKXVOHDFUQS-IBGZPJMESA-N 325.433 4.242 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OC)c(C)c1C)[C@@H](C2)C3=O 587442790 LUFUGAOCJLRMQJ-KKSFZXQISA-N 338.403 4.118 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1F)CC2=O 587467962 VGANPFGFODHSIE-HXUWFJFHSA-N 344.382 4.373 0 1 EIAF O=C1C[C@H](c2cc(Cl)cnc2F)Oc2c1ccc1c2CCCC1 587506368 JXXGSOFBQLNRQR-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF COCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522397 LPSFVHVBQWWMQA-JOCHJYFZSA-N 336.431 4.463 0 1 EIAF O=C(O)CC[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531336 YZDWTZSQVWBELT-QVKFZJNVSA-N 342.435 4.324 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC21CCCC1 587605206 YGCVRKDPDKSNHA-DYESRHJHSA-N 336.387 4.447 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(F)F)CC2)N1 587717801 MHXDWZSJKCWFSD-MADCSZMMSA-N 334.179 4.209 0 1 EIAF CC1=CC2(C=C(C)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587828889 ATTDZNCGIIQYKL-VIFPVBQESA-N 338.220 4.156 0 1 EIAF C[C@H]1CCCC[C@H]1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876281 NEFZZHPGAHFUPW-GXFFZTMASA-N 331.416 4.096 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3cncc(OC)c3[nH]2)cc1 587937568 PLQZFLZFCFOGII-IBGZPJMESA-N 345.402 4.155 0 1 EIAF Nc1ccc2c3c1[C@]1(C=COc4c(Cl)cc(Cl)cc41)N(CC3)C2 962962690 TVRCMIBXHUZNSN-GOSISDBHSA-N 345.229 4.097 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(C(=O)OC)cs1 963244351 WDNINBJGXJFEPH-FZKQIMNGSA-N 329.465 4.281 0 1 EIAF CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 1857585732 UQONFGFDYFZJSG-HXUWFJFHSA-N 333.435 4.005 0 1 EIAF Cc1cccc(N2CCN(CCCSc3ccccc3)CC2)c1 28886902 ZHUHEUSMACZXIP-UHFFFAOYSA-N 326.509 4.299 0 1 EIAF in-vivo CCC[C@@H](CC1(C(=O)N[C@H](C)c2ccccc2)CCCC1)C(=O)O 34803253 SHLVYFJZGOGWOK-WBVHZDCISA-N 331.456 4.315 0 1 EIAF Cc1csc(NC(=O)c2cc(Oc3cccc(F)c3)ccc2N)n1 40915505 ZNNSKSYJFYYUHG-UHFFFAOYSA-N 343.383 4.217 0 1 EIAF Cc1noc(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C 43197407 YCRPDBNNDVYMBL-UHFFFAOYSA-N 338.451 4.498 0 1 EIAF O[C@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc(F)cc1F 84758431 CTGKEWQPUSZCPT-OAQYLSRUSA-N 343.417 4.263 0 1 EIAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)[C@H]1[C@@H](O2)C1(C)C 95486275 NGRRXMZEVSBATO-YHJVDBJQSA-N 336.387 4.286 0 1 EIAF biogenic,in-vitro CCCCC[C@H](O)/C=C/C=C/C/C=C\C=C\[C@@H](O)CCCC(=O)O 96014687 UXGXCGPWGSUMNI-OIZLPRBOSA-N 336.472 4.158 0 1 EIAF in-man Cc1c(N(CCF)S(=O)(=O)c2ccccc2)sc2ccccc12 115231794 NXNAVKUGHWLZQM-UHFFFAOYSA-N 349.452 4.375 0 1 EIAF c1csc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)c1 221264888 DURMUYRVTJDGJL-AWEZNQCLSA-N 342.493 4.002 0 1 EIAF CO[C@@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C(CC[C@H](C)CCO)=C1C 238760997 RIGFHPGAZTYDKY-FCIDTRQKSA-N 338.532 4.324 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005905 YYKRHBJSCCBJML-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Cc1nc(COc2cccc(-c3nc4c(C)ccnc4[nH]3)c2)cs1 587020525 UTORRUFOZPRPCK-UHFFFAOYSA-N 336.420 4.277 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cncc(Cl)c2[nH]1 587027238 RUHVZLZNRCVPTQ-UHFFFAOYSA-N 330.800 4.227 0 1 EIAF Cc1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1C 587038402 HIPCSSRKNWKHTP-UHFFFAOYSA-N 345.428 4.045 0 1 EIAF Clc1ccccc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCO4)co1 587060339 BKDHUEQKMPUVBT-UHFFFAOYSA-N 339.738 4.267 0 1 EIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)cc(F)c2[nH]1 587110002 ZSTISMLONAPTRW-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF Fc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136363 OZSBQUJDRHCTJM-UHFFFAOYSA-N 327.103 4.410 0 1 EIAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587151181 QPBJGEZPEBUZPN-YVMONPNESA-N 342.345 4.117 0 1 EIAF COc1cc(C)c(N)c(-c2nc3cc(C)cc(Br)c3[nH]2)c1 587250363 NJQQBIJMCFMGEZ-UHFFFAOYSA-N 346.228 4.200 0 1 EIAF CCCOc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587399876 MROXWCIAWNJBPF-FQEVSTJZSA-N 325.408 4.247 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CC=C(c4ccccc4)CC1)[C@@H](C2)C3=O 587447848 WEZACFKIOLSYDW-PGRDOPGGSA-N 332.399 4.449 0 1 EIAF Cc1nc2ccccn2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587515507 OYVWKFSJPNXVQQ-QFIPXVFZSA-N 346.430 4.402 0 1 EIAF O=C1C[C@@H](c2ccc3nccnc3c2)Oc2c1ccc1c2CCCC1 587528051 WLRLMMRPSHIDEX-FQEVSTJZSA-N 330.387 4.215 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2F)N1 587727975 QHITWCWDISDESK-UHLUBPPHSA-N 344.224 4.412 0 1 EIAF CCCCC(=O)[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963002670 DAESVKIFUJEABR-LJQANCHMSA-N 328.481 4.176 0 1 EIAF Cc1cn2c([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)c(C)nc2s1 963107011 NQVJFSMOCRMULV-CRAIPNDOSA-N 341.455 4.262 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(C)ccc2ncccc12 963259763 UKXQHKYHPSAVBQ-HXUWFJFHSA-N 338.838 4.440 0 1 EIAF Cn1c2c(c3ccccc31)[C@]1(CCC2)c2nc(Cl)cc3c2CCN1C3 963467721 GOHJAMGMGVBCJQ-OAQYLSRUSA-N 349.865 4.178 0 1 EIAF Cc1c(Sc2cccc(C(=O)O)n2)c2ccc(Cl)cc2n1C 1772607844 MMBGEEFHVUPPGL-UHFFFAOYSA-N 332.812 4.385 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC2=C(C)CC[C@H](C(C)C)[C@H]2C=C1C(=O)OC 2356692217 NWOSQAZFIFOMOK-GCVCFTOTSA-N 348.483 4.446 0 1 EIAF CCCN(Cc1cccs1)C1Cc2cc(OC)c(OC)cc2C1 13471411 LRTGTBXTPZBIRL-UHFFFAOYSA-N 331.481 4.145 0 1 EIAF C[C@@H](NCCCCc1ccccc1)[C@H](O)c1ccc2c(c1)SCC2 34778361 LOJKFYVLCQYUSW-IERDGZPVSA-N 341.520 4.369 0 1 EIAF O[C@H](c1ccc(OCc2cccc(Br)c2)cc1)C1CC1 66251398 IVSVURRADAWCBU-KRWDZBQOSA-N 333.225 4.472 0 1 EIAF CCN(Cc1ccncc1)Cc1coc(-c2ccccc2Cl)n1 72182123 WZNBRBAKEMESPA-UHFFFAOYSA-N 327.815 4.412 0 1 EIAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)cc1Cl 225952284 SNYZZKKVKCUZEG-UHFFFAOYSA-N 348.189 4.154 0 1 EIAF CC(C)=CCc1cc(-c2coc3cc(O)ccc3c2=O)c(O)cc1O 238753314 GRTQKTZKFPAJMA-UHFFFAOYSA-N 338.359 4.086 0 1 EIAF CC(=O)OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 253632592 AUASRRWSKHUBGZ-UYHYCVOQSA-N 347.458 4.269 0 1 EIAF Cc1cc(Br)cc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897223 VQZKKNLISFFSLK-UHFFFAOYSA-N 343.224 4.419 0 1 EIAF Oc1nc2cc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c3cc2[nH]1 586897240 WHHQYYKBWJHMBT-UHFFFAOYSA-N 342.358 4.184 0 1 EIAF O[C@H]1C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc21 586902450 KVXHFSXZTDSLHO-RISCZKNCSA-N 347.187 4.034 0 1 EIAF O=C1CCc2cc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3cc2N1 587023965 UASSMHCLPZLUBY-UHFFFAOYSA-N 346.415 4.238 0 1 EIAF Cc1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 587031513 IHOCTFBNOOPKSP-UHFFFAOYSA-N 349.253 4.435 0 1 EIAF Cc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Cl 587042215 JYKWMOFZLFJMND-CYBMUJFWSA-N 337.876 4.145 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=N)N)cc2[nH]1 587061414 GLRCVMRSGFKRJG-AWEZNQCLSA-N 328.803 4.030 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3cc(Cl)cnc3[nH]2)ccn1 587092701 ZAJUBYFYEJGVMA-UHFFFAOYSA-N 344.749 4.328 0 1 EIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 587114010 PZJGXFAJVYWMIB-NSHDSACASA-N 334.341 4.420 0 1 EIAF CCOc1c(Cl)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587375405 MNEHIRXICXSAPX-INIZCTEOSA-N 331.799 4.336 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(F)c(C)c1)(C1CC1)[C@@H](C2)C3=O 587424610 QAUITAIPPUIADE-KKSFZXQISA-N 338.378 4.196 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](C[C@H](C)C(=O)OC(C)(C)C)CC2=O 587482798 JLCMCSICGAOJFG-QWHCGFSZSA-N 348.439 4.046 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3nc1C)CC2=O 587492813 XOTIYWUEYNCNSR-LJQANCHMSA-N 348.402 4.303 0 1 EIAF COCC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790273 FGSXCGOGNGHRCT-MEDUHNTESA-N 344.268 4.010 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587824001 SVPVXXCGLDKCGZ-QNNXZPLKSA-N 336.248 4.376 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Cl)cc1F 587871353 UOYOUMWQJAHELE-UHFFFAOYSA-N 335.741 4.265 0 1 EIAF COc1ccc(CCCc2nc3ccc(SC)cc3[nH]2)c(OC)c1 587928365 DXBLZPITWPIJJT-UHFFFAOYSA-N 342.464 4.477 0 1 EIAF Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(=O)n1CC(C)C 653862704 DQGLCUVKAXPIQI-UHFFFAOYSA-N 338.373 4.444 0 1 EIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1ccoc1 962957204 NXNCQOOCFCGAPO-INIZCTEOSA-N 337.341 4.039 0 1 EIAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2cccc(F)c2)N1c1ccc2nc[nH]c2c1 1772605940 AXGOBNZDSAVKKO-SQGPQFPESA-N 345.377 4.148 0 1 EIAF CC(=O)Nc1cccc(-c2cn3c(-c4cccs4)cnc3cn2)c1 1857610649 VLYGFSKAJSQCCK-UHFFFAOYSA-N 334.404 4.083 0 1 EIAF C[C@H]1CN(c2snc3ccc(-c4ccc(F)cc4)nc23)C[C@@H](C)O1 1911577228 PBMVUXOTICHJNP-TXEJJXNPSA-N 343.427 4.111 0 1 EIAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356419206 KCXUKADVTVDPOM-KSOKIZOSSA-N 329.528 4.240 0 1 EIAF CC1=CCC[C@H](CO)CCC[C@H](CO)CC[C@@H](C(C)(C)O)CC1 2356455794 IMYZDXCIXGESSX-FHWLQOOXSA-N 326.521 4.061 0 1 EIAF CCN(CC)C(=O)[C@H]1CCCN(C2CCC(c3ccccc3)CC2)C1 5092837 NLQFUFFHJJDLDB-KBWCOIMZSA-N 342.527 4.293 0 1 EIAF O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)nnn2C1CCCC1 8600120 BRZWPUKEKSPDBS-UHFFFAOYSA-N 342.349 4.077 0 1 EIAF COc1ccc2c(c1)O[C@H](c1cccnc1)[C@H](c1ccccc1)C2=O 13220619 BCPRALJNRUBHRE-TZIWHRDSSA-N 331.371 4.190 0 1 EIAF C[C@@]1(CC(=O)O)OCCc2c1sc1c(Cl)ccc(Cl)c21 13980186 NXPSPUNCVVZAHS-AWEZNQCLSA-N 331.220 4.471 0 1 EIAF Clc1ccc([C@@H]([C@H]2Cc3ccccc3O2)n2cncn2)c(Cl)c1 26250227 ZSINOYZZEZDTLK-SJORKVTESA-N 346.217 4.178 0 1 EIAF COc1cc2c(cc1OC)-c1nc(Nc3ccc(C)cn3)sc1C2 66075462 IZWLZGBHIRYLMT-UHFFFAOYSA-N 339.420 4.179 0 1 EIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccccc1 103954871 SCSCVHOEZLJPSL-CYBMUJFWSA-N 339.420 4.118 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586882552 XSNZDJMGCDMSPK-UHFFFAOYSA-N 349.434 4.184 0 1 EIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586887885 JPVCUDJVIQHGLR-NOZJJQNGSA-N 336.222 4.410 0 1 EIAF C[C@@H](SCc1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586964293 XEVSWECSDKLUNU-CYBMUJFWSA-N 339.464 4.259 0 1 EIAF Nc1ccc(-c2ccc3nc(-c4ncccc4Cl)[nH]c3c2)cc1N 587065824 YLLWROOWQFQOLY-UHFFFAOYSA-N 335.798 4.110 0 1 EIAF O=C(CCCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)cn1 587081844 HLHITBLCXHUXRN-UHFFFAOYSA-N 335.741 4.095 0 1 EIAF NC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084046 SSPBRYPMTVQMDA-UHFFFAOYSA-N 348.793 4.044 0 1 EIAF COc1cc(OC)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587085359 URWQDZVOISPXFS-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587115661 VIFWRKYFCIWJLH-UHFFFAOYSA-N 332.207 4.058 0 1 EIAF COc1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587135921 IFNUKOKBSCNCJY-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(O)c2[nH]1)C1CCCC1 587226114 PDZREYOOWRGUSN-AWEZNQCLSA-N 331.416 4.025 0 1 EIAF C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358867 YVIVSGSXISNVLC-ICSRJNTNSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1OCC1CC1)O2 587398588 FTFPFMQVDPAQQQ-FQEVSTJZSA-N 337.419 4.381 0 1 EIAF CC[C@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439704 MMRKHLHMMARRFB-LSWYUMSHSA-N 338.403 4.361 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2)N1 587818294 HSVQVANQHJQLQH-APPDUMDISA-N 334.232 4.406 0 1 EIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587937963 RJKKBMFNTCBJTC-JDNHERCYSA-N 334.778 4.201 0 1 EIAF O=C(O)C[C@@H]1COc2cc(OCc3cccc(-n4cccc4)c3)ccc21 653724786 UBTDWIBVVUWSFE-MRXNPFEDSA-N 349.386 4.007 0 1 EIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(C(F)(F)F)cn1 963111751 REJHLGCNDHIUKV-PBHICJAKSA-N 336.332 4.349 0 1 EIAF O=C(O)C[C@@H](C=CCCCCCCCC[C@@H]1C=C(CO)CC1)CO 2356366492 KFPSXIUIQQIXCJ-ZWKOTPCHSA-N 338.488 4.075 0 1 EIAF CCCC(=O)c1c(O)ccc2c1Oc1cccc(O)c1[C@@H]2C[C@@H](C)O 2356834826 KEYSMLGWCOGLMJ-DGCLKSJQSA-N 342.391 4.089 0 1 EIAF Cc1ccc(C(=O)N2[C@H]3C=C[C@H](C3)C2(C(F)(F)F)C(F)(F)F)cc1 128581 GUAQAAUEJQSNKZ-NEPJUHHUSA-N 349.274 4.259 0 1 EIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N(C)C 4294918 AIJREPSKMXDITA-MOPGFXCFSA-N 346.471 4.187 0 1 EIAF CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 6755708 ACAVXDBUABGPBE-GOSISDBHSA-N 342.826 4.436 0 1 EIAF CN(C(=O)c1cc2cc(O)ccc2n1C)c1cccc(C(F)(F)F)c1 13652178 OZJYBLHWNGUHKW-UHFFFAOYSA-N 348.324 4.179 0 1 EIAF COc1ccc2c(c1)O[C@H]1c3ccc4c(c3OC[C@H]21)C=CC(C)(C)O4 14708301 LQTXWAQTXRQFQG-UZLBHIALSA-N 336.387 4.489 0 1 EIAF biogenic COc1ccc([C@@H]2CCc3cc(CC(=O)O)cc(Cl)c3N2)cc1 29320836 ZRKBGKDFLYJUFK-INIZCTEOSA-N 331.799 4.075 0 1 EIAF CCCCC/C=C/C/C=C/C/C=C/C[C@@H](O)[C@H](O)CCCC(=O)O 33822361 GFNYAPAJUNPMGH-ZFUDPFKYSA-N 338.488 4.382 0 1 EIAF CCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@H]1c1ccccc1 33957046 UVBNYVYRLVXIFP-CZMIQIQISA-N 345.490 4.455 0 1 EIAF CCNc1ccnc2sc3c(=O)n(-c4ccc(C)cc4)ccc3c12 35284355 FFHLEUXCUVULKP-UHFFFAOYSA-N 335.432 4.341 0 1 EIAF O=C1OCC(Nc2cc(Cl)cc(Cl)c2)=C1c1ccc(O)cc1 72118456 NNOZMQDXMZLPIB-UHFFFAOYSA-N 336.174 4.079 0 1 EIAF COC(=O)c1cc(Nc2ccc(OC)c3ccccc23)ccc1OC 95554596 BLYQDFDPIMXDAN-UHFFFAOYSA-N 337.375 4.387 0 1 EIAF Fc1cccc(F)c1C1=N[C@@H](c2ccc(Br)cc2)CO1 98082143 BTHSKBNIIDWPDA-CYBMUJFWSA-N 338.151 4.245 0 1 EIAF Clc1ccc([C@@H]2[C@H]3CC[C@@H](C3)[C@]23CCC(N2CCOCC2)=N3)cc1 100367387 KIYTZWUWLDEAMW-XAMWDVODSA-N 344.886 4.117 0 1 EIAF in-man CCC(=O)[C@@H]1[C@@H](c2ccc3cc(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 100794018 NBXHPPSAAQZXHP-JWUVWSEFSA-N 337.463 4.394 0 1 EIAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1ccc(OC)cc1 103080092 VTUUPGVAMKWCIK-FQEVSTJZSA-N 349.430 4.255 0 1 EIAF CCCn1c2c(c(=O)n1-c1ccccc1F)[C@H]1CC[C@]2(C)C1(C)C 141486267 NWZNVVNRZFCYCL-XCLFUZPHSA-N 328.431 4.363 0 1 EIAF Nc1ncc(-c2cc3ccccc3s2)cc1C(=O)Nc1ccncc1 150151334 IGGCQUOVHYNLKC-UHFFFAOYSA-N 346.415 4.193 0 1 EIAF c1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299834855 CPZPQVHIEKHBJM-FQEVSTJZSA-N 333.435 4.087 0 1 EIAF COc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Cl 586890547 QOQNUEVLIHJBRQ-GTNSWQLSSA-N 330.815 4.370 0 1 EIAF CCc1oc2ccccc2c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586902616 DEGAKRSBZDKYLV-UHFFFAOYSA-N 331.375 4.423 0 1 EIAF Fc1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1Br 587023024 IFYHRAJYGKZTQR-UHFFFAOYSA-N 332.585 4.241 0 1 EIAF Nc1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(C(F)(F)F)c1 587095681 QDTFOHAEJWJNON-UHFFFAOYSA-N 328.297 4.379 0 1 EIAF Cc1ccc2c3c(cc(C[C@H](C)C(=O)O)nc13)-c1ccccc1C2=O 587100015 DBKWVAWJZWWYNW-LBPRGKRZSA-N 331.371 4.018 0 1 EIAF Cc1cnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 587164247 ZHWSRUXQGROTMV-UHFFFAOYSA-N 331.350 4.303 0 1 EIAF Cc1ccc(NC2(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CCCC2)cc1 587237278 PZMULWZXDMWURS-GOSISDBHSA-N 349.438 4.476 0 1 EIAF COc1ccccc1Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1 587240388 JDDJQPJLPSBSAM-UHFFFAOYSA-N 345.402 4.474 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)cn1 587247545 OEXTVIKJRSLYSZ-UHFFFAOYSA-N 346.793 4.402 0 1 EIAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587521101 ANNGGPLSUSCQNG-IBGZPJMESA-N 338.403 4.289 0 1 EIAF C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCCC[C@H]2N1 587527168 SYZGPBJELAWPGO-RCAWKPMRSA-N 339.479 4.210 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](C1CC1)C2 587601250 CJUDVAYCRXWZKI-IBZMOEQTSA-N 336.387 4.303 0 1 EIAF Cc1cc2ncc(-c3nc(-c4cc(F)ccc4F)cs3)cn2n1 587922150 JPTNMJSCVNECDT-UHFFFAOYSA-N 328.347 4.106 0 1 EIAF Cc1ccc(CN2CCO[C@H](CSc3ccccc3)C2)cc1C 653707178 PZYOBKWKADZRBF-IBGZPJMESA-N 327.493 4.297 0 1 EIAF CCCN1[C@@H](c2cc(OC)c3c(c2)OCO3)c2ccccc2C[C@H]1C 963237156 HFVAKHLOQYWIHV-VLIAUNLRSA-N 339.435 4.170 0 1 EIAF COc1cc(C2=CCc3c2ccc2c3ccn2C)cc(OC)c1OC 1772656984 OSSVBLHPEXEVOK-UHFFFAOYSA-N 335.403 4.192 0 1 EIAF COc1c(C(C)C)cc2c(c1O)C[C@]13CCC[C@](C)(C(=O)O1)[C@@H]3CC2 1857578929 ALFZLIORNLXGRD-NDXORKPFSA-N 344.451 4.115 0 1 EIAF COc1cc(OC)c2c(c1)C(=O)C[C@H]2c1ccc(Br)cc1 1857639302 FAYOFXNWMMQLMG-ZDUSSCGKSA-N 347.208 4.185 0 1 EIAF Cc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 324660 IWRRHHHVNZABNB-KRWDZBQOSA-N 347.418 4.065 0 1 EIAF O=C1c2ccccc2[C@]2(c3cccc(C(F)(F)F)c3)SCCN12 6583036 NQVXOEUFOSNBEE-INIZCTEOSA-N 335.350 4.109 0 1 EIAF C[C@H]1CN=C(CCCCCCCCCCCCC2=NC[C@@H](C)N2)N1 28865490 YMRLKVYNDHCAFF-HDICACEKSA-N 334.552 4.448 0 1 EIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1NCc1ccncc1 28957060 GJNHEQOPSNWTAY-QZTJIDSGSA-N 343.858 4.022 0 1 EIAF C[C@H]1CCC[C@@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@H](C)[C@H]32)N1C 29571332 FMPNFDSPHNUFOS-BFFVPFQRSA-N 345.527 4.419 0 1 EIAF C1=C(c2cccc(CNCCOc3cccc4c3OCO4)c2)CCC1 35259231 SHOKZDRFBVVMHZ-UHFFFAOYSA-N 337.419 4.151 0 1 EIAF O=c1c2ccccc2nc2n1CC/C2=C\c1ccc(C(F)(F)F)cc1 40872299 LPUTZHBOLQOJRR-ACCUITESSA-N 342.320 4.360 0 1 EIAF CCOC(=O)c1oc2cnccc2c1Nc1cnc2ccccc2c1 66098481 CQZDLONFRQFHPO-UHFFFAOYSA-N 333.347 4.296 0 1 EIAF COc1cc2cc[n+](CCc3cccc(Cl)c3)cc2cc1OC 72106553 ZHYDQROJAZXPGE-UHFFFAOYSA-N 328.819 4.041 0 1 EIAF CC(C)=CCc1cc2c(=O)cc(-c3ccc(O)cc3O)oc2cc1O 73165352 CFFDERDYMIPGLR-UHFFFAOYSA-N 338.359 4.086 0 1 EIAF O=C(Nc1ccccc1)[C@H]1C(=O)N(c2ccccc2)c2ccccc21 104652105 JIJZQOVCDASNQE-IBGZPJMESA-N 328.371 4.087 0 1 EIAF COc1ccccc1-n1c(O)c2c(c1O)C[C@@H](c1ccccc1)CC2 169691638 KFHJASRSEBXMPI-HNNXBMFYSA-N 335.403 4.170 0 1 EIAF C[C@@H]1[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 255232148 MDZRHDNUSKCTSP-BYHOLXJISA-N 328.544 4.207 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@@H]12 299815737 STSPSSDQNNGSJA-QBNLTVMGSA-N 340.555 4.005 0 1 EIAF CCCCn1c(/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O 299863715 PQNUJKWUVAIZDQ-PKNBQFBNSA-N 348.402 4.096 0 1 EIAF FC(F)(F)C(F)(F)c1cc2nc(-c3occ4c3CCC4)[nH]c2cn1 586904956 DVPUNWHREKTIIL-UHFFFAOYSA-N 343.255 4.361 0 1 EIAF Clc1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006402 MXUZVIAIGIOXCT-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF Cc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082309 NXNSCIROLCIZLF-UHFFFAOYSA-N 338.798 4.425 0 1 EIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587163925 OXLJMYSSOALDMM-ZDUSSCGKSA-N 339.201 4.055 0 1 EIAF COc1ccccc1C[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398278 DQACLHPIYXHCGQ-OAQYLSRUSA-N 339.435 4.189 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cc(C)nc4ccccc14)[C@@H](C2)C3=O 587436835 URQAFXSDCSRHPE-HRAATJIYSA-N 331.371 4.041 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nccn1-c1ccccc1)CC2=O 587470830 MMOFVAUXXYUKHO-IBGZPJMESA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(CC)c1C)CC2=O 587474474 FMBUMMBEEBKSDW-HXUWFJFHSA-N 342.439 4.059 0 1 EIAF COc1n[nH]c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587525598 OHSBXLDPPNPMRK-IBGZPJMESA-N 348.402 4.157 0 1 EIAF CCC(=O)C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813955 RFINVWMVFSEUOI-MGPLVRAMSA-N 342.252 4.097 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587952363 POIMIZDORUVHCH-LPOXYFBYSA-N 330.432 4.333 0 1 EIAF COc1cccc(-c2nc(Nc3cccc(O)c3)c3cccnc3n2)c1 1772643176 FSNBSDWGEVEOQB-UHFFFAOYSA-N 344.374 4.150 0 1 EIAF N=C(N)CCCCCCCCCCCOc1ccc(C(=N)N)cc1 1857590080 PCPKCPIJNIHCCD-UHFFFAOYSA-N 332.492 4.186 0 1 EIAF COc1ccc(Cl)cc1N(C)C(=O)Cc1noc2ccc(C)cc12 6839353 LCNVIZRTQJYHGK-UHFFFAOYSA-N 344.798 4.004 0 1 EIAF COc1ccc2cccc(CCNC(=O)CCc3ccccc3)c2c1 13738643 BFHKOOCZAHZTMJ-UHFFFAOYSA-N 333.431 4.140 0 1 EIAF CC(C)=CCc1cc2c(cc1O)OC[C@@H](c1ccc(O)cc1O)C2 14819420 VQAHBCDRILEHTM-HNNXBMFYSA-N 326.392 4.031 0 1 EIAF biogenic CCOC(=O)COc1cc(-c2ccccc2)nc2cccc(CC)c12 26675081 WHOVLUODIQYOST-UHFFFAOYSA-N 335.403 4.406 0 1 EIAF CCCCc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)nc1 28755509 CMFKHTMJABDHJT-UHFFFAOYSA-N 334.423 4.197 0 1 EIAF Nc1nccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 29128402 VRVZDJZJYBNUEU-UHFFFAOYSA-N 339.786 4.023 0 1 EIAF CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1)c1ccccc1 34261005 WSFJEDKBRTZTPH-GOSISDBHSA-N 347.351 4.381 0 1 EIAF CCC[C@H](CC1(C(=O)N[C@H](C)c2ccccc2)CCCC1)C(=O)O 34803256 SHLVYFJZGOGWOK-NVXWUHKLSA-N 331.456 4.315 0 1 EIAF O=C(N[C@@H]1CCC(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 40379622 YLXHOWOGGUBTKS-OAHLLOKOSA-N 334.202 4.441 0 1 EIAF CCn1ccc2cc(Cc3ccc(OC)c(OC)c3OC)ccc21 45351136 FNXJOWAUIWCZAI-UHFFFAOYSA-N 325.408 4.278 0 1 EIAF CC(C)(Cc1cccc2ccccc12)NC[C@@H](O)COc1ccccc1 45496733 PJHBLXHDNLLBTE-HXUWFJFHSA-N 349.474 4.190 0 1 EIAF O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc(Cl)c1O 64447738 KTNXBRHUYBEBOB-UHFFFAOYSA-N 332.661 4.309 0 1 EIAF O=c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1O 95561456 OAPXMARAIVEYNC-UHFFFAOYSA-N 331.293 4.438 0 1 EIAF COc1cc2nc(Cl)nc(Nc3ccc(O)c(C)c3)c2cc1OC 95563902 DHFVDFINDWUHQM-UHFFFAOYSA-N 345.786 4.058 0 1 EIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 103666455 SGPFPNTZGGCFHK-LYHOESIGSA-N 333.391 4.456 0 1 EIAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ncsc12 167794093 LWIGZYQZGDSMIX-UHFFFAOYSA-N 339.351 4.425 0 1 EIAF CCc1ccnc2c(N[C@H](C)CCCNC(C)C)cc(OC)cc12 169334212 SADBNOJGPZHIDJ-OAHLLOKOSA-N 329.488 4.384 0 1 EIAF C/C=C1/[C@@H](OC)O[C@@H]2C[C@H]1C[C@H]1c3c(c4ccccc4n32)CCN1C 238769473 JBSGCOASAIDQQP-UHZNWIRASA-N 338.451 4.028 0 1 EIAF COc1ccccc1-c1cc2c(NCc3ccccn3)ncnc2s1 299861369 KXVKQFSFLGKPSC-UHFFFAOYSA-N 348.431 4.374 0 1 EIAF Cc1ccc(-c2nn(C[C@@H](C)c3ccccc3)c3ncnc(N)c23)cc1 473135479 IKMVQRBZNJAVOC-OAHLLOKOSA-N 343.434 4.188 0 1 EIAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)no1 586989707 PZJHGOIKNJSIMK-UHFFFAOYSA-N 328.327 4.115 0 1 EIAF Clc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cn1 587018221 YRXYBPNPEOHBKV-UHFFFAOYSA-N 348.218 4.450 0 1 EIAF C[C@@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2C1 587033160 FVEDOWAULMFPID-SNVBAGLBSA-N 326.421 4.187 0 1 EIAF OCCc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060857 OQPWFIVBQBKEBB-UHFFFAOYSA-N 339.782 4.073 0 1 EIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(F)c(F)cc2[nH]1 587109901 WLYIKASXZABOJU-UHFFFAOYSA-N 342.223 4.225 0 1 EIAF Nc1ccnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587164718 VQAZXCILMVKZDZ-JLHYYAGUSA-N 336.395 4.330 0 1 EIAF CSc1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587166709 HAMABMCPHYJADT-HJWRWDBZSA-N 327.384 4.076 0 1 EIAF COc1ncc(F)cc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 587175733 GJKBZUBRAIWZHO-UHFFFAOYSA-N 349.365 4.352 0 1 EIAF Nc1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cnc2c(F)cccc12 587175766 ATRWPOMOZMPMCE-UHFFFAOYSA-N 348.168 4.201 0 1 EIAF N=c1cc[nH]cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587248654 AHNPEOQAUKSXBS-UHFFFAOYSA-N 343.415 4.314 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3ccccc13)CC2=O 587481673 HGMIHQDHANHYFZ-QGZVFWFLSA-N 337.375 4.238 0 1 EIAF CC(C)(C)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652045 KFMYCWJQQLVJGF-UHFFFAOYSA-N 340.810 4.036 0 1 EIAF O=C(Cc1cccc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587652284 OLQJLBPUPGFOIS-UHFFFAOYSA-N 348.789 4.086 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc[nH]c32)N1 587801084 DIMSKKAJLZQCBF-BTDLBPIBSA-N 349.247 4.030 0 1 EIAF O=C1C[C@]2(NCCc3cc(-c4ccccc4)ccc32)c2ccccc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biogenic,in-vitro CN(CCCOc1ccc(F)cc1)Cc1cn(C)c2ccccc12 27308046 JGZVLWBUAUPRFA-UHFFFAOYSA-N 326.415 4.218 0 1 EIAF Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)O 27431060 KRWFYFMCWRXFNF-UHFFFAOYSA-N 344.461 4.340 0 1 EIAF C[C@@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCCO1 34801172 OHOUPBLLXCZHSW-AUXCKPCCSA-N 331.500 4.057 0 1 EIAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 101114857 HGNMYGRBKGXPFK-MHTWAQMVSA-N 335.447 4.093 0 1 EIAF CCCCC[C@@H]1O[C@@H]1[C@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)O 169622109 FMRVHRPEVIVXKX-UBYAXNGNSA-N 336.472 4.399 0 1 EIAF C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cc(Cl)cc(Cl)c2)c1O 169727162 IKINEOLQRJAILH-HZPDHXFCSA-N 340.206 4.450 0 1 EIAF C[C@]12CCN(C(=O)C3CCCC3)[C@H](Cc3ccc(O)c(Cl)c31)C2 201111074 GOGKPXQJMCLDCP-AUUYWEPGSA-N 333.859 4.041 0 1 EIAF CO[C@]1(C)/C=C/[C@](O)(C(C)C)CCC2=C[C@H](C/C(C)=C/CC1)OC2=O 238764774 SNVXMOVBQLWNPN-TZFLACSTSA-N 348.483 4.097 0 1 EIAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccccc3)c2)C[C@H]2CC[C@H]1N2C 253691563 GDTWDHOANPFJQI-XRXFAXGQSA-N 335.447 4.093 0 1 EIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccncc3[nH]2)cc1 586879353 HOFAWSLCMRNVLL-UHFFFAOYSA-N 329.359 4.299 0 1 EIAF O=C1CCC[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)CC1 586883904 IDNPNLGSZABMDS-MRVPVSSYSA-N 325.181 4.081 0 1 EIAF COc1nccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586979883 FIJQPLPZMUWCTP-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF Cc1c(F)ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 587108899 IKGCIWCXXGRWJB-UHFFFAOYSA-N 338.260 4.394 0 1 EIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccnc2[nH]1 587247918 XUALBRNABHBXND-UHFFFAOYSA-N 330.391 4.373 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(C)c(C)c3)c1)O2 587392103 QSHQMFSXOVDCCI-FQEVSTJZSA-N 347.418 4.086 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)ccc1O)[C@@H](C2)C3=O 587448852 HBRPGQGMBBEJIC-YWZLYKJASA-N 338.403 4.187 0 1 EIAF C[C@@]1(c2cc(Cl)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587498783 GWIVUVFDHFRUSC-IBGZPJMESA-N 327.811 4.494 0 1 EIAF CC(C)COc1cccc(OCc2nc3cc(Cl)cnc3[nH]2)c1 587565711 ISDQFQSWBBJQAY-UHFFFAOYSA-N 331.803 4.225 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1F 587571085 ZEGIHNYYPFFVHW-FXAWDEMLSA-N 336.318 4.234 0 1 EIAF CCOc1ccc(-c2[nH]c3cc(F)ccc3c2CC(=O)O)cc1F 587634151 BMUKMDJYYFCYHT-UHFFFAOYSA-N 331.318 4.139 0 1 EIAF C[C@H](CCC(=O)O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 587961613 VBWLSFPLQUCWAM-SSDOTTSWSA-N 345.624 4.022 0 1 EIAF C=Cc1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 621477433 JVGCZGDHXZJGFC-UHFFFAOYSA-N 341.418 4.113 0 1 EIAF COc1ccc(F)cc1[C@H]1C[C@@H]1CNC1(c2ccccc2OC)CC1 1772593608 UTOZUXHROYLHEJ-ZBFHGGJFSA-N 341.426 4.225 0 1 EIAF Cc1[nH]nc2c1C(c1ccc(Cl)c(Cl)c1)c1c(n[nH]c1C)O2 1772609738 GELZDNRYKWICBE-UHFFFAOYSA-N 335.194 4.342 0 1 EIAF Cc1cc(=N)[nH]c2cc(-c3ccc(C(F)(F)F)c(CN)c3)ccc12 1857577489 MWZAFNMVLDEGCT-UHFFFAOYSA-N 331.341 4.100 0 1 EIAF O[C@@H](CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 1857747384 XOEGTKLQDPBGOW-FQEVSTJZSA-N 347.380 4.317 0 1 EIAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NN)n1 1857767004 TYCRVWOTZVWPIN-UHFFFAOYSA-N 339.468 4.159 0 1 EIAF CCOP(=O)(OCC)[C@@H](Nc1ncccn1)c1ccc(C)cc1 1857774291 MKUJJOCPKWDXPS-OAHLLOKOSA-N 335.344 4.162 0 1 EIAF CCC(=O)N(c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1N(C)C 28238674 VNZSGKMAKZYOGZ-HUUCEWRRSA-N 329.271 4.219 0 1 EIAF O=C1CCc2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 28572530 FYCKIQFGPNGXJP-UHFFFAOYSA-N 335.112 4.327 0 1 EIAF O=C(OCc1ccccc1)c1coc(-c2ccc(Cl)c(F)c2)n1 49052415 XJFSEGBENFFBFW-UHFFFAOYSA-N 331.730 4.491 0 1 EIAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 95555309 DZPXGKJWGJRSKF-QUCCMNQESA-N 344.861 4.303 0 1 EIAF Clc1cccc(-n2nnnc2SCc2ccccc2)c1Cl 95771668 NVKJCMXZORLWBX-UHFFFAOYSA-N 337.235 4.261 0 1 EIAF Cc1cccc2c1N(C(=O)CSc1ccc(Cl)cn1)CCC2 113622755 AADFPUIVOUZLOS-UHFFFAOYSA-N 332.856 4.115 0 1 EIAF CN1Cc2cc(-c3cccnn3)ccc2[C@H](c2cc3ccccc3o2)C1 165132860 UBPCUEVRWJIHLS-LJQANCHMSA-N 341.414 4.467 0 1 EIAF C[C@]12CC[C@H]3[C@H]4Cc5cc(C=O)oc5C[C@@H]4CC[C@@H]3[C@H]1CC[C@@H]2O 169320651 YEOOFMLWOGDHOL-JISLRBOXSA-N 328.452 4.020 0 1 EIAF C[C@H]1CCc2sc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2C1 587033156 FKZNSIOVQGVKPE-ZETCQYMHSA-N 338.358 4.225 0 1 EIAF COc1c(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F 587134453 GJFQXAJPMHAKGU-UHFFFAOYSA-N 344.239 4.415 0 1 EIAF Cc1c(F)ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587148003 XNUNHXIOPTXBBR-UHFFFAOYSA-N 342.324 4.356 0 1 EIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc3c(c2[nH]1)CCCC3 587174794 MIBVETHFAYJGHY-KRWDZBQOSA-N 348.425 4.305 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)on1)O2 587415386 ZQRVQXCVJHEXGF-CQSZACIVSA-N 326.377 4.000 0 1 EIAF COC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529778 BTBZMJIIBWVNIY-MRXNPFEDSA-N 342.416 4.120 0 1 EIAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530666 GMZXAQURNBWKCL-OAHLLOKOSA-N 342.416 4.120 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2Cl)N1 587697158 MRLVJJYXDJMOND-NXSYQRQQSA-N 343.627 4.193 0 1 EIAF COc1ccc(C=O)c(-c2nc3cc(Cl)c(C)cc3[nH]2)c1OC 587786140 IMIXUFDXWGPTCD-UHFFFAOYSA-N 330.771 4.021 0 1 EIAF O=C(c1c(F)cccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873973 NOEQEKAJGRNDRP-UHFFFAOYSA-N 332.693 4.276 0 1 EIAF CCCC/C=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587964886 DRGLVTLCGRTBSM-WAYWQWQTSA-N 332.347 4.060 0 1 EIAF Cc1sc2c(c1C)CCN[C@H]2c1cc(O)cc(C(F)(F)F)c1 963027676 QISOFBVVRFCRSW-AWEZNQCLSA-N 327.371 4.324 0 1 EIAF C[C@H]1S[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2NC1=O)OCO3 1772606753 GZPDGZQJBIKHCW-ABKXIKBNSA-N 347.823 4.232 0 1 EIAF O=C(N=c1cc[nH]cc1)c1cc2ccc(-c3cccs3)nc2s1 1857636594 TWMQHWHMCGNBMI-UHFFFAOYSA-N 337.429 4.094 0 1 EIAF CC(C)c1ccc2c(c1)C(=O)C1(CCN(Cc3ccccc3)CC1)N2 1911583226 LWQVHIPXUILGAA-UHFFFAOYSA-N 334.463 4.453 0 1 EIAF Cc1c(Br)cc2nc3c(nc2c1C)C(=O)c1ccccc1-3 256419 BQAZWWDWRIQUBW-UHFFFAOYSA-N 339.192 4.221 0 1 EIAF O=C1c2ccccc2CC[C@@H]1C1CCN(Cc2ccc(F)cc2)CC1 13734273 FGSCFTOUFZMXKB-OAQYLSRUSA-N 337.438 4.483 0 1 EIAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 26500059 WYLVHBJTPIXZSO-LEZSPFLNSA-N 332.484 4.243 0 1 EIAF COc1cc(Cl)ccc1[C@](O)(c1ccccc1)c1cccnc1 27431693 VUGOEPFUNLHIBN-IBGZPJMESA-N 325.795 4.028 0 1 EIAF COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 28645040 AXPSYSNPKBQUGG-GDBMZVCRSA-N 338.451 4.087 0 1 EIAF biogenic COc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)Nc1ccccn1)CC2 28645046 AXPSYSNPKBQUGG-HOCLYGCPSA-N 338.451 4.087 0 1 EIAF biogenic O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2c(C3CC3)cccc21 28964741 QGUIWBVGCWJETD-GOSISDBHSA-N 332.407 4.249 0 1 EIAF Cc1ccc(NC(=O)c2cccc(F)c2)cc1C(=O)Nc1cccnc1 40895104 UONACKMRGBYWKM-UHFFFAOYSA-N 349.365 4.034 0 1 EIAF S=C(Nc1ccccc1)N1NC2=C(CCCC2)[C@@H]1c1ccco1 45340220 KFJULWOMXXXCAC-QGZVFWFLSA-N 325.437 4.366 0 1 EIAF Cc1ccccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)n1 64447962 PYRAASWZAHJFKG-UHFFFAOYSA-N 337.810 4.035 0 1 EIAF CC(C)Sc1nnc(COc2ccccc2)n1-c1ccccc1F 95595084 ZPNKECJPZPKTTB-UHFFFAOYSA-N 343.427 4.486 0 1 EIAF C=Cc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 586882064 SFLQKERRPWUJOM-UHFFFAOYSA-N 343.180 4.334 0 1 EIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587028592 STSLLAHOZCXXIQ-UHFFFAOYSA-N 334.326 4.407 0 1 EIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(OC)c(OC)cc3[nH]2)n1 587080576 QVQOGJLXVZFYPJ-VIFPVBQESA-N 334.807 4.068 0 1 EIAF O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c[nH]1 587106959 PLKJBBTUXHEWJJ-UHFFFAOYSA-N 340.338 4.140 0 1 EIAF Cc1[nH]c2ccccc2c(=O)c1CCc1cc2c3c(cccc3n1)CC2 587211167 AKTXWCMAIPQCHE-UHFFFAOYSA-N 340.426 4.269 0 1 EIAF CCC[C@@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2cc(C)cc(N)c2O1 587415008 XNODZRJBZFIITR-VLIAUNLRSA-N 331.456 4.287 0 1 EIAF COc1ccc([C@@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444964 XTZMRTOXDLCAFW-DYESRHJHSA-N 338.403 4.003 0 1 EIAF CC(C)(O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529013 HSJTYSUKZNRALX-QFIPXVFZSA-N 336.431 4.197 0 1 EIAF C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603200 NRFOBRDPJFJBPA-WIYYLYMNSA-N 332.355 4.269 0 1 EIAF COC(=O)[C@@H]1CCCC[C@]12NCCc1cc(-c3ccccc3)ccc12 962663185 GAPBLTLPFRZFQO-RBBKRZOGSA-N 335.447 4.058 0 1 EIAF CN1CCc2cnn(C)c2[C@H]1c1ccc(-c2ccccc2Cl)s1 963953689 CIYIRWISRYHBMJ-GOSISDBHSA-N 343.883 4.379 0 1 EIAF Cc1cc(C(=O)O)c2c(C(C)(C)C)nn(-c3ccc(Cl)cc3)c2n1 1857547518 VFNODLGERAGQMO-UHFFFAOYSA-N 343.814 4.378 0 1 EIAF O=C(Nc1nc2cc(-c3ccccc3)ccn2n1)c1cccc(Cl)c1 1857572978 ASHYTWNEUPFIOA-UHFFFAOYSA-N 348.793 4.302 0 1 EIAF O=C(Nc1cccnc1)C1=Cc2sc3c(c2CS1)CCCC3 20557396 MTLCXVHTQQWXPQ-UHFFFAOYSA-N 328.462 4.248 0 1 EIAF Cc1ccc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1C 26400037 HBFOGDJBWOOIKV-UHFFFAOYSA-N 342.395 4.189 0 1 EIAF CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)OCC(F)(F)C(F)(F)F 28371455 XSANZUMGYVBQLE-SEUFLZDSSA-N 342.304 4.069 0 1 EIAF OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1 28817184 RQPLUPANAPAMMF-UHFFFAOYSA-N 344.458 4.155 0 1 EIAF in-vivo COc1ccc(-c2nc(SC)n(C)c2-c2ccc(OC)cc2)cc1 40505813 KJZQESWRUPNAKL-UHFFFAOYSA-N 340.448 4.493 0 1 EIAF O=C([C@H]1Oc2ccccc2[C@@H]1CCc1ccccc1)N1CCCCC1 40584912 LHEBGDMFEHYIPS-FPOVZHCZSA-N 335.447 4.177 0 1 EIAF N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1 40935919 MFFXTUQUIRQOCK-KRWDZBQOSA-N 349.434 4.027 0 1 EIAF C[C@H]1C=CCCO[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 72138051 OMRBJTSGXXMHGP-YCRPNKLZSA-N 337.394 4.180 0 1 EIAF Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c(C)c1 114335044 FHLWBDTURRAKOU-HXUWFJFHSA-N 334.467 4.256 0 1 EIAF C[C@H](N=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 169718386 DBRLGDLEHDMLHK-NSHDSACASA-N 337.354 4.018 0 1 EIAF CC[C@H](C)c1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O 299887504 YZEGVKBKEDNAEA-OFQRWUPVSA-N 340.471 4.403 0 1 EIAF Cc1ccc(C)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 586998025 WFUCMVGURDFBOX-CQSZACIVSA-N 344.256 4.185 0 1 EIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(CO)cc2[nH]1 587066304 KPVVLQWVXUJWOX-UHFFFAOYSA-N 330.815 4.029 0 1 EIAF FC(F)(F)c1cccnc1-c1nc2cccc(Br)c2[nH]1 587109124 SUJANXPQVPJVCB-UHFFFAOYSA-N 342.118 4.406 0 1 EIAF Fc1c(F)c(F)c(/C=C/c2nc3cc(Cl)ncc3[nH]2)c(F)c1F 587133730 AURAHTZIPWSDPM-OWOJBTEDSA-N 345.658 4.477 0 1 EIAF C[C@H](Oc1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587169152 UKVDMZUJAFUUBQ-LURJTMIESA-N 328.240 4.398 0 1 EIAF Oc1ccc(Nc2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 587242467 MBJDOEJMFMDDFQ-UHFFFAOYSA-N 337.770 4.123 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1c(C)cccc31)O2 587395715 GOXRCNGBPBEHPW-NRFANRHFSA-N 332.403 4.174 0 1 EIAF COc1c(C)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587400188 OZWFURADSWHTTI-HXUWFJFHSA-N 325.408 4.083 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(C)(C)C)[C@@H](C2)C3=O 587438804 IAQWCWPKAJUIBP-YWZLYKJASA-N 338.403 4.361 0 1 EIAF CCCn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587515406 MGQCOOKQJXOQPL-OAQYLSRUSA-N 338.451 4.361 0 1 EIAF CC(C)(C)CC[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587528490 ACVAPJPMRMCFHL-FQEVSTJZSA-N 330.424 4.180 0 1 EIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)C 587862479 PEBWALRZLHMWTF-UHFFFAOYSA-N 326.318 4.264 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(OC)cc1 587871606 KYMZAALMISVKCL-UHFFFAOYSA-N 326.371 4.145 0 1 EIAF COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)cccc2[nH]1 587930312 OAFCIRFJUFQJAB-UHFFFAOYSA-N 334.297 4.016 0 1 EIAF CCc1cc2cc([C@@H]3NCCc4c(OC)ccc(Cl)c43)cnc2[nH]1 963257639 MBAKLOHAZUHQBM-SFHVURJKSA-N 341.842 4.022 0 1 EIAF C1=C2c3ccccc3CC[C@H]2N2C[C@H](OCc3ccccc3)C[C@H]2C1 1772606771 JJMUUUBBJGMAHR-TXTKFYIRSA-N 331.459 4.448 0 1 EIAF CSc1nnc(CCCCCO)n1-c1ccc(Cl)cc1Cl 1857616953 QQDYWQPYJRCAGT-UHFFFAOYSA-N 346.283 4.001 0 1 EIAF COc1cc([C@@H](O)c2nc(-c3ccccc3C)cs2)ccc1F 61908486 YZZDHBMCELKNHR-QGZVFWFLSA-N 329.396 4.348 0 3 EIAF COc1cccc([C@@](C)(O)c2nc(-c3cccc(F)c3)cs2)c1 61927945 DIESBTQHODYGCX-GOSISDBHSA-N 329.396 4.214 0 3 EIAF CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c4ccccc4c3C[C@H]2C1 3788134 YLTJLEXSNAEPFO-GAJHUEQPSA-N 346.474 4.252 0 1 EIAF COc1ccc2ccc(=O)oc2c1C(COC(=O)CC(C)C)=C(C)C 14611050 LTXCNOLBIGWYKD-UHFFFAOYSA-N 344.407 4.184 0 1 EIAF biogenic C[C@@H](O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26389602 YNZAQRSPHOQQKX-HPNFXPAHSA-N 347.543 4.093 0 1 EIAF O=C1CCN([C@H]2CCCC[C@@H]2OCc2c(Cl)cccc2Cl)C1 38422041 WGXAQCYMUFQJSA-IRXDYDNUSA-N 342.266 4.096 0 1 EIAF O=C1c2ccc(Br)cc2-n2ccc3c4ccccc4nc-3c21 59131434 PTIZIDHSSRNUKQ-UHFFFAOYSA-N 349.187 4.437 0 1 EIAF Clc1cccc(-n2nnnc2N[C@@H]2CCc3ccccc32)c1Cl 71334930 KOYDWMDBDUGTDQ-CYBMUJFWSA-N 346.221 4.069 0 1 EIAF CN(CCCNc1cc(-c2ccccc2F)ncn1)c1ccccc1 82162320 MULVVSWCEXUAPQ-UHFFFAOYSA-N 336.414 4.221 0 1 EIAF COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c(O)c1 84633641 FAQGNRKYALFJCX-UHFFFAOYSA-N 348.811 4.397 0 1 EIAF CCCCCCNC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CO[C@@H]1C2 100643542 COMCECHJTSVFRY-WRXXWZHPSA-N 337.504 4.009 0 1 EIAF CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3c(C)cccc32)C1(C)C 100714648 GZUWNHDNANLVKW-UXHICEINSA-N 338.471 4.126 0 1 EIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2C 101031400 XDCKKLJZZNMBOS-FCGDIQPGSA-N 341.476 4.154 0 1 EIAF CC1=C(c2cccnc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103180984 ZLQWDFDKDJUBGJ-UHFFFAOYSA-N 349.459 4.242 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]([C@H]2C[C@@H]53)[C@@H]41 195355190 NVLJYIBBEXBONT-NYXFIKRJSA-N 340.555 4.005 0 1 EIAF Cc1cc(-c2ccccc2C)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299820666 GQCMFJZTHXOKSA-WKILWMFISA-N 339.439 4.063 0 1 EIAF Fc1ccc(CNc2nc(N3CCCCC3)nc3sccc23)cc1 299840600 VNWQFBMUURMPSD-UHFFFAOYSA-N 342.443 4.433 0 1 EIAF Brc1cnc2[nH]c(CCc3cc4ccccc4o3)nc2c1 586904599 YQAVVFGHESUOLJ-UHFFFAOYSA-N 342.196 4.252 0 1 EIAF COC(=O)c1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028671 ZQXDTWIGXMZMQT-UHFFFAOYSA-N 335.388 4.140 0 1 EIAF Cc1cc(C)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587085093 NWOVKRCLWQCHIK-UHFFFAOYSA-N 341.846 4.007 0 1 EIAF Clc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c2ccccc2n1 587085644 YNSCCJRCTYYIPX-UHFFFAOYSA-N 337.766 4.203 0 1 EIAF Fc1cc(F)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 587120764 USFHEWFFPMXAAV-UHFFFAOYSA-N 338.239 4.403 0 1 EIAF c1ccc(CN2C[C@H]3CCc4c(nc5cccc6c5c4CC6)[C@@H]3C2)cc1 587211841 IQXSYOCMFQWNGZ-WIYYLYMNSA-N 340.470 4.495 0 1 EIAF Cc1cccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587224355 RUTJVYMSOUJLKI-FQEVSTJZSA-N 341.414 4.391 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c(C)c(C)[nH]c14)[C@@H](C2)C3=O 587436802 BCRGIOWNKUQRFL-KKSFZXQISA-N 333.387 4.282 0 1 EIAF CCCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587444849 VZFGHAFZGHVGLJ-IIBYNOLFSA-N 338.403 4.145 0 1 EIAF O=C1C[C@H](c2ccc3snnc3c2)Oc2c1ccc1c2CCCC1 587539031 UMYYLYQFTWNIRM-QGZVFWFLSA-N 336.416 4.277 0 1 EIAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(F)ccc12 587633846 LUONVDOEUNYANX-UHFFFAOYSA-N 338.260 4.174 0 1 EIAF Clc1cnc(Cl)c2[nH]c(COC/C=C\c3ccccc3)nc12 587780573 DJEIJKOYSYLHGV-DAXSKMNVSA-N 334.206 4.495 0 1 EIAF Cc1cnc(Cl)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc12 587971228 WQHYJQNDPSKRLT-UHFFFAOYSA-N 339.826 4.349 0 1 EIAF Cc1ccccc1-c1ccc(Nc2ccc(N3CCOCC3)cc2)nn1 4859035 HIQWIQQAWFLYDG-UHFFFAOYSA-N 346.434 4.032 0 3 EIAF COc1ccc2nc3oc(C(=O)Nc4ccccc4F)cc3cc2c1 429090 PBECLZCFKDZPCD-UHFFFAOYSA-N 336.322 4.381 0 1 EIAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2n1ccnn1 13509681 YIWNIULQOQYDHI-SOMHSPELSA-N 337.467 4.261 0 1 EIAF CCCN(CCC)c1nc(C)c(-c2ccc(OC)cc2OC)c(C)n1 13536107 YXLGKOZGFLIKCE-UHFFFAOYSA-N 343.471 4.404 0 1 EIAF C[C@H]1CCC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 26674180 QQZGEXJGCHWYKS-RGXPITOMSA-N 325.496 4.497 0 1 EIAF Cc1c(OCC2CC2)ccnc1CSc1nc2ccccc2[nH]1 29472166 XSFBUXYBMVATGY-UHFFFAOYSA-N 325.437 4.347 0 1 EIAF CNC1=Nc2ncccc2C(c2cccs2)=N[C@H]1c1cccs1 35930328 JBRNKNLCAPYPAD-HNNXBMFYSA-N 338.461 4.046 0 1 EIAF CCSc1c(C)on(C(=O)N(c2ccc(C)cc2)C(C)C)c1=O 38961727 VZBSEVOMVKZPLA-UHFFFAOYSA-N 334.441 4.053 0 1 EIAF NC(=O)c1ccc(-c2cc(-c3csc4ccccc34)cnc2N)cc1 45338227 QQFIGEGTDUUOMG-UHFFFAOYSA-N 345.427 4.311 0 1 EIAF CC[C@H](c1nc(SC(C)C)[nH]c(=O)c1C)c1c(F)cccc1F 72114835 OKMOPFLUSSYZEI-NSHDSACASA-N 338.423 4.399 0 1 EIAF COc1ccc(CNc2nccc3c2ncn3Cc2ccccc2)cc1 82081944 KXJWACPOVYRMEP-UHFFFAOYSA-N 344.418 4.100 0 1 EIAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(CC(=O)O)nn1 84706636 GRRULOSFKVKIJW-BTMZFSHUSA-N 331.460 4.324 0 1 EIAF COc1ccc2nc(NC(=O)Nc3c(F)cccc3F)sc2c1 103205298 PLRUCBGDWVVNCE-UHFFFAOYSA-N 335.335 4.227 0 1 EIAF O=N[C@@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 169717040 NMJRMLRDWRWFQR-IBGZPJMESA-N 343.858 4.360 0 1 EIAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCC(C)CC3)[C@@H]2CCC(C)=CCC1 299806091 FAEJVRZJKQNLJF-SLFFLAALSA-N 331.500 4.343 0 1 EIAF O=c1ccc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2o1 586916612 MNXNLQPRBNDUDZ-UHFFFAOYSA-N 341.164 4.099 0 1 EIAF Fc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1F 587006226 BDUDDIFGTZPHMU-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587059115 NMDPINATCLCOGR-QMMMGPOBSA-N 343.711 4.015 0 1 EIAF Cc1cc(Cl)cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 587068689 BAYHOIARSPXOFL-GFCCVEGCSA-N 334.250 4.463 0 1 EIAF Oc1c(Br)ccc2nc(-c3cc(S)ccc3F)[nH]c12 587140048 AEMDHQMJURSLBP-UHFFFAOYSA-N 339.189 4.126 0 1 EIAF Fc1cncc(Cl)c1Cc1nc2cccc(Br)c2[nH]1 587176060 LASAYAPSUBEVFW-UHFFFAOYSA-N 340.583 4.104 0 1 EIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587196126 REHPFYFGSILXCY-VIFPVBQESA-N 335.238 4.483 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)OC1(C)C)O2 587414968 WWSIPTGZDNURGL-RXVVDRJESA-N 337.419 4.221 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3[nH]cc(C)c3c1)CC2=O 587483820 MBHMGQUBLATJSH-SFHVURJKSA-N 336.391 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3)[nH]1)CC2=O 587487925 ZAVUXPORWSHZHL-IBGZPJMESA-N 348.402 4.441 0 1 EIAF CCOC(=O)C[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520977 BZJKYLUUOJUOJL-VFNWGFHPSA-N 342.435 4.023 0 1 EIAF CCCC[C@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587815131 YRAFGOCTSLQKKB-QLJPJBMISA-N 342.252 4.097 0 1 EIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccnc(Cl)c2[nH]1 587927323 PDOFDFLZLCBDIS-LLVKDONJSA-N 331.803 4.170 0 1 EIAF COc1cc(F)c2c(c1)[C@@]1(CCC2)NCCc2c1sc(C)c2C 963034056 XEJJUURZSWZACX-LJQANCHMSA-N 331.456 4.238 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(C(C)(F)F)cc1 963612132 RYYSZYROGNKWMV-BUXKBTBVSA-N 347.405 4.439 0 1 EIAF COc1cncc(CN2CCc3c(sc4ccc(F)cc34)C2)c1 1772601746 WFDGSFWIYOAXAE-UHFFFAOYSA-N 328.412 4.002 0 1 EIAF CCCN1CCc2cccc3c2[C@H]1Cc1cc2sc(=N)[nH]c2cc1-3 1911571634 KNULBJKHCVLGJQ-QGZVFWFLSA-N 335.476 4.241 0 1 EIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](C)(O)C3 2356376057 NQZVMGVMAPPTFX-RWRVNDKOSA-N 334.500 4.323 0 1 EIAF CC[C@H](C)C(=O)O[C@@H]1CC=C(C)CC[C@@H]2[C@@H](C=C1C)OC(=O)[C@@H]2C 2356588840 JMRFSMRCASRCOV-KTQBOKQISA-N 334.456 4.199 0 1 EIAF COc1ccc(-c2csc([C@@H](NC(C)=O)c3ccccc3)n2)cc1 61907847 KUWQTMJWFMPYAK-SFHVURJKSA-N 338.432 4.044 0 3 EIAF CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)c(C)c1 61925647 AYOPVSYNIFLWCM-UHFFFAOYSA-N 339.370 4.175 0 3 EIAF C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C 13477390 MYEVCMOLMLFGOC-QQZNOUBOSA-N 331.500 4.031 0 1 EIAF COc1ccc(OCCCCCCC(C(C)=O)C(C)=O)c(Cl)c1 39214255 BYBVSBMAAACEPS-UHFFFAOYSA-N 340.847 4.472 0 1 EIAF CCn1c(=S)sc2c(NC(=O)Nc3ccccc3F)ncnc21 45285650 ZGQWEAZTGIKKAM-UHFFFAOYSA-N 349.416 4.025 0 1 EIAF O=C(Cc1ccccc1)c1ccc2[nH]c(=O)c(-c3cccs3)nc2c1 84847068 HQSKDVJMJRGHNC-UHFFFAOYSA-N 346.411 4.077 0 1 EIAF c1cc2ccc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)cc2[nH]1 113876123 QNBWBURSLYDEDL-IBGZPJMESA-N 345.450 4.121 0 1 EIAF C[C@@]1(c2ccccc2)CC[C@H](NC(=O)Nc2cccc3[nH]ncc23)C1 149651848 HLGPATMBCZPXJD-MGPUTAFESA-N 334.423 4.195 0 1 EIAF CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169322259 YFWPHJWDVIVLDC-QZLKPZJXSA-N 343.511 4.175 0 1 EIAF COc1cc(/C=C\c2nc3cncc(C)c3[nH]2)ccc1Br 586977876 UWIYQLDGBXHMJL-XQRVVYSFSA-N 344.212 4.208 0 1 EIAF Cc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c(C)n1 587088328 XIRPIXJNCANSMK-UHFFFAOYSA-N 335.798 4.352 0 1 EIAF Fc1cc(Br)ccc1-c1nc2c(F)cnc(Cl)c2[nH]1 587142466 BDQHFYARLQVQTJ-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3[C@H]2C1)CC5 587211786 IIXMYIGQNYTINI-ZFWWWQNUSA-N 336.435 4.155 0 1 EIAF C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353915 PKIDCNYGYXZMRG-OACQNMCBSA-N 326.367 4.449 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](c1cncc(F)c1)(C1CC1)CC2=O 587471336 LBCSGDKNYYEUOE-HXUWFJFHSA-N 341.382 4.150 0 1 EIAF C[C@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587523809 IAJWEXARRBOXPH-OAQYLSRUSA-N 332.403 4.322 0 1 EIAF Cc1cncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587771798 DASZRYWPMDCWMF-APPDUMDISA-N 349.247 4.089 0 1 EIAF CCCN1CCc2cccc3c2[C@@H]1Cc1cc2sc(=N)[nH]c2cc1-3 1911571633 KNULBJKHCVLGJQ-KRWDZBQOSA-N 335.476 4.241 0 1 EIAF COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C=C[C@](C)(CC[C@@H]3[C@@]2(C)CC[C@H]1O)C4 2356383385 LFZKYFUJTHRDRN-LZKXGYOKSA-N 332.484 4.099 0 1 EIAF CC1(C)O[C@H](CCc2ccccc2)[C@@H]2C(=O)O[C@@H](C(C)(C)C)C[C@H]2O1 2356700815 GOQCQYCRBQFACB-TVFCKZIOSA-N 346.467 4.117 0 1 EIAF CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccccc1 206051510 IXGYOHTWSWNPNW-UHFFFAOYSA-N 333.435 4.444 0 3 EIAF Cc1coc2c1C[C@]1(C)[C@H](C)CCC[C@@]1(OC(=O)CC(C)C)C2=O 14453011 VQTCRCOTOAXTFE-JSNMRZPZSA-N 332.440 4.481 0 1 EIAF biogenic C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@H]2[C@@]1(C)/C=C/c1ccoc1 15162364 CZISMHZGGMHTGB-MWJQVGEZSA-N 330.424 4.127 0 1 EIAF COc1cc(N)c(Cl)cc1C(=O)CCCCCN1CCCCC1 26500157 RAKXSINQWYHKSZ-UHFFFAOYSA-N 338.879 4.160 0 1 EIAF CCOC(=O)c1ccc(OCCCCC(=O)c2cc(C)[nH]c2C)cc1 27889299 JFQCBGYZJIGTRM-UHFFFAOYSA-N 343.423 4.240 0 1 EIAF Cc1csc(C[C@@H]2[C@H]3CNC[C@]32c2ccc(Cl)c(Cl)c2)n1 45392532 PYIBCEOJEPANCH-XHBSWPGZSA-N 339.291 4.088 0 1 EIAF COc1ccc2c(c1)CC[C@H](Cc1ccccc1Br)C2=O 64417345 GKGZPFKBDIIBHB-CQSZACIVSA-N 345.236 4.446 0 1 EIAF in-vitro CCN1CC2CC1([C@@H](NC(=O)c1c(C)cccc1C)c1ccccc1)C2 68245427 CRHBNKXKYWDCGB-STDCAVTESA-N 348.490 4.259 0 1 EIAF COc1ccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)cc1 72103557 LKVCDDMCMDFKKR-LJQANCHMSA-N 325.795 4.028 0 1 EIAF COc1cc2c(cc1OC)[C@@H](N(C)C)C(c1ccccc1)=C2Cl 73369714 GFADEKHAHHJAFK-LJQANCHMSA-N 329.827 4.427 0 1 EIAF O=C1CCc2cc([C@H](c3ccccc3)c3ccncc3)cc3c2N1CC3 95595016 XTUAMKWTONRPOP-JOCHJYFZSA-N 340.426 4.097 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@H](C(=O)O)C3 103110043 YDAVVXOXSSFVPF-WWMBZLLNSA-N 348.483 4.273 0 1 EIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c2c1OCCCCO2 103271073 QTQZNEZESDQJCP-UHFFFAOYSA-N 338.359 4.020 0 1 EIAF C[C@H]1CCO[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C1 586917214 ODKFYNAILZIRGF-XVKPBYJWSA-N 335.276 4.100 0 1 EIAF Cc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br 586961385 IECZWCZGXFXPOU-VIFPVBQESA-N 349.257 4.277 0 1 EIAF CCOc1cc(/C=C\c2nc3ccc(C)nc3[nH]2)ccc1OC(F)F 587131227 XLJVPKCLLYUYQC-TWGQIWQCSA-N 345.349 4.437 0 1 EIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2n1 587153072 KHCKKMHDEBBRRS-UHFFFAOYSA-N 347.349 4.218 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Cl)c(Cl)c1)O2 587378211 ASQKFSKOPYMKNH-INIZCTEOSA-N 337.206 4.160 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1N1CCCC1)O2 587380549 ATZUTQBNYMGHJB-SFHVURJKSA-N 340.398 4.023 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3cc(O)ccc3c1)O2 587403346 GZDNPQJQNBXMBJ-NRFANRHFSA-N 333.387 4.317 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3c(C)cccc13)CC2=O 587486518 RKWDDWADDAUXKN-KRWDZBQOSA-N 336.391 4.236 0 1 EIAF CC(=O)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508037 XVNMDTLMZPAPNE-NRFANRHFSA-N 338.378 4.154 0 1 EIAF CC[C@H](C)OC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525900 WDFIWAYGIIVWQJ-RNODOKPDSA-N 330.424 4.021 0 1 EIAF CCOC(=O)CCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629871 LXOQEECZVAZAKI-UHFFFAOYSA-N 337.700 4.475 0 1 EIAF C[C@@H]1CC[C@@]2(C)[C@@](C)(O)CCC[C@@]23c2c(O)ccc(O)c2C[C@@]13C 653845390 KZOZFNNSDNJQOZ-HMZXVTOGSA-N 330.468 4.269 0 1 EIAF O=C(NCCc1nc(-c2cc(F)cc(F)c2)cs1)c1ccccc1 653846657 ZGCPKVWWQMRGOB-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF Cc1sc2c(c1C)CCN[C@@H]2c1ccn(CC2CCCCC2)n1 963025435 OHUJXEIOACICSZ-GOSISDBHSA-N 329.513 4.377 0 1 EIAF CN(CCCCN1C(=O)CCCc2ccccc21)Cc1ccccc1 1772651644 FFATUCXRTMSCFF-UHFFFAOYSA-N 336.479 4.268 0 1 EIAF C[C@H](NCC1CCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356299485 IQCQVPVXFSEGSU-NSHDSACASA-N 332.375 4.020 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@H]2C1(C)C 2356533358 AWZPBJFLHAFGDK-PICPXIATSA-N 346.511 4.489 0 1 EIAF Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1C 263590802 QQOWVOKPCJXEMW-QXCFHYIPSA-N 328.456 4.115 0 3 EIAF CCc1c(C)sc(NC(=O)c2cccc(Cl)c2)c1C(=O)OC 6123309 UNVONJXRZHCXFE-UHFFFAOYSA-N 337.828 4.311 0 1 EIAF CNC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 26397228 OSWMIOSALKVHBT-UHFFFAOYSA-N 337.206 4.488 0 1 EIAF CN(C)C[C@H]1C[C@H]2c3ccc(Cl)cc3Cc3ccccc3N2O1 26567218 RCJWVLIRJLNAIE-APWZRJJASA-N 328.843 4.057 0 1 EIAF O=C(CCc1ccc(-c2ccccn2)cc1)Nc1ccccc1C(=O)O 28863430 KEWCUKDYRDSPHI-UHFFFAOYSA-N 346.386 4.018 0 1 EIAF CCN1CCC[C@@H](OC(=O)C(C)(c2ccccc2)c2ccccc2)C1 43070489 RMHQTPOXRMKHKU-HXUWFJFHSA-N 337.463 4.020 0 1 EIAF c1ccc(Cc2cn(C[C@@H]3Cc4c(ccc5ccccc45)O3)nn2)cc1 45283885 ZTEPFRYEVXGWRK-IBGZPJMESA-N 341.414 4.026 0 1 EIAF NCCCNc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 59721275 KTPFVBNPESLMSE-UHFFFAOYSA-N 337.267 4.033 0 1 EIAF O=C1Nc2ccccc2[C@@]12O[C@@H](COc1ccccc1)CC1=C2CCC1 66104973 FXGPKUFCWFCRPI-VGOFRKELSA-N 347.414 4.182 0 1 EIAF Cn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)cc1 73161293 QMNADCVFUWYABD-UHFFFAOYSA-N 343.386 4.227 0 1 EIAF CCOc1ccc(C(=O)Nc2ccc(CC[C@@H]3CCCN3)cc2)cc1 117721661 CZZGZHJLWIOGGY-SFHVURJKSA-N 338.451 4.022 0 1 EIAF CC(C)=CCc1c(O)ccc(C(=O)c2cc3ccc(O)cc3o2)c1O 140395083 JLVHMFOVWBPERF-UHFFFAOYSA-N 338.359 4.289 0 1 EIAF C[C@H]1CC[C@H](C)N1C[C@@H](O)COC(c1ccccc1)c1ccccc1 169301317 PASGDOWIXPAUQU-BBTUJRGHSA-N 339.479 4.026 0 1 EIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(F)cc(Br)c3[nH]1)C2 586885243 LGXTZUDUCSYEJB-LPEHRKFASA-N 349.203 4.103 0 1 EIAF COc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1C 586903789 NILAHIUKASYWHK-UHFFFAOYSA-N 336.347 4.114 0 1 EIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)cc(F)c2[nH]1 586963897 RSOBEDKOHTXYMZ-GFCCVEGCSA-N 332.404 4.058 0 1 EIAF c1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(OCc2cscn2)c1 587029316 OAJSVGNTXJXHKX-UHFFFAOYSA-N 347.403 4.142 0 1 EIAF FC(F)(F)Oc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587032595 YNXSEPQCDPRGSO-UHFFFAOYSA-N 340.326 4.263 0 1 EIAF Nc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103762 ALUJTLAVCTWVLH-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF CCOC(=O)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587108260 YPAMPUSBPBSWAT-UHFFFAOYSA-N 331.371 4.185 0 1 EIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnccc2[nH]1 587122078 PNOZIVUGLWYNJC-UHFFFAOYSA-N 344.296 4.380 0 1 EIAF Cc1ccc2c(ccc3[nH]c(-c4cccc(OCC(F)F)n4)nc32)n1 587124300 MUWSNMUXHQOTKR-UHFFFAOYSA-N 340.333 4.125 0 1 EIAF Cc1cc(Cl)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587127112 ROMCLEABAPKILF-UHFFFAOYSA-N 332.753 4.465 0 1 EIAF Cc1nccc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc12 587164020 QFKOVQYXZYMRIL-UHFFFAOYSA-N 346.365 4.325 0 1 EIAF CC(C)(C)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2n1 587166702 GTLPVDBDSLXZRY-KHPPLWFESA-N 338.386 4.046 0 1 EIAF COc1nccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195729 JGSLJYANLLXCNF-UHFFFAOYSA-N 344.418 4.173 0 1 EIAF C[C@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 587206814 NNIUVLJBSKBWCE-NEPJUHHUSA-N 343.382 4.197 0 1 EIAF COC(=O)Nc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587243073 DFTORZBODXRQNO-UHFFFAOYSA-N 346.184 4.171 0 1 EIAF CCOc1cc(O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521955 FPAGJVYEGHYNLA-FQEVSTJZSA-N 338.403 4.376 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCC[C@H](C)C1 587623784 PIPWTYMMNIJCGW-VIFPVBQESA-N 347.260 4.351 0 1 EIAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587772370 VGIZNLRDJYEDPB-BTDLBPIBSA-N 349.247 4.224 0 1 EIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCCCC1 587868795 SVQSIOCPFUFEBW-UHFFFAOYSA-N 325.334 4.478 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccnc(Cl)c2[nH]1 587927324 PDOFDFLZLCBDIS-NSHDSACASA-N 331.803 4.170 0 1 EIAF COc1ccc2c(c1OC)[C@@H](c1nccc3ccccc13)N(C)[C@@H](C)C2 962635575 LYIUQUMATDSLNQ-QKKBWIMNSA-N 348.446 4.218 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C1CCCC1)C(F)(F)F 963614158 WNBLKHMHKLNENX-PIGZYNQJSA-N 343.389 4.186 0 1 EIAF CCc1cccc(-c2[nH]c(=N)sc2-c2ccc3ncccc3n2)c1 1857760943 JQVSBTWEPTVRMK-UHFFFAOYSA-N 332.432 4.395 0 1 EIAF CN[C@@H]1C=C[C@H]([C@@]23CC[C@H](C)[C@@]4(CCC(C)=C4C2)C3(C)C)[N@]2C[C@H]12 2356369323 QMXHHGQOIZSXQQ-NPOTWWIBSA-N 326.528 4.140 0 1 EIAF Cc1ccccc1C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1 13684618 ZYMPNERYDYGRNN-GOSISDBHSA-N 330.859 4.071 0 1 EIAF CN(C)Cc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 13727689 AQQOQXWWIMISOA-UHFFFAOYSA-N 331.460 4.099 0 1 EIAF C[C@@H]1CC[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 58614654 YXBCRJFFPSUINZ-DVOMOZLQSA-N 327.877 4.072 0 1 EIAF COC(=O)C/C=C/[C@H](C)[C@H](OC)c1cc(F)ccc1Br 72120047 RPBLHNKNTOKICO-NGJZLQKBSA-N 345.208 4.031 0 1 EIAF CN(C)CC/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc12 102642460 CGCPHTXCNKUKRK-FXBPSFAMSA-N 326.827 4.216 0 1 EIAF CCN(C(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C 146399315 GVWRNIWCVPLFOS-UHFFFAOYSA-N 344.377 4.161 0 1 EIAF COC(=O)/C(=C/c1ccc(Cl)cc1)CSc1nc(C)cc(C)n1 169308064 FWFDNENKTSNRCK-NTEUORMPSA-N 348.855 4.096 0 1 EIAF CCC(=O)N[C@@H]1CCCc2c(-c3ccc(Cl)cc3F)cncc21 220254191 WLCNXFPIAIQOFK-QGZVFWFLSA-N 332.806 4.445 0 1 EIAF Oc1c(-c2ccccc2)cccc1-c1nc2cc3c(cc2[nH]1)OCO3 586896986 OHCICGYPRNWKAK-UHFFFAOYSA-N 330.343 4.331 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 586910654 IYRHLBCOQNEXCY-GZMMTYOYSA-N 327.197 4.137 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@@H](CC(=O)O)CC4)-c1ccccc1C2=O 587100505 AWNKJWPJXIRWJA-GFCCVEGCSA-N 343.382 4.259 0 1 EIAF CC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109410 OTRZHJQHLHMKTH-UHFFFAOYSA-N 348.280 4.150 0 1 EIAF COc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167339 QLGKWWCHOUGYTJ-SREVYHEPSA-N 345.761 4.016 0 1 EIAF CC(=O)N[C@@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(C)cc1 587206809 OKVWRGRHSLSSLO-INIZCTEOSA-N 341.842 4.253 0 1 EIAF COC(=O)Nc1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587244141 XKELCRRSRGKDCR-UHFFFAOYSA-N 332.363 4.265 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](Cl)(C3)C2 587373379 CVOVMILCEMLSPK-YCPBTLNASA-N 331.843 4.099 0 1 EIAF CCCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587439528 BJPGHAJZIOYVFU-UTKZUKDTSA-N 338.403 4.363 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)C1(C)C)[C@@H](C2)C3=O 587447388 RFVPDDVOVOCSNQ-HOIFWPIMSA-N 334.415 4.395 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)cc(F)c31)CC2=O 587469539 AEPBCVPKDCDNGE-FQEVSTJZSA-N 344.357 4.430 0 1 EIAF COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1F 587566034 QGGIEJZPMSPEAN-UHFFFAOYSA-N 344.386 4.324 0 1 EIAF Cc1c(O)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612420 VFNMZRMBEDECBE-RXVVDRJESA-N 348.354 4.109 0 1 EIAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 587636062 PQYZXJSVADYAGR-NSHDSACASA-N 336.407 4.082 0 1 EIAF CSC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587846322 QOWNWYCERPNSCR-LKFCYVNXSA-N 344.293 4.449 0 1 EIAF OCc1ccc(-c2cn3c(-c4cccc(Cl)c4)cnc3cn2)cc1 653672876 QTWZBSNATVBVQM-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF CCC[C@]1(C2CCNCC2)NCCc2cccc(-c3ccccc3)c21 962665693 JGISNYIPSHGKBQ-HSZRJFAPSA-N 334.507 4.494 0 1 EIAF CCc1ccc(N2C(=O)c3cc4cccc(OC)c4cc3C2=O)cc1 1857576612 WTGLMGIGDPHSKR-UHFFFAOYSA-N 331.371 4.211 0 1 EIAF COc1c2c(cc3oc(=O)ccc13)O[C@]1(C)C[C@@H]2O[C@@H](C=C(C)C)C1 2356781590 IXOOJNHNRUDCIB-APXLUKDGSA-N 342.391 4.139 0 1 EIAF COc1cccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)c1 4902586 OJBZQFINAZGQAI-UHFFFAOYSA-N 346.386 4.228 0 3 EIAF CN(C)Cc1ccc(COC(=O)C(c2ccccc2)c2ccccc2)o1 13602050 DGCCMNSIOPUOJG-UHFFFAOYSA-N 349.430 4.217 0 1 EIAF CCCCCCNC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 13650880 COMCECHJTSVFRY-GCPXDWJLSA-N 337.504 4.009 0 1 EIAF CCO[C@@H]1C[C@H](c2ccccc2)Oc2c(C)c(O)c(C=O)c(OC)c21 15217549 HCPPRMOLMNXCDR-HZPDHXFCSA-N 342.391 4.123 0 1 EIAF biogenic COc1cccc2c1CCC[C@@H]2N1CCN(C2CCCCC2)CC1 22931076 ZKMTXBPXPWCYGI-FQEVSTJZSA-N 328.500 4.023 0 1 EIAF O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1c[nH]c2ccccc12 26732760 DEYKZUJGURSBKE-HXUWFJFHSA-N 345.427 4.389 0 1 EIAF N=C(N)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1 29330588 QLKRGEXAQONDBG-UHFFFAOYSA-N 328.375 4.306 0 1 EIAF S=C(Nc1ccc(Cl)cc1Cl)OCCc1ccccn1 40848099 QXHDEXMVVITPCS-UHFFFAOYSA-N 327.236 4.345 0 1 EIAF CCCCN1C(=O)S/C(=C\c2ccc(O)c(C(F)(F)F)c2)C1=O 45339259 DGWWBLXIPYNMRH-WQLSENKSSA-N 345.342 4.247 0 1 EIAF Cc1ccc(Cn2c([C@@H]3CNCCS3)nc3ccccc32)cc1C 73222247 KBGQPWUGZPIFFY-IBGZPJMESA-N 337.492 4.079 0 1 EIAF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1cccc(C)c1 82147021 NCRBHNCRELXUJO-GJZGRUSLSA-N 340.471 4.191 0 1 EIAF CC(=O)Oc1ccc([C@H](OC(C)=O)c2ccc3ccccc3c2)cc1 139317579 DGIDXDGXKAUSCD-NRFANRHFSA-N 334.371 4.418 0 1 EIAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc4ncccc4c3)cc21 205102488 VTXYAEHKCGHRRR-UHFFFAOYSA-N 340.386 4.113 0 1 EIAF COC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2n1 586878805 LKJLWQOCKFTEAQ-UHFFFAOYSA-N 343.386 4.387 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586883726 LBOVBQQEVOPFOC-JVYXKOHPSA-N 344.842 4.471 0 1 EIAF O[C@@H]1C[C@H](c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc21 586905233 ZWQODFFJXRJNFB-GXFFZTMASA-N 347.187 4.034 0 1 EIAF N=c1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c[nH]1 587063415 UXUGVGXNQFGJAB-UHFFFAOYSA-N 334.810 4.282 0 1 EIAF C[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F 587098222 OQYAPKJQSVFFNX-SECBINFHSA-N 334.297 4.432 0 1 EIAF COc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2n1 587163776 STHNYHOYKINGMV-UHFFFAOYSA-N 347.349 4.004 0 1 EIAF O=C(O)CCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207723 WHVGBTZCURRSQU-UHFFFAOYSA-N 331.371 4.244 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC=C(c4ccccc4)CC1)[C@@H](C2)C3=O 587447847 WEZACFKIOLSYDW-AVRDEDQJSA-N 332.399 4.449 0 1 EIAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)Sc4ccccc41)[C@@H](C2)C3=O 587453124 QFRYLZJUKDFEDA-ORBZYBPHSA-N 338.428 4.222 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(OC)c1)CC2=O 587465207 BCCGIELWBQGYJF-SFHVURJKSA-N 330.355 4.199 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]cc1-c1ccccc1)CC2=O 587486793 UGPYHVITZCJCIA-IBGZPJMESA-N 348.402 4.441 0 1 EIAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(Br)cn3)n1)O2 587872536 MKWKNGGEZFBGRC-UHFFFAOYSA-N 332.132 3.942 0 1 EIAF COC(=O)c1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cn1 587950848 GJKGBMLQBCZLPW-LBPRGKRZSA-N 347.374 4.038 0 1 EIAF COc1ccc(/C=C2/C(C)=C(CCc3nn[nH]n3)c3ccccc32)cc1 1857559883 FQDZVORXFPJKFL-MOSHPQCFSA-N 344.418 4.169 0 1 EIAF CCOC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O 5884099 WRDWJAVDHNBIFJ-UHFFFAOYSA-N 332.425 4.020 0 1 EIAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCCc2ccc(C)cc2)C1 13782814 JRXSQQHZULYLDJ-JOCHJYFZSA-N 349.474 4.116 0 1 EIAF CCCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCC)[C@@H]1C 26850219 BJGGUDOLAARRLL-KMJMQOOCSA-N 343.423 4.268 0 1 EIAF Cc1nc2ccc(N3C(=O)CS[C@@H]3c3c[nH]c4ccccc34)cc2[nH]1 28652022 LPWPNHIFDAWDEW-LJQANCHMSA-N 348.431 4.131 0 1 EIAF COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N3CCC[C@H]3C2)cc1 28949729 UAYCRIGNNUIBHW-KRWDZBQOSA-N 349.430 4.009 0 1 EIAF COc1ccc2cc(CCC(=O)Nc3ccccc3C(=O)O)ccc2c1 45498604 GXQUOHSHJSCVKV-UHFFFAOYSA-N 349.386 4.118 0 1 EIAF CCOc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)cc1 64447600 RLOMPHLUJMCYMJ-UHFFFAOYSA-N 347.827 4.476 0 1 EIAF O[C@@](c1ccc(Cl)cc1)(c1cnccn1)c1ccccc1Cl 72184380 LMDIHNHXUPEQHW-QGZVFWFLSA-N 331.202 4.068 0 1 EIAF c1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3n3cccc23)cc1 84635091 ULDSFJCLLURBJV-UHFFFAOYSA-N 326.363 4.016 0 1 EIAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 101184824 BZEWSQBMUDXXBU-SYQHCUMBSA-N 331.765 4.038 0 1 EIAF COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CCc1ccoc1 238752415 ACTLTPVNNKNAFE-DPDLHNOKSA-N 346.467 4.137 0 1 EIAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)/C(=C/c3ccsc3)[C@@H]2CC1 299820781 ISMUWMHEAHACAG-AZRUJATRSA-N 330.449 4.351 0 1 EIAF Cc1c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903029 FUAGHXALTLNQKA-LBPRGKRZSA-N 325.412 4.194 0 1 EIAF COc1cccc(-c2ccc(-c3nc4cnncc4[nH]3)c(Cl)c2)c1 587052332 ONINKYGNDQZIAA-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 587068962 GVEBOULOVTXVLQ-LBPRGKRZSA-N 342.826 4.128 0 1 EIAF Fc1cc(Br)cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587089962 JPRXYZTZBSBZAP-QMMMGPOBSA-N 349.484 4.388 0 1 EIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cn1 587245186 PNTLMLXWFQPTIL-UHFFFAOYSA-N 345.406 4.158 0 1 EIAF CC1(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357534 UWYRITCLSZKOPG-XLIONFOSSA-N 326.367 4.449 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CCC(=O)O)CC2=O 587488501 KIEORQPQRGWRTJ-RBZFPXEDSA-N 346.423 4.104 0 1 EIAF Nc1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511743 RSKNWRBQYHMKOM-JOCHJYFZSA-N 333.431 4.345 0 1 EIAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)s1 587638392 XUJAQACRLNLOLR-UHFFFAOYSA-N 335.331 4.351 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)o2)N1 587708512 YIDORZXUNSYOON-UOWDBTKRSA-N 344.611 4.458 0 1 EIAF CC(C)[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823580 QFPOBWQDBMZQQR-XAGWURHQSA-N 326.253 4.384 0 1 EIAF COc1cccc(-c2cc3c(N=c4cc[nH]cc4C)nccc3[nH]2)c1 618012515 KQDQRTDBWOTEAL-UHFFFAOYSA-N 330.391 4.107 0 1 EIAF COc1cccc(Nc2nnc(Cc3cccnc3)c3ccccc23)c1 6739296 KTNZUKSXJFOXNK-UHFFFAOYSA-N 342.402 4.368 0 3 EIAF C[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1 13832998 HCCVFSPHCNXGBG-HRAATJIYSA-N 327.443 4.374 0 1 EIAF COc1cccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)c1 26570473 IUBJMZDJKIYGNR-WOJBJXKFSA-N 348.446 4.248 0 1 EIAF C[C@H]1CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]3C1 58660613 LTWIOIIEIHAYGU-RGXPITOMSA-N 325.496 4.497 0 1 EIAF C[C@](O)(CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 73294817 GXQNTKSIOGHUIP-KRWDZBQOSA-N 346.839 4.390 0 1 EIAF CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 73312723 NLILSYJGPHCGDH-UHFFFAOYSA-N 336.800 4.018 0 1 EIAF CC(=O)c1cccc(-c2cc(NCc3cc(F)cc(F)c3)ncn2)c1 82161980 NZRACTHZPCGAKB-UHFFFAOYSA-N 339.345 4.237 0 1 EIAF CSc1ccc(-c2cc(NC[C@@H](O)c3ccccc3)ncn2)cc1 103261303 HTHZDVJZKVXHKO-GOSISDBHSA-N 337.448 4.011 0 1 EIAF CCC(=O)C(CC/C=C/CCc1ccc(NC(C)=O)cc1)C(=O)CC 137666159 QIFYSQAJJFUXFG-VOTSOKGWSA-N 343.467 4.488 0 1 EIAF COc1cc2ccc([C@@](O)(c3ccncc3)C(C)C)cc2cc1OC 169338909 WLSFHVCGANYCRC-NRFANRHFSA-N 337.419 4.144 0 1 EIAF COC(=O)/C1=C\C=C(/C(C)C)CC[C@@](C)(O)/C=C\C[C@]2(C)O[C@H]2CC1 238786637 BVJUMQYSTBMEPO-ZKTYMZRFSA-N 348.483 4.097 0 1 EIAF Brc1cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586882783 BWVCGOUITBLSCB-PKAHGGBBSA-N 332.245 4.188 0 1 EIAF Fc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587018119 VYCHHFQVBXTDBJ-UHFFFAOYSA-N 337.379 4.427 0 1 EIAF COc1cc(Cl)ccc1-c1nc2ccnc(Br)c2[nH]1 587067052 ZCXJLYOOCZXRBD-UHFFFAOYSA-N 338.592 4.049 0 1 EIAF COC(=O)c1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587086216 XLCZAWQCVGJJRV-UHFFFAOYSA-N 337.766 4.218 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(=O)C(F)F)CC3 587104515 XYFQWJOQNAIHBE-AWEZNQCLSA-N 349.336 4.310 0 1 EIAF CC(=O)OC1=C(C)c2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587106147 FUTDEZZUCSIFFN-UHFFFAOYSA-N 341.366 4.296 0 1 EIAF C[C@H]1C[C@@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587205640 ARLVIAWSLGASGQ-NWDGAFQWSA-N 343.382 4.197 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc4c(cc31)CCC4)O2 587407270 BQJBNUKLTKMNQW-JOCHJYFZSA-N 349.430 4.099 0 1 EIAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C[C@@H](N)C(=O)O)c2c1 587642048 IZBOIKSLWDDESZ-SCLBCKFNSA-N 336.435 4.303 0 1 EIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587937964 RJKKBMFNTCBJTC-XXFAHNHDSA-N 334.778 4.201 0 1 EIAF C[C@]1(c2ccc3nc[nH]c3c2)NCCc2c(Cl)cc(Cl)cc21 963121495 LPOCNLKPXSEKLY-QGZVFWFLSA-N 332.234 4.279 0 1 EIAF CC(=O)Nc1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1 1857583358 TWNLZZNLIDCCJF-UHFFFAOYSA-N 329.743 4.141 0 1 EIAF CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc(CCN)cc2)c1 1857650344 YPRFWLUYZFCVHE-UHFFFAOYSA-N 346.430 4.031 0 1 EIAF COc1ccc([C@@H]2COc3cc(O)c(CC=C(C)C)cc3C2)c(O)c1 1911578453 CHPXLSCEFRAWLH-INIZCTEOSA-N 340.419 4.334 0 1 EIAF C[C@@H](O)CCCC=CC[C@@H](O)C=CC=CCC=CCCCC(=O)O 2356432089 PEFWBBUDWGQYCT-MOPGFXCFSA-N 336.472 4.158 0 1 EIAF Oc1noc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1 13473980 SUSKGYQAMUMEAE-UHFFFAOYSA-N 348.446 4.222 0 1 EIAF CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(CN(C)C)c3c2C1 13741719 BZORTZGFMNCZKW-SFHVURJKSA-N 327.516 4.209 0 1 EIAF CC(=O)Nc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1 13796382 BDFXNDXONAOLHO-UHFFFAOYSA-N 347.484 4.464 0 1 EIAF CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C/C/C=C/CCCC(=O)O 33822278 RFCYXKNVYQOCTM-WLSNKWIPSA-N 336.472 4.158 0 1 EIAF Cc1cc(Cl)ccc1C(=O)Nc1ccc2sc(CO)nc2c1 35824720 XSOSEDMJHAZSKC-UHFFFAOYSA-N 332.812 4.003 0 1 EIAF CCC(CC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C 45301169 ILOGEMOPSUZYRN-UHFFFAOYSA-N 339.443 4.041 0 1 EIAF CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Oc1ccncc1 90427276 UMBMZEJSSDGNOU-LJQANCHMSA-N 343.423 4.275 0 1 EIAF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2oc(=S)[nH]c2c1 96934829 DGRYYSLCJHQTBD-INIZCTEOSA-N 337.404 4.188 0 1 EIAF CSc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1 117726493 VUNLNBJIFKDPDT-MRXNPFEDSA-N 326.465 4.128 0 1 EIAF CCCCC[C@H](O)/C=C/C=C/C/C=C\C=C\[C@H](O)CCCC(=O)O 169331796 UXGXCGPWGSUMNI-XSGDJZKZSA-N 336.472 4.158 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027411 DUBBLABCWKMQHO-MRXNPFEDSA-N 335.392 4.077 0 1 EIAF C[C@H]1CCc2sc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)cc2C1 587033863 OAWXOVLCYODLAP-NSHDSACASA-N 339.464 4.118 0 1 EIAF Cc1cc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2c(C)n1 587049704 UMIMLGRMUPKUNB-UHFFFAOYSA-N 342.830 4.490 0 1 EIAF Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1C 587120124 SJAMMLXBHRAQJG-UHFFFAOYSA-N 348.372 4.322 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccc(Cl)c3n1)O2 587378129 ADPTVXPIOTUFFG-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc(C)cc14)[C@@H](C2)C3=O 587437999 KHIQHCNPSXPTOA-YCRPNKLZSA-N 333.387 4.282 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)ccc1F)CC2=O 587468509 VRPODESUPNCOEW-CQSZACIVSA-N 335.762 4.239 0 1 EIAF C[C@@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587498718 JWWCCYGOFIKWDL-AWEZNQCLSA-N 334.284 4.487 0 1 EIAF O=C1C[C@H](c2nc(Cl)cnc2Cl)Oc2c1ccc1c2CCCC1 587502291 UVNBFASBGYICJL-CYBMUJFWSA-N 349.217 4.369 0 1 EIAF O=C1C[C@@](Cc2ccccn2)(C2CC2)Oc2c1ccc1c2CCCC1 587515737 QFRPTILXSKULDW-QFIPXVFZSA-N 333.431 4.317 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Cl)cc4[nH]1)(C3)C2 587949247 CNIWFHCWJZUAFF-NFAYLAGKSA-N 344.842 4.370 0 1 EIAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C1 587970099 YNMFEIHAQQMFKH-IAGOWNOFSA-N 341.499 4.325 0 1 EIAF CSc1nn2cc(-c3nc4c(Cl)cccc4s3)nc2s1 653680461 MWHLXBPCUKKGHZ-UHFFFAOYSA-N 338.870 4.443 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(C)n(C(C)C)c1C 963065007 IAFJOFKUFVVGAW-QFIPXVFZSA-N 349.478 4.478 0 1 EIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc2c(c1)OCCCO2 963097699 GEWKYSHLTWOOOV-LAUBAEHRSA-N 339.410 4.097 0 1 EIAF COc1cc(Br)cc(/C=C/c2ccc3c(c2)OCO3)c1O 1772592961 NQMODRVWSNXWRS-DUXPYHPUSA-N 349.180 4.062 0 1 EIAF CCO[C@@]1(c2ccccc2)c2cc(Cl)ccc2NC(=S)N1C 1857577967 KKRIIQWMMUVKTF-KRWDZBQOSA-N 332.856 4.220 0 1 EIAF O=c1cc(CCCCCCc2ccccc2)oc2c1CCC[C@H]2O 14723948 XHSZGHYQJFZVDN-LJQANCHMSA-N 326.436 4.355 0 1 EIAF biogenic COc1cc(Sc2c[nH]c3ccc(F)cc23)cc(OC)c1OC 28651313 FNGAQOYEEQECOA-UHFFFAOYSA-N 333.384 4.484 0 1 EIAF COc1ccc2c(c1)S[C@H](C(=O)O)CC(c1ccc(F)cc1C)=N2 28976811 QFJZFLKRPWVTSW-KRWDZBQOSA-N 345.395 4.213 0 1 EIAF C[C@@H](Oc1ccnc2ccccc12)C(=O)Nc1ccc(Cl)cc1 43013616 QUECNCPJQOJAIV-GFCCVEGCSA-N 326.783 4.294 0 1 EIAF O=C(N[C@H](C/C=C/c1ccccc1)C(=O)O)c1ccc2ccccc2c1 44717227 OOTIJYFZZMIZHN-AQDCRGGLSA-N 345.398 4.126 0 1 EIAF in-vivo Cc1ccc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)c1 49035557 DSGINTOJLRRGSN-UHFFFAOYSA-N 342.870 4.045 0 1 EIAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(CO)[C@H]3CC[C@@]21C 58668448 SHRUZOYPFWLBFR-LEZSPFLNSA-N 332.484 4.243 0 1 EIAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5[nH]ncc5C[C@@]4(C)[C@@H]3CC[C@]21C 100299215 LKAJKIOFIWVMDJ-TZOOJHKXSA-N 328.500 4.118 0 1 EIAF world Nc1ncccc1-c1cc(Cc2ccc(Oc3ccccn3)cc2)no1 113993207 HFRKWLXMUYBVFX-UHFFFAOYSA-N 344.374 4.097 0 1 EIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCN(C)C3)cc12 226089397 RQFYBKRUTOMNAE-ZDUSSCGKSA-N 339.414 4.187 0 1 EIAF CCCCCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1 299825109 WJKORANTRPPZOE-UHFFFAOYSA-N 332.835 4.375 0 1 EIAF Cc1cncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012834 KVGRZEPCFMRVIA-UHFFFAOYSA-N 335.230 4.030 0 1 EIAF Cc1c(CC(=O)C2CC2)nc2cccc3c2c1-c1ccccc1C3=O 587207866 NZJOALGEFXQHGE-UHFFFAOYSA-N 327.383 4.276 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1[nH]c4c(C)cccc4c1C)[C@@H](C2)C3=O 587440049 YXSCZVIMVAEKGR-BTYIYWSLSA-N 333.387 4.282 0 1 EIAF Cc1ccc([C@@]2([C@@H](C)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529091 ITKHHGAGRFCGHZ-QRQCRPRQSA-N 336.431 4.115 0 1 EIAF CCOCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534070 ARIJOMBJVVEVAY-INIZCTEOSA-N 343.448 4.265 0 1 EIAF CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587772982 PVTADZMXZPLIGK-QGHHPUGFSA-N 349.247 4.169 0 1 EIAF C[C@@H](O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653706361 ZZGJPNKWPLRCPK-CQSZACIVSA-N 342.402 4.489 0 1 EIAF OCc1cccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1 1857595608 OHLZQWMTGJMXNV-UHFFFAOYSA-N 335.794 4.209 0 1 EIAF COC[C@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@@H](C=Cc1ccccc1)C2 1857622989 ODBOCRLDKFDGTG-WSWWRLHASA-N 336.431 4.046 0 1 EIAF CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356738554 LDIFWCUQQYZOLG-BSSUKLAPSA-N 346.511 4.020 0 1 EIAF CC[C@@H](OC(C)=O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1 5924342 FYQILXMAOLDNOY-OXQOHEQNSA-N 325.452 4.052 0 1 EIAF world FC(F)(F)c1cccc(-c2nc(S)n(Cc3ccccc3)n2)c1 13536827 HTJZOAOWWAOWFP-UHFFFAOYSA-N 335.354 4.301 0 1 EIAF COc1ccc([C@H](c2cc3ccc(OC)cc3o2)n2ccnc2)cc1 13680616 PKSNASDRHDFKQO-HXUWFJFHSA-N 334.375 4.284 0 1 EIAF COC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1 27080828 AUZNZZCZIZTELU-UHFFFAOYSA-N 333.796 4.439 0 1 EIAF O=C(c1cccc(NC(=O)C2CCCC2)c1)c1nc2ccccc2o1 28710808 YDLQLZJZXVHRIR-UHFFFAOYSA-N 334.375 4.188 0 1 EIAF O=C(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1 95580983 VXRWYLMRBQPAHF-UHFFFAOYSA-N 339.341 4.376 0 1 EIAF Cc1nc(Nc2ccc(C(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 143453203 CDUWCDYMMNSSRC-UHFFFAOYSA-N 346.799 4.004 0 1 EIAF Brc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2n1 586902672 BMLKVLNFHXYIEK-UHFFFAOYSA-N 342.196 4.252 0 1 EIAF O[C@H]1C[C@H](c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc21 586903247 OQXYNCKUVUWXDC-BONVTDFDSA-N 347.187 4.034 0 1 EIAF O[C@@H]1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2ccccc21 586904261 SENXOJYICVYDCN-ZUZCIYMTSA-N 336.288 4.290 0 1 EIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(F)c(F)c2[nH]1 587027059 NYBLAOPVORBRAL-UHFFFAOYSA-N 331.347 4.457 0 1 EIAF Cc1ccc2nc(C(F)(Br)Br)[nH]c2c1C 587087922 YUTCZDPRAIWRIT-UHFFFAOYSA-N 336.002 4.049 0 1 EIAF Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166134 NHJFTPCVXNBFCV-UHFFFAOYSA-N 349.365 4.381 0 1 EIAF O=C1c2ccc(O)cc2O[C@@]2(Cc3ccccc32)[C@H]1c1ccc(F)cc1 587350695 HZCCWQHNACWVEJ-RBBKRZOGSA-N 346.357 4.342 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](C)C(=O)OCC)CC2=O 587485303 VELFVUBYJMOUCD-ZUOKHONESA-N 348.439 4.048 0 1 EIAF C[C@]1(C[C@@H]2CCCCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587523471 JDKRKPPISKJUGA-BTYIYWSLSA-N 326.436 4.439 0 1 EIAF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cc(C(F)(F)F)ccc1=O 587629924 NWDDECLVBHMEGE-UHFFFAOYSA-N 344.695 4.439 0 1 EIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 587784766 JADJJMOKDRVQIA-HUUCEWRRSA-N 338.432 4.228 0 1 EIAF COCCC[C@@]1(c2ccc(F)cc2)NCCc2ccc(F)c(C)c21 962150235 YJNUYVWJXQXRJQ-FQEVSTJZSA-N 331.406 4.089 0 1 EIAF CCc1c(-c2ccc3cn(C)nc3c2)cnc(N)c1-c1ccc(O)cc1 1772652396 NDTDLTOCWHTJKO-UHFFFAOYSA-N 344.418 4.153 0 1 EIAF C[C@H]1N=C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](NC=O)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356779292 QKXFAIFVGUITJR-KSOKIZOSSA-N 340.511 4.133 0 1 EIAF C[C@@]12Cc3c[nH]nc3C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 17302151 OIIHTRLQCQVVQC-AGMFQBESSA-N 326.484 4.343 0 1 EIAF O=C(O)c1cccc2c1Cc1c-2[nH]c2ccc(Br)cc12 26181418 KJVILSZYNAFENR-UHFFFAOYSA-N 328.165 4.200 0 1 EIAF O=c1[nH]cccc1[C@@](/C=C/C1CC1)(OCc1ccccc1)C(F)(F)F 26838238 MCBDKUVEATYQOO-DOJUMQAQSA-N 349.352 4.316 0 1 EIAF COC(=O)c1c[nH]c(=S)n1[C@@H](C)c1ccc(Cl)c(Cl)c1 28351040 XNHZFXUJCAGJII-ZETCQYMHSA-N 331.224 4.248 0 1 EIAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3)ccc2n1 38149795 PWQSXBRFDPQGOC-FMIVXFBMSA-N 331.419 4.421 0 1 EIAF in-vivo Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H](N)c3ccccc3)cc12 49036134 TYMAAYVGPSQCHD-SFHVURJKSA-N 346.459 4.297 0 1 EIAF CC(C)CCn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21 64475198 ODWVHXIVPROZCG-UHFFFAOYSA-N 331.423 4.275 0 1 EIAF O=C(NC1CCCCC1)Oc1ccc(CO)c(-c2ccccc2)c1 96167340 QECZDSOIIYBWIX-UHFFFAOYSA-N 325.408 4.267 0 1 EIAF COc1ccc(-c2n/c(=N\c3ccc(Cl)cc3)sn2C)cc1 103181261 FGRKYYCXORUVAC-FBMGVBCBSA-N 331.828 4.043 0 1 EIAF O=C(NCc1cccc2[nH]ccc12)Nc1nc(-c2ccncc2)cs1 166907629 ZSDNTKDDFYFABB-UHFFFAOYSA-N 349.419 4.008 0 1 EIAF Oc1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(O)c1 167388697 XUCCYQOJRXEQCN-UHFFFAOYSA-N 342.358 4.184 0 1 EIAF CN1CC[C@]2(N(C)C)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 253673141 DLLCKSSZJVZCNE-ZCQNZVIGSA-N 334.507 4.352 0 1 EIAF Cc1nc(Br)sc1-c1nc2cnc3ccccc3c2[nH]1 587011811 ROOSGQWMNUPVQE-UHFFFAOYSA-N 345.225 4.306 0 1 EIAF COC(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085223 NJEDDHXHQOGFJB-UHFFFAOYSA-N 337.766 4.218 0 1 EIAF O=C(O)c1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1F 587085334 TWPAHUKDEVCECR-UHFFFAOYSA-N 341.729 4.269 0 1 EIAF Cc1c(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c2c1C 587085811 IZHJLIZMAYHBIF-UHFFFAOYSA-N 337.608 4.053 0 1 EIAF COc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cn1 587158999 URMZLRZCZXWKIJ-UHFFFAOYSA-N 347.349 4.252 0 1 EIAF c1ccc(-c2nc3cccc4c3c(c2CC2OCCCO2)CC4)cc1 587216159 UGUQFQHUWYQPOV-UHFFFAOYSA-N 331.415 4.306 0 1 EIAF Cc1cc(C)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587233356 MTSFKQMFMDKWAW-UONOGXRCSA-N 329.444 4.341 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccn4)c1)[C@@H](C2)C3=O 587435730 IZMNNFLNZRYSTA-HTAPYJJXSA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1N(CC)CC)CC2=O 587469078 HQYNFZSFSNOPKU-CTNGQTDRSA-N 345.483 4.333 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)C12CCC2 587489130 MQKMDLQOTRCDFQ-FXAWDEMLSA-N 330.424 4.028 0 1 EIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1 587507107 ANEHBSZPWKEGMM-NRFANRHFSA-N 337.419 4.037 0 1 EIAF FC(F)(F)Oc1cccc2nc(CCOCc3ccccc3)[nH]c12 587566007 PIOQQSRAQLMPTK-UHFFFAOYSA-N 336.313 4.221 0 1 EIAF Cc1nn(C)cc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)F 587624830 UVSSSLSOVFHDIU-UHFFFAOYSA-N 337.757 4.286 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(F)(F)F)N1 587709195 JFKQBNGZIVKTTM-IMTBSYHQSA-N 326.131 4.116 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2)N1 587854630 RGEMNVTURWYWIH-XLKFXECMSA-N 326.234 4.273 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(C)=O)cc2[nH]1 587927314 ORXGOGKZPSGLHI-HNNXBMFYSA-N 338.407 4.325 0 1 EIAF Nc1ccnc2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 587957849 XDERBSIEJJVEBX-UHFFFAOYSA-N 346.475 4.458 0 1 EIAF Cc1nc2ccc(Cl)cn2c1[C@]1(C)NCCc2cc(Cl)ccc21 963390172 GHHGGHQDVKHCBD-GOSISDBHSA-N 346.261 4.359 0 1 EIAF CCN1N=C(c2ccc(/C=C/c3cccc(Cl)c3)cc2)OCC1=O 1772657728 DKRGYADAOYMKDJ-VOTSOKGWSA-N 340.810 4.051 0 1 EIAF C[C@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CN(C)C2=O 2356807304 WFNNOZZRFPORKZ-YEJXKQKISA-N 343.467 4.318 0 1 EIAF COc1ccccc1-c1csc([C@H](O)c2ccc(F)c(F)c2)n1 61929998 RPGISJQUVMRCNW-MRXNPFEDSA-N 333.359 4.179 0 3 EIAF O=C1CCC[C@@H]2C=C[C@H](c3ccc(Br)cc3)[C@H]3CCN1[C@H]23 95570188 YLVMMDYEKRKXPS-GFOCRRMGSA-N 346.268 4.120 0 3 EIAF C(=C/c1ccccc1OCCCCN1CCOCC1)\c1ccccc1 27723648 PKINFGNNALJOJB-OUKQBFOZSA-N 337.463 4.348 0 1 EIAF Clc1cccc(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)c1 28371031 FBYDXVCYZBKMBT-UHFFFAOYSA-N 333.782 4.045 0 1 EIAF Cc1nc(-c2sc(NC(=O)CC(C)C)nc2-c2ccccc2)no1 35845920 HUQKHKNVVBHZSD-UHFFFAOYSA-N 342.424 4.153 0 1 EIAF c1cc(Nc2ccc3c(c2)OCO3)nc(Nc2ccc3c(c2)CCC3)n1 38792059 NDVVAGOIKGKXGG-UHFFFAOYSA-N 346.390 4.181 0 1 EIAF O=C(Cc1ccccc1Cl)c1ccccc1C(=O)N1CCCCC1 40564895 UNLNNDFOUQZCPE-UHFFFAOYSA-N 341.838 4.392 0 1 EIAF O=C(O)c1c[nH]c2ccc(Cc3cc(Cl)ccc3Cl)cc2c1=O 43018916 MYNDSKARKCPSRA-UHFFFAOYSA-N 348.185 4.124 0 1 EIAF CCOC(=O)c1cc2c3ccccc3n(-c3ccc(F)cc3)c2cn1 49853435 FPXROIJNYGGNAG-UHFFFAOYSA-N 334.350 4.495 0 1 EIAF O=C1Nc2ccccc2/C1=C\c1nc(-c2ccccc2)n2ccccc12 72107258 JUGWZXOJPWPORQ-SAPNQHFASA-N 337.382 4.494 0 1 EIAF CC(=O)N[C@H](CC(=O)c1cc(C)sc1C)c1ccc(Cl)cc1 72113774 SOXUEFHAIPKBQP-MRXNPFEDSA-N 335.856 4.469 0 1 EIAF CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@@H]21 144440826 OWIWVULUMNNUKT-VQTJNVASSA-N 345.446 4.055 0 1 EIAF CC1=CC[C@@]23C[C@@H]1[C@](C)(CCC[C@@H](C)C(=O)O)[C@@H]2CC[C@@H]3C(=O)O 238773005 ORQNTXRUGFBPJG-JGCABRRYSA-N 334.456 4.351 0 1 EIAF CN1CCc2cc(-c3ccc(O)cc3)c(O)cc2[C@@H](c2ccccc2)C1 299830335 MQNXSZOCUGNTGM-JOCHJYFZSA-N 345.442 4.385 0 1 EIAF Cc1nc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1Br 586884517 QJGZRXDQMSUVTD-UWCDFFNFSA-N 346.272 4.497 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C)c(C)cc2[nH]1 586962865 ILWODEHVGJHKND-AWEZNQCLSA-N 328.441 4.227 0 1 EIAF Cc1c(Cl)ccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587154630 CMTCONWGEYSJPN-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Cc1ccnc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587224819 HOSUYQNVPRTJOV-AWEZNQCLSA-N 330.432 4.022 0 1 EIAF Cc1c[nH]c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587525593 OAUFBRAGZXFXPF-LJQANCHMSA-N 332.403 4.457 0 1 EIAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-n2cncn2)c(F)c1 587629336 KXUDWMFJTJXDAY-UHFFFAOYSA-N 348.715 4.486 0 1 EIAF COc1cccc(C)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587787481 UIURVLMYKCEAKQ-UHFFFAOYSA-N 344.418 4.378 0 1 EIAF CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21 653812621 HHYWILXYLDXMPP-UHFFFAOYSA-N 347.422 4.151 0 1 EIAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)c1cccc(F)c1 653840643 WSOIYQQSGHVXNL-UHFFFAOYSA-N 344.386 4.061 0 1 EIAF C[C@@H](C(=O)O)n1cccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962668648 XBIJDUCHNAJABS-BTYIYWSLSA-N 346.430 4.036 0 1 EIAF CC[C@]1(c2ccc(O)c(OC)c2)c2ccc(F)cc2C[C@H]2CCCN21 963097583 FXLKVIIRICAZED-UTKZUKDTSA-N 341.426 4.214 0 1 EIAF CCCCCOc1ccc([C@@]2(C)NCCc3ccc(O)cc32)cc1 963342757 SUHVZTAFHQBDDM-OAQYLSRUSA-N 325.452 4.370 0 1 EIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C)c(F)c(C)c1 963613220 UPWBUIKVQGMXKE-XCLFUZPHSA-N 329.415 4.083 0 1 EIAF CCCCCOc1cccc(CNc2ccc(F)c(C(N)=O)c2F)c1 1857540145 ZFSRQROSFIENFL-UHFFFAOYSA-N 348.393 4.245 0 1 EIAF CCCCCn1c(=O)sc2cc(C(=O)c3ccccc3)ccc21 1857576120 ZZIVARMZGPEYMI-UHFFFAOYSA-N 325.433 4.484 0 1 EIAF O=[S@@](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 1857586681 AXENRPOALXGSFW-VGSWGCGISA-N 331.437 4.321 0 1 EIAF COc1cccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1 13684402 METZMOSXHVEBIA-UHFFFAOYSA-N 328.375 4.209 0 1 EIAF COc1cc(N)c(Cl)cc1SCCCCN1CCCCC1 26501681 CWHABQDLAJOROE-UHFFFAOYSA-N 328.909 4.289 0 1 EIAF COc1ccc(Nc2c(C(=O)O)sc3ccccc23)c(OC)c1 28571753 IWBWEHVQZUCRHG-UHFFFAOYSA-N 329.377 4.360 0 1 EIAF C[C@H]1CN=C(CCCCCCCCCCCCC2=NC[C@H](C)N2)N1 28865492 YMRLKVYNDHCAFF-ROUUACIJSA-N 334.552 4.448 0 1 EIAF Cc1ccc(CN2CCc3nc(N4CCCCC4)sc3C2)s1 45323272 JJPYEVOYDRAMEN-UHFFFAOYSA-N 333.526 4.062 0 1 EIAF CCCN1CCN(CCC)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 58500152 RFFFXCJAXQLALO-CTNGQTDRSA-N 325.500 4.201 0 1 EIAF O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2Cl)S1 96282279 LRUBWDZMLPTIIZ-NVNXTCNLSA-N 345.807 4.243 0 1 EIAF Cc1ccc(Nc2nc(C(=O)N3CCC[C@H](C)[C@@H]3C)cs2)cc1 96283040 YKFSMOUFOXUQLG-KBPBESRZSA-N 329.469 4.456 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100824311 QSXNOUPYXMWUKT-ODVVSNQMSA-N 332.440 4.108 0 1 EIAF endogenous,in-man O=C1NC(=O)/C(=C/c2ccc(OC3CCCCC3)cc2Cl)S1 115795520 CKTQOQTWWQRQIT-ZSOIEALJSA-N 337.828 4.375 0 1 EIAF COc1ccc(Br)c2c1CC[C@@H]1[C@H](c3ccncc3)[C@@H]21 169315804 SLXPOBZDYHEQIS-PVUWLOKVSA-N 330.225 4.296 0 1 EIAF Brc1ccnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586887455 UJGHZTDRBSETSB-SJCJKPOMSA-N 340.224 4.092 0 1 EIAF Fc1cc2[nH]c(CSCc3ccsc3)nc2cc1-n1cccn1 587027558 RYWOZRZEGDGPRG-UHFFFAOYSA-N 344.440 4.383 0 1 EIAF Fc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587030000 XVQHFDASVVVQJZ-UHFFFAOYSA-N 325.368 4.405 0 1 EIAF COc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(Cl)n1 587083609 BVSAFHABKKUEIV-UHFFFAOYSA-N 327.693 4.306 0 1 EIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(Cl)nc2[nH]1 587115817 BIGWUUGJWKKUNZ-UHFFFAOYSA-N 349.703 4.240 0 1 EIAF O=C(c1nc2ncc(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133661 YILIDXMWDOKIJR-UHFFFAOYSA-N 344.560 4.288 0 1 EIAF Cc1cc(Br)c2[nH]c(-c3cc(F)cc(F)c3O)nc2c1 587134616 RFKZWGRRICJPNX-UHFFFAOYSA-N 339.139 4.285 0 1 EIAF Cc1ccc2c(ccc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c32)n1 587177223 CZPGXNWQAQWFBK-UHFFFAOYSA-N 347.397 4.221 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)C(F)(F)F)cc1)O2 587381122 GGFYVYWXZZTHIT-OAHLLOKOSA-N 349.308 4.029 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3ncccc3C)C1)O2 587394266 SFXXQAZGSCYJBO-YCRPNKLZSA-N 336.435 4.342 0 1 EIAF CC[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420771 JACALUGSJCMEGT-DNVCBOLYSA-N 328.795 4.402 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(F)c1Cl)[C@@H](C2)C3=O 587424560 PEXYNUYBHRBBJT-SGTLLEGYSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(C)cccc31)CC2=O 587493609 UOAWQKLTJYBGFD-OAQYLSRUSA-N 338.403 4.296 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCC(F)(F)F 587548606 ODTWXAOGRDDKHU-JSGCOSHPSA-N 338.281 4.065 0 1 EIAF CCC(C)(C)c1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)cc1 587564978 RRJLHSVWYIVVCR-UHFFFAOYSA-N 330.819 4.225 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2Cl)N1 587697162 MRLVJJYXDJMOND-WJWGPLDTSA-N 343.627 4.193 0 1 EIAF Cc1c(Br)cnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587959532 GJHYHKFZECCCBQ-STQMWFEESA-N 342.240 4.375 0 1 EIAF COc1ccc2c(c1)CC[C@H]1[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]21 1857534969 RFDPIGBWRMXSSP-VDGAXYAQSA-N 340.419 4.164 0 1 EIAF COc1ccc(-c2cnc(-c3cncn3Cc3ccccc3)n2C)cc1 1857567384 KXKIRSDDMIUUGA-UHFFFAOYSA-N 344.418 4.008 0 1 EIAF COc1cc(CCc2ccc3ccccc3c2)c(C(=O)O)c(OC)c1 1857614905 QJWSTSXRELWVSI-UHFFFAOYSA-N 336.387 4.340 0 1 EIAF COc1c(C(=O)Cc2ccc(F)cc2)ccc2c1C=CC(C)(C)O2 1857761593 YARSCHSNYSQZSB-UHFFFAOYSA-N 326.367 4.444 0 1 EIAF CC=C(C)[C@@H]1C(C)=C[C@@H]2[C@H](O)CC[C@H](C)[C@@H]2[C@H]1C=CC=CC(=O)O 2356759125 KNDPLJZJPQWOMQ-VTWDCMCISA-N 330.468 4.365 0 1 EIAF CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCC[C@H](C)C1 4562974 FDTKVDVIFLOTKD-AWEZNQCLSA-N 342.439 4.047 0 1 EIAF Cc1ccccc1C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684622 ZYMPNERYDYGRNN-SFHVURJKSA-N 330.859 4.071 0 1 EIAF CCOc1ccccc1CNc1cc(Oc2ccc(F)cc2)ncn1 82068375 MNCIUPHOKSMUMF-UHFFFAOYSA-N 339.370 4.419 0 1 EIAF CC(C)C[C@@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O 100603422 NHOFDKHAIJCGHF-LBPRGKRZSA-N 345.386 4.253 0 1 EIAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2cccc(C)c2)N3C)cc1 100728257 YWDPQXQHYYMNDR-WSWWRLHASA-N 349.474 4.475 0 1 EIAF C1=C[C@H]2O[C@H]1C1=C2c2ccccc2C(=C2CCNCC2)c2ccccc21 169321192 RQUVPRCQJIJQJM-NHCUHLMSSA-N 339.438 4.433 0 1 EIAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1=O 169720233 LMJBWKNSUUFNQH-JEOXALJRSA-N 346.398 4.412 0 1 EIAF C[C@H]1CCC2=C(CCC[C@]2(C)C(=O)O)[C@]1(C)CCC1=CC(=O)OC1 238783478 BECCHEIVZOVMDH-SVIJTADQSA-N 332.440 4.257 0 1 EIAF CCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@H]1c1ccccc1 299848664 HQNABVZJQKSLJX-YAQOUWLDSA-N 331.463 4.064 0 1 EIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 586882362 OYQUBBQLLJYYGL-UHFFFAOYSA-N 344.773 4.284 0 1 EIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586887172 ICJXWEDXUJNXAA-HWPZZCPQSA-N 346.333 4.030 0 1 EIAF Cc1cc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c(C)n1 586900109 CYVKEORFDDVCKX-UHFFFAOYSA-N 347.374 4.226 0 1 EIAF CCOCc1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)o1 586902245 CULQTHZIVIIQEU-UHFFFAOYSA-N 335.201 4.430 0 1 EIAF Brc1cncc2nc(CCc3cc4ccccc4o3)[nH]c12 586904530 WFLBFERKRJEEMP-UHFFFAOYSA-N 342.196 4.252 0 1 EIAF Cc1c([C@H](C)CN(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988813 RNRIFABDZSKJFE-GFCCVEGCSA-N 346.430 4.125 0 1 EIAF Cc1nn(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2)c(C)c1Cl 587065740 WWBPBHWPPINJFQ-UHFFFAOYSA-N 338.798 4.391 0 1 EIAF N=C(N)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587144566 AMBDOFGWIBBNEX-UHFFFAOYSA-N 348.356 4.459 0 1 EIAF O=C(/C=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1ccccc1 587243593 HASFIPUIKWLULH-SREVYHEPSA-N 349.287 4.373 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)cc1Cl)O2 587373319 CPTDPGMXBPZRIW-QGZVFWFLSA-N 330.815 4.003 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(F)cn1)CC2=O 587472600 RUKSEQKHVYHHHM-LJQANCHMSA-N 329.371 4.150 0 1 EIAF O=Cc1ccc(OCCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587566341 HXMZHKBJURJDKB-UHFFFAOYSA-N 334.297 4.016 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)n1 587771448 LRMANUDOJUGTTR-GTNSWQLSSA-N 349.247 4.224 0 1 EIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775079 YSWAGONNJKTPHH-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF O=C(CCc1ccccc1)c1nc2c(Br)cc(F)cc2[nH]1 587953723 RLNODFWFZRHIQY-UHFFFAOYSA-N 347.187 4.280 0 1 EIAF COc1ccccc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 1857752852 SFFKUECRLQXXTN-UHFFFAOYSA-N 343.386 4.004 0 1 EIAF Cc1ncoc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(C)(C)C 12574061 JAYZJQDTUHXAMC-SFHVURJKSA-N 337.423 4.250 0 3 EIAF Cc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1 36387374 LMAKKGJNRHGVFL-UHFFFAOYSA-N 329.325 4.215 0 3 EIAF O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)C1CCCCC1 1370434 ITDAPAORJMRWIW-NHCUHLMSSA-N 340.511 4.269 0 1 EIAF C[C@H]1[C@@H]2NC(=O)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 4148173 LKJVKHWUCSHASQ-PBQZTSCYSA-N 328.799 4.356 0 1 EIAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H]1CCOC1=O 13403268 KLTOIXCFCZRIFD-KIJMYCCXSA-N 334.456 4.193 0 1 EIAF biogenic CCCCSc1nc([C@H](C)c2c(F)cccc2F)c(C)c(=O)[nH]1 13474571 DIMOXRYNIBRPQU-SNVBAGLBSA-N 338.423 4.401 0 1 EIAF COc1c(C(C)C)cc2c(c1O)C=C1C=C[C@H](O)C(C)(C)C1=CC2 14721143 OIJGSCCWBLTLDK-SFHVURJKSA-N 326.436 4.347 0 1 EIAF biogenic Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)n1 15163063 FZBFKPLJBKXMHI-KCXAZCMYSA-N 336.501 4.190 0 1 EIAF O=P(O)(O)C(F)(F)c1cccc(/C=C\c2ccc(F)cc2)c1 27103463 VMWBSUJWBINGRH-PLNGDYQASA-N 328.226 4.223 0 1 EIAF CC(C)(Sc1nc2cc(Br)ccc2s1)C(=O)O 45319006 KNNRSTWUVXDTJK-UHFFFAOYSA-N 332.244 4.014 0 1 EIAF Clc1cc(Cl)cc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1 66080318 YPLADSZZPCZLET-UHFFFAOYSA-N 344.205 4.177 0 1 EIAF FC(F)(F)Oc1cccc(Nc2cc3c(cn2)ncn3CC2CC2)c1 74388635 SKLFGMALGXTMJI-UHFFFAOYSA-N 348.328 4.484 0 1 EIAF Clc1ccccc1[C@H]1OCCc2c1noc2CO[C@H]1CCCCO1 103179961 PGOTUIRGMIUINB-FUHWJXTLSA-N 349.814 4.033 0 1 EIAF CCN(CC)CCOc1cccc2c(NC(=O)C(C)C)cccc12 103214769 BOYLIYHQFRYURN-UHFFFAOYSA-N 328.456 4.155 0 1 EIAF CC(C)CCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 195268268 DXPXPTSTQIBWMJ-DVIXLVCNSA-N 336.472 4.270 0 1 EIAF CCn1cc(-c2cc3c(-c4cc(C(C)C)ccn4)n[nH]c3cn2)cn1 205241512 WYEASFIZHJWOEG-UHFFFAOYSA-N 332.411 4.027 0 1 EIAF COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)(C)O)CC1 238770094 TWKHWRBBRVHNDN-IZODYGDRSA-N 348.483 4.241 0 1 EIAF CCCC[C@@H]1[C@@H](OC(=O)OC)CCC[C@]12CCCCN2C(=O)OC 253918675 YSENRDPXKUGFHX-RVKKMQEKSA-N 341.448 4.119 0 1 EIAF O=C(c1ccccc1)c1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 473149684 KBQSEHRQVWGAKF-UHFFFAOYSA-N 342.354 4.340 0 1 EIAF CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cccc21 586912006 NYNZMZWALHIJQH-UHFFFAOYSA-N 344.317 4.221 0 1 EIAF O[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCOCC1 586915556 FVIBGULBFAVNOQ-SFHVURJKSA-N 340.448 4.174 0 1 EIAF N=c1[nH]c(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cs1 587021899 RCSNOBFGDJKRFC-UHFFFAOYSA-N 343.415 4.314 0 1 EIAF COc1cc(-c2nc3cnc4ccccc4c3[nH]2)cc(Cl)c1O 587046635 ZAGJPYIMQMWMQG-UHFFFAOYSA-N 325.755 4.146 0 1 EIAF FC(F)C(F)(F)c1nc2cc(Br)cc(Cl)c2[nH]1 587089251 NHGPLOKXAIGMSB-UHFFFAOYSA-N 331.494 4.336 0 1 EIAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(OC)nc4[nH]3)c2)c1 587160110 HKBAWKRAVAFJHL-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)cc3[nH]1)O2 587173323 BNVPMRPPRKBYJU-AWEZNQCLSA-N 333.160 4.141 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(Cl)cccc31)O2 587380212 QSKYKMURWQDLHR-LJQANCHMSA-N 343.810 4.264 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc(Cl)c1)CC2=O 587463668 WREOQMGFNWSADH-KRWDZBQOSA-N 332.783 4.410 0 1 EIAF O=C1C[C@@H](c2cccc3nsnc23)Oc2c1ccc1c2CCCC1 587537823 KPUHQQQBQFYJNP-KRWDZBQOSA-N 336.416 4.277 0 1 EIAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C)cc(Cl)cc12 587627194 PDKGQTIKBIBOJX-SQABVJJCSA-N 344.842 4.120 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(F)CC2)N1 587739087 TWKHWXIBCKXKFI-IWPPJYEWSA-N 330.216 4.230 0 1 EIAF CCC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587813008 MNFGTRLGLIPIRZ-VFZGTOFNSA-N 342.252 4.169 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(C)nc1Cl 587870531 BRPMGSBDZDPZBJ-UHFFFAOYSA-N 346.793 4.137 0 1 EIAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccccc3-c3ccco3)c3cccc1c32 963017576 CYAFQBDURCOGEP-PEBXRYMYSA-N 344.414 4.089 0 1 EIAF COC(=O)c1ccc(Cc2nc3cc(OC)ccc3c3cc[nH]c23)cc1 1857749846 PACQBALVZGKAFB-UHFFFAOYSA-N 346.386 4.102 0 1 EIAF Cc1ncc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)s1 20538794 HNXLCJHEFANYFY-CQSZACIVSA-N 334.872 4.200 0 3 EIAF N[C@H](c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1 61927401 HNRBFJPEICXLLK-HNNXBMFYSA-N 330.457 4.367 0 3 EIAF O=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1 3842321 VQTHMGSYEABTGU-UHFFFAOYSA-N 342.398 4.012 0 1 EIAF Cc1ccc(OC(=O)CSc2nnc(-c3cccs3)o2)cc1C 8587369 ZSDQCFGEQWLKPS-UHFFFAOYSA-N 346.433 4.113 0 1 EIAF C[C@@H](Nc1nccc(-c2cnn(C)c2)n1)c1ccccc1C(F)(F)F 23380421 DBOUYROMFXDPTA-LLVKDONJSA-N 347.344 4.069 0 1 EIAF C1=C(c2ccccc2)CC[C@@H](CCN2CCN(c3ccccn3)CC2)C1 27715109 MQHGACGPMGUHSJ-FQEVSTJZSA-N 347.506 4.477 0 1 EIAF in-vivo FC(F)(F)c1ccc(Cn2cnc3c(-c4ccco4)ncnc32)cc1 28476421 REAAGOQXVNGFTF-UHFFFAOYSA-N 344.296 4.153 0 1 EIAF c1ccc(-c2cc(NCc3cccnc3)n3ncc(C4CC4)c3n2)cc1 28958727 CCDIUVLNHCGSMH-UHFFFAOYSA-N 341.418 4.281 0 1 EIAF in-vivo CC(C)(C)c1ccc(NC(=O)C2=CCN(c3nccs3)CC2)cc1 40952387 RCIJBRRAWAKJIL-UHFFFAOYSA-N 341.480 4.216 0 1 EIAF C[C@@H]1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1 45340224 VRZZJZNRDAOZGS-CYBMUJFWSA-N 329.831 4.493 0 1 EIAF N[C@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 84615722 FZRDGJPHAFKQNC-OAQYLSRUSA-N 345.442 4.213 0 1 EIAF CCCCCCNC[C@H]1[C@@H]2C[C@H](CO2)[C@@H]1C/C=C\CCCC(=O)O 100643539 COMCECHJTSVFRY-YXEGLXKCSA-N 337.504 4.009 0 1 EIAF CC(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991106 IIXMWIQKWRPNHG-LBPRGKRZSA-N 343.382 4.161 0 1 EIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 587114004 PZJGXFAJVYWMIB-LLVKDONJSA-N 334.341 4.420 0 1 EIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cccnc3[nH]2)c1 587159958 ZNSJJWFEIBGTRA-UHFFFAOYSA-N 329.338 4.103 0 1 EIAF Clc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 587229148 AJJRUPQEJKVZSN-UHFFFAOYSA-N 335.798 4.285 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](c3ccc(F)cc3)C1)O2 587384312 JSNZPFJQPUCFQN-JLTOFOAXSA-N 325.383 4.388 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-n3cccc3)c1)O2 587388936 BUZZIRXBIRSCLJ-NRFANRHFSA-N 332.403 4.249 0 1 EIAF CCn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587391494 RQHFGPYXVQZHHJ-NRFANRHFSA-N 334.419 4.432 0 1 EIAF COc1cc2c3c(c1)O[C@H](CCCc1ccc(C)c(C)c1)[C@@H](C2)C3=O 587446064 SLAKHUCBMOQOGU-RTBURBONSA-N 336.431 4.451 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccc(C)o1)(C(C)(C)C)[C@@H](C2)C3=O 587455739 QBLMWBBFBGFCTC-VBKZILBWSA-N 326.392 4.286 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1OC)CC2=O 587463314 WNAKHXXWVYTGCG-HNNXBMFYSA-N 347.798 4.108 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(OC)c1F)CC2=O 587466627 MVMLPPUKQRFAOC-MRXNPFEDSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1C)CC2=O 587485161 ZUJMPOZMWRYAOK-IBGZPJMESA-N 326.392 4.368 0 1 EIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1 587567702 BBZBNZHNHPALSD-YLJYHZDGSA-N 336.318 4.234 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2)N1 587821955 YXLADXYCZKATMV-DYZYQPBXSA-N 348.215 4.024 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccs2)N1 587847678 LYTQAMGUWBBOAO-PSLIRLAXSA-N 340.261 4.447 0 1 EIAF Fc1c(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1F 587966878 HTMQTFYGBLLROD-XLPZGREQSA-N 325.156 4.283 0 1 EIAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2c[nH]c3ncccc23)cc1 962665064 IRVXOULGTDJSQO-NRFANRHFSA-N 325.415 4.465 0 1 EIAF CC(C)C(C(C)C)[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962977973 PYDMTUNYSRKUJJ-BLLLJJGKSA-N 345.817 4.186 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cc(C)ccc1F 963046534 KFIFAAFCIUIWKS-NRFANRHFSA-N 336.410 4.100 0 1 EIAF Clc1cc(Cl)c2c(c1)[C@]1(NCC2)[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 963110449 POBOXYMRYQSURK-DYBKRDIISA-N 332.274 4.112 0 1 EIAF Oc1ccc2c(c1)[C@@H](c1cc(Br)ccc1Cl)NCC2 963343398 VLUIZRWMTHTRPL-HNNXBMFYSA-N 338.632 4.043 0 1 EIAF COc1ccccc1C1=CCN(CC[C@H](O)c2ccc(F)cc2)CC1 1857645446 TXYAYCJIRQFEJD-FQEVSTJZSA-N 341.426 4.047 0 1 EIAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)c1ccco1 96018963 JRPQQOUSAWPDKS-KZIRBZLESA-N 343.810 4.369 0 3 EIAF CC(C)CCCCCC[C@H](O)CC(=O)N1CCC[C@@H]1c1cccnc1 14684444 OLIIDXSQKLXOMR-VQTJNVASSA-N 346.515 4.493 0 1 EIAF biogenic Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)c1 27625587 BNYXQQIYBRPSAZ-INIZCTEOSA-N 336.819 4.270 0 1 EIAF CC(C)C(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)C 28237301 UEYJURIORREEAK-JKSUJKDBSA-N 343.298 4.465 0 1 EIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2cccnc2c1O 28604053 JOKUXCUTGANOIB-UHFFFAOYSA-N 332.281 4.212 0 1 EIAF COc1ccc(-c2ccccn2)c2cc(C(=O)Nc3ccncc3)oc12 49036271 ZERRKWVZOHXIKQ-UHFFFAOYSA-N 345.358 4.151 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H]5[C@@H](C[C@H]32)[C@]5(CO)C4)C1(C)C 102037797 UBTQUINDRHFXPQ-KEMBWAELSA-N 346.511 4.179 0 1 EIAF Clc1cc(Cl)c2nc(SCCN3CCCCC3)[nH]c2c1 136428425 KIASVTBJYWBFES-UHFFFAOYSA-N 330.284 4.448 0 1 EIAF COc1nccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587075453 DQQUEYRAVNHFPR-UHFFFAOYSA-N 336.782 4.349 0 1 EIAF CC(C)Oc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587084998 WGNFCTLUOCLXTA-UHFFFAOYSA-N 327.815 4.478 0 1 EIAF CN(C)CCOc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587112316 HWKAYTNTVCSVNQ-UHFFFAOYSA-N 349.356 4.189 0 1 EIAF C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@@H]1C(=O)O 587205635 AOZIFIZZOBBNRL-RYUDHWBXSA-N 343.382 4.197 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccnc1)O2 587386559 ZTPPOFSZPWXZOV-NRFANRHFSA-N 348.377 4.020 0 1 EIAF Cc1cccc([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)c1 587393176 COIFILLSRUXULS-QFIPXVFZSA-N 344.414 4.190 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1C)CC2=O 587480224 OBKWTLMDRUFFOE-LJQANCHMSA-N 326.392 4.368 0 1 EIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(Oc2ccccc2)C1 587481123 PRCRYYHUEPYWRM-UHFFFAOYSA-N 338.403 4.290 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(C)cc13)CC2=O 587487529 VYQGBOMOUZTYFT-GOSISDBHSA-N 336.391 4.236 0 1 EIAF O=C1C[C@@H](c2c(F)ccc(F)c2O)Oc2c1ccc1c2CCCC1 587507363 PTRUHYQWUKHTIY-INIZCTEOSA-N 330.330 4.256 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2)N1 587818186 GNUFONSNTXPCGD-DYZYQPBXSA-N 348.215 4.024 0 1 EIAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)NCCc2cc(C)c(F)cc21 962295267 DCHUPXQPAOORPN-NRFANRHFSA-N 338.426 4.131 0 1 EIAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN[C@@H]2C 1857616573 FRURHNMAXCCCIB-SECBINFHSA-N 343.477 4.190 0 1 EIAF C[C@@H](O)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959512 KTLXOVDVEZSSEE-CYBMUJFWSA-N 333.366 4.415 0 1 EIAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc(C)c1C 28707866 XZNWOAGEUGPEPT-UHFFFAOYSA-N 336.482 4.161 0 1 EIAF CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@H](OC)C(C)(C)OC 29312765 XTUMFTHYMVBWBB-SULJIWNDSA-N 326.477 4.298 0 1 EIAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)C1(CCCCC1)C2 39220341 KFTDMAYNLMIBGK-UHFFFAOYSA-N 343.206 4.146 0 1 EIAF O=C(CCCCCCc1ccccc1)c1nnn(-c2ccccc2)n1 40874967 ISYUKTCEOMBQHH-UHFFFAOYSA-N 334.423 4.038 0 1 EIAF CC(=O)n1c(C(=O)O)c(-c2ccccc2F)c2cc(Cl)ccc21 72183316 CHVFRZNAIGLLFS-UHFFFAOYSA-N 331.730 4.459 0 1 EIAF COc1cc(OC)cc(-c2cc3c(Nc4cccnc4)nccc3[nH]2)c1 74387010 NFINSNAKGMJFAB-UHFFFAOYSA-N 346.390 4.386 0 1 EIAF c1ccc(Sc2nc3nonc3nc2Sc2ccccc2)cc1 82053213 QMHWZXLGKMNCMF-UHFFFAOYSA-N 338.417 4.315 0 1 EIAF Cc1ccc(C(=O)N2[C@@H]3C=C[C@H](C3)C2(C(F)(F)F)C(F)(F)F)cc1 100637258 GUAQAAUEJQSNKZ-VXGBXAGGSA-N 349.274 4.259 0 1 EIAF COC(=O)C1=C(c2ccc(Br)cc2)C[C@H]2CC[C@H]1S2 101018926 JIRFQBTTXOAYCT-DGCLKSJQSA-N 339.254 4.044 0 1 EIAF O=C(Nc1cccnc1)N1CC(Oc2ccc(-c3ccccc3)cc2)C1 114003581 OJNMDFAPRGQGBO-UHFFFAOYSA-N 345.402 4.044 0 1 EIAF C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C[C@H]3CN3)CC[C@H]12 253688869 KRFWHRJXDKUGAA-KQPNTNBQSA-N 329.528 4.288 0 1 EIAF CCOCc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)o1 586902933 IEKUMBWYKZISKE-UHFFFAOYSA-N 339.164 4.261 0 1 EIAF COc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cn1 587015460 DYBOMYPWHHDJKN-UHFFFAOYSA-N 342.811 4.410 0 1 EIAF Cc1cc(Cl)cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587035138 OVWBAIZFZMLHKD-UHFFFAOYSA-N 345.855 4.005 0 1 EIAF Clc1cccc(C2(c3nc4ccc(Br)cc4[nH]3)CC2)n1 587084238 KEETXOYVUMQYHV-UHFFFAOYSA-N 348.631 4.454 0 1 EIAF COc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1OC 587085942 PLBJZNCWJFAJRP-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(Br)cc2[nH]1 587089338 AXSFZZNLCUQGOW-QMMMGPOBSA-N 331.494 4.249 0 1 EIAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)C(=O)CC4)-c1ccccc1C2=O 587101950 XRIGEFUFAYCENH-LBPRGKRZSA-N 327.383 4.373 0 1 EIAF Fc1cc(F)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232407 TYCKHYKQUAGFTL-UHFFFAOYSA-N 339.345 4.391 0 1 EIAF CO[C@H](C)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398544 FDNAGRSHGYABFG-ZUOKHONESA-N 325.408 4.165 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O 587425957 ITMBLLUFSHNYEN-SCLBCKFNSA-N 332.758 4.151 0 1 EIAF COc1cc2c3c(c1)O[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587445876 PMIVXRFXONPBNY-MSOLQXFVSA-N 336.431 4.351 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C)CC(=O)C[C@@]2(C)C1 587478694 HDMPJTYGCGLHMD-WKCHPHFGSA-N 342.435 4.218 0 1 EIAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529860 QQCSEJGNERMXEU-YHYVQYDKSA-N 338.447 4.295 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587607950 JGCAPSOUCLKEKV-NQIIRXRSSA-N 348.354 4.109 0 1 EIAF COc1ccc(CNC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631774 SZJWRKKMYSKWLL-UHFFFAOYSA-N 346.789 4.207 0 1 EIAF Nc1ccnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783870 HRTALYVBBVYLQZ-FLIBITNWSA-N 342.402 4.290 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc32)N1 587820267 ZMVQROZXQMDFHP-BBATYDOGSA-N 346.243 4.312 0 1 EIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3nn(C)c(C)c3c2)N1 962950747 SPVOGURVNHZWAU-VFNWGFHPSA-N 344.462 4.377 0 1 EIAF CC[C@]1(CCCCCC(=O)O)c2c(F)cccc2C[C@H]2CCCN21 963097528 FSIZUHNPAOGNGV-UZLBHIALSA-N 333.447 4.487 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC1OCCO1)C(C)(C)C 963242944 QTGLBLYRUIPHMI-IIBYNOLFSA-N 331.500 4.348 0 1 EIAF COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)c(F)c1 1857643941 TWINRHZBWTXHQZ-UHFFFAOYSA-N 339.292 4.180 0 1 EIAF CCC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 61923283 OYRJVVAPVVEZHK-QFBILLFUSA-N 336.435 4.095 0 3 EIAF CCN1c2nc3ccccc3nc2N(CC)c2nc3ccccc3nc21 1642638 ZPGQLUVVMRPZHE-UHFFFAOYSA-N 342.406 4.202 0 1 EIAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nocc5C[C@@]4(C)[C@H]3CC[C@@]21C 13640954 NSYTUNFHWYMMHU-BXCFIBNVSA-N 329.484 4.383 0 1 EIAF Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)[C@H]3CCCCN3)c2c1 27523964 HATYYHRAZIDOHD-RHSMWYFYSA-N 338.373 4.046 0 1 EIAF CCCCOC(=O)NCCc1nc(-c2ccc(CCC)cc2)c[nH]1 28891270 YWTRDLJELCMBNQ-UHFFFAOYSA-N 329.444 4.098 0 1 EIAF CC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2)cc1 34470215 NCVBYYDVAKFQGW-UHFFFAOYSA-N 347.374 4.085 0 1 EIAF CNc1nc2cnc(-c3cccc(F)c3)cc2n1Cc1ccccc1 82083968 NMCZXPQBWPMKTK-UHFFFAOYSA-N 332.382 4.327 0 1 EIAF CNc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1 84712684 FROCFHXNNYAUCE-UHFFFAOYSA-N 325.755 4.031 0 1 EIAF CCCC[C@@H](O)/C=C/[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169325733 FGOHBHQHFAYLCZ-KXAANJRMSA-N 336.472 4.089 0 1 EIAF O=S1(=O)C=Cc2cc(-c3cccc(C(F)(F)F)c3)ccc2O1 299859253 FQHGEPUFTBCJNW-UHFFFAOYSA-N 326.295 4.065 0 1 EIAF COc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900806 NBQCDPVXWBEEHV-UHFFFAOYSA-N 348.358 4.223 0 1 EIAF Brc1ccc2nc(CSCc3ccsc3)[nH]c2n1 587027812 SJRGFUYIUVFZQI-UHFFFAOYSA-N 340.271 4.215 0 1 EIAF Clc1cccc(COc2ccc(-c3nc4cnncc4[nH]3)cc2)c1 587070442 IYSLCACHBYKIHZ-UHFFFAOYSA-N 336.782 4.252 0 1 EIAF Cc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126538 COPDKTCYQZTXMZ-UHFFFAOYSA-N 332.285 4.313 0 1 EIAF Cc1cc(Br)c(-c2nc3cncc(Cl)c3[nH]2)cc1F 587137775 KTJOSXXLGYNXTD-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF CNc1cccc(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)c1 587233197 KILRVHISQABZBO-UHFFFAOYSA-N 342.402 4.038 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccsc3)n1)O2 587415357 ZDCPAUZWEWTPOY-SFHVURJKSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CC[C@@H](c4ccc(F)cc4)C1)[C@@H](C2)C3=O 587426237 BIMFAQFACVJLFY-JRQSSSKMSA-N 338.378 4.288 0 1 EIAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC 587444508 ZTMGJYPKHHDDRU-IERDGZPVSA-N 338.403 4.145 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(F)cc1F)CC2=O 587467901 VFWLXTLDIBUYEM-QGZVFWFLSA-N 348.345 4.338 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-n3cccn3)c1)CC2=O 587474255 DLJZEBMWKYDBQM-FQEVSTJZSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccoc3c1)CC2=O 587479860 AOKSJGGDCBEALK-HXUWFJFHSA-N 337.375 4.367 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Cl)s1)CC2=O 587495713 QBGDOVOOCUXZGJ-INIZCTEOSA-N 337.828 4.335 0 1 EIAF O=C1C[C@@H](c2ncc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587509228 QUCYAGBOFJTYCH-INIZCTEOSA-N 331.774 4.459 0 1 EIAF CCOC(=O)C[C@@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527504 XJHGOCKXXUMVFL-OAQYLSRUSA-N 342.435 4.023 0 1 EIAF C[S@@](=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531207 GQQTZXODWXIUTL-NTKDMRAZSA-N 340.444 4.009 0 1 EIAF C[C@]12C[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601343 CXGKMTVGRMQDKT-SMIBBHEZSA-N 336.387 4.303 0 1 EIAF CCCOc1cccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587777766 BVZXCVYXTGPDSG-UHFFFAOYSA-N 346.333 4.264 0 1 EIAF CCC(=O)C[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587813954 RFINVWMVFSEUOI-HWPZZCPQSA-N 342.252 4.097 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587951942 KGWIZWTXNWODAZ-WBIUFABUSA-N 334.391 4.447 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2n1ccnn1 1772587252 DQEWLOPHJKOLMG-MGURBANRSA-N 339.483 4.053 0 1 EIAF Cc1cc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)ccn1 1857601438 VLHWCXHQAXUOCB-UHFFFAOYSA-N 345.381 4.338 0 1 EIAF CCCCC[C@@H](O)C=CC=CCCCC[C@@H](CCC(=O)O)NCC 2356353094 HZOZPLSYGFJABL-RBUKOAKNSA-N 339.520 4.443 0 1 EIAF CO[C@]12CC(C)=CCC[C@@]3(C)[C@H]4CC[C@@](C)(O4)[C@@H]3CC1=C(C)C(=O)O2 2356555507 XSSYRWDNKNIHHM-FLTCSQOGSA-N 346.467 4.297 0 1 EIAF CCN(CC)CCC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 1624558 AZBIGTAPZFFJAP-HXUWFJFHSA-N 338.451 4.038 0 1 EIAF Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1 3815058 ORCWMSOZENFEDR-UHFFFAOYSA-N 340.184 4.012 0 1 EIAF COc1c(O)c(C(C)=O)c(OCc2cccc(C)c2)c2ccoc12 13682284 OQNXRCFLJJTWFY-UHFFFAOYSA-N 326.348 4.237 0 1 EIAF COc1ccc(/C=C/C(=O)N2CCCCC2)c(OC)c1CC=C(C)C 15119370 DIHCUOAXOFINKK-JLHYYAGUSA-N 343.467 4.238 0 1 EIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@@H]12 34801392 YFWPHJWDVIVLDC-CZLQCDLFSA-N 343.511 4.175 0 1 EIAF Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)cc1C 53242735 YHZHJQIHWHUKCP-QGZVFWFLSA-N 343.883 4.352 0 1 EIAF COc1cc(F)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1 73159458 MLJILDFMLRVIKN-UHFFFAOYSA-N 336.370 4.017 0 1 EIAF OCCCCNc1cncc(Oc2ccc3oc4ccccc4c3c2)n1 82068688 BTLFWEVKNHYQIE-UHFFFAOYSA-N 349.390 4.353 0 1 EIAF COc1ccc(CNc2cc(-c3cc(F)ccc3F)ncn2)cc1 82160898 LQEVNIACNNOCFP-UHFFFAOYSA-N 327.334 4.043 0 1 EIAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(Cl)c3)oc2c1 169161600 OZRZNPPSBGSEBC-SNVBAGLBSA-N 339.782 4.008 0 1 EIAF CC(C)(O)c1cc2c3c(ccc2o1)C(=O)C[C@@H](c1ccc(O)cc1)O3 473136170 NNTNZSXIELRUQM-KRWDZBQOSA-N 338.359 4.072 0 1 EIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587062016 NNOZMHJLZDTVJR-GOEBONIOSA-N 344.802 4.470 0 1 EIAF CC(C)COC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107631 SGXLEVRBQNNTAZ-UHFFFAOYSA-N 345.398 4.188 0 1 EIAF Cc1c(Br)cnc2[nH]c(-c3cc(S)ccc3F)nc12 587140950 KOXCADOYFFUZNN-UHFFFAOYSA-N 338.205 4.124 0 1 EIAF COc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cn1 587149224 IPEQGLOFCXUJLV-LJQANCHMSA-N 348.381 4.307 0 1 EIAF Cc1cc(Br)cc2nc(COc3ccc(F)cc3)[nH]c12 587168267 DNUBIBVJQLCCMA-UHFFFAOYSA-N 335.176 4.352 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Br)O2 587376177 IBIZTGLQRKQSSM-HNNXBMFYSA-N 332.197 4.046 0 1 EIAF CCN1c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@@H]1C 587396572 UJUFZVDAVRVOCO-RNODOKPDSA-N 336.435 4.055 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccncc1)[C@@H](C2)C3=O 587435967 KZDCINQIRPXOEJ-PGRDOPGGSA-N 343.382 4.246 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(CC)noc1C)CC2=O 587484553 PNNIWNHLNLPRPM-LJQANCHMSA-N 329.396 4.084 0 1 EIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC21CCCC1 587605207 YGCVRKDPDKSNHA-LAUBAEHRSA-N 336.387 4.447 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587768966 FJLOHCOQRAGFLS-BTDLBPIBSA-N 349.247 4.169 0 1 EIAF Cc1cc(O)cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962703737 NQEURABULHWSQA-MGPUTAFESA-N 343.467 4.293 0 1 EIAF O=C([C@@H]1Cc2ccccc2[C@@H](CCCc2ccccc2)N1)C(F)(F)F 962729685 JIFFCSMOVBRQFE-MSOLQXFVSA-N 347.380 4.396 0 1 EIAF Cc1ccc([C@@]2(C3CC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1C 963037427 VNUCOPXJZZEOSE-WAIKUNEKSA-N 346.474 4.010 0 1 EIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12COc1c(cccc1OC)C2 963240627 KXMLLHVZVHSLMX-OPAMFIHVSA-N 337.463 4.182 0 1 EIAF COc1ccc(Cl)c2c1CCN[C@]21c2cccc(F)c2CC[C@H]1C 963259996 VOSDHTNUKVIBCL-MPBGBICISA-N 345.845 4.459 0 1 EIAF COc1cccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)c1 1772605119 HORCRNXRWFDNSD-UHFFFAOYSA-N 344.370 4.151 0 1 EIAF Cc1cccc(-c2nc(NC(=O)C3CCC3)cc3c2CCCN3)c1C 1857553969 MKAONUIWRXVYBN-UHFFFAOYSA-N 335.451 4.462 0 1 EIAF Cc1ncc(C)n2nc(-c3ccc4[nH]c(-c5cccs5)nc4c3)nc12 1857750099 IQLOGUSBOICIPD-UHFFFAOYSA-N 346.419 4.013 0 1 EIAF COc1ccc([C@@H]2c3c(ccc4c3OCO4)C[C@H](C)[C@H]2C)cc1OC 2356496758 ZJRZMBOBSXVTJW-XEKQOVJPSA-N 340.419 4.393 0 1 EIAF CC[C@H](C)NC(=O)C=CC=CCCC=Cc1ccc2c(c1)OCO2 2356725229 AHEYHYFMDFGWEG-INIZCTEOSA-N 327.424 4.236 0 1 EIAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@H](NCc2ccco2)C1 2356833161 IEZAEOHXOBBUAD-UXHICEINSA-N 347.462 4.343 0 1 EIAF O=C(CN1[CH]C=Cc2ccccc21)c1ccc(Br)cc1 2356853145 RIOGUEWGOJLVHW-UHFFFAOYSA-N 327.201 4.327 0 1 EIAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(CSc1ccc(O)cc1)O2 13652080 YHAHRNRAZNFISF-LJQANCHMSA-N 329.465 4.386 0 1 EIAF C[C@H]1COc2c(O)c3c(c(O)c21)C(=O)C[C@H]1C(C)(C)CCC[C@]31C 14514573 AFKBIJLWRQCMOW-QARYCYADSA-N 330.424 4.264 0 1 EIAF Cc1ccc2oc(=O)c(C(=O)NCc3cccc4ccccc34)cc2c1 40430494 AVGJZESYBKYYGZ-UHFFFAOYSA-N 343.382 4.185 0 1 EIAF CC(=O)N1N=C(Nc2nc3ccccc3s2)C[C@@H]1c1ccccc1 45289151 OWVGSTROYDEJLO-OAHLLOKOSA-N 336.420 4.015 0 1 EIAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 82177929 NEMNPDAHBZVUPG-CQSZACIVSA-N 338.459 4.002 0 1 EIAF C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2CC[C@H]1C[C@@H]2CC[C@@H]1C2 101216960 JJDFSKYVEMOTAE-GRLGQGAKSA-N 329.532 4.137 0 1 EIAF CC[C@]1(C(=O)NCCc2ccc(Cl)s2)[C@@H](C)C1(Cl)Cl 103296644 OACHGQWHNADBRX-PRHODGIISA-N 340.703 4.280 0 1 EIAF O=C(Nc1ccc(CC[C@H]2CCCCN2)cc1)c1ccc(F)cc1 117720845 AFCKSHLXPSBSGE-GOSISDBHSA-N 326.415 4.153 0 1 EIAF CCCn1ccc2c(OCCc3ccc(OC)cc3)cccc2c1=O 140243356 RSWCTZNXSACFAL-UHFFFAOYSA-N 337.419 4.042 0 1 EIAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(Br)cc2[nH]1 586882156 KVRLLRCIKMWUFQ-YVMONPNESA-N 343.180 4.090 0 1 EIAF Fc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004217 RLNILAUUIJOXHV-UHFFFAOYSA-N 331.148 4.008 0 1 EIAF O=C(CCCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Cl)cn1 587082862 YBCSGIFEIGHYSN-UHFFFAOYSA-N 335.741 4.095 0 1 EIAF C[C@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587169538 YQHZVWLQDLMXMU-QMMMGPOBSA-N 336.269 4.164 0 1 EIAF CCCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 587212753 UOXKNEGDNNCVNN-UHFFFAOYSA-N 347.414 4.416 0 1 EIAF CCCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357949 XIYZTPVXMMSQKG-AZUAARDMSA-N 342.366 4.018 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1cccc(C)c1OC(F)F)[C@@H](C2)C3=O 587421488 LGNFLEWCQAZUPU-SCLBCKFNSA-N 346.329 4.094 0 1 EIAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O 587429082 SCYARGASICSNGV-SCLBCKFNSA-N 332.758 4.151 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCCC(C)C)CC2=O 587485417 WGGVHVAMMLQKHC-HXUWFJFHSA-N 348.439 4.048 0 1 EIAF C[C@@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587525299 VAMKNYKMUXBRMQ-ZFWWWQNUSA-N 344.451 4.267 0 1 EIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)n1 587773962 SUJKNNNEJVMJNM-GTNSWQLSSA-N 349.247 4.224 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(CO)cc3[nH]2)cc1 587937557 PHRVRJXDRJQLIS-NRFANRHFSA-N 344.414 4.244 0 1 EIAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)ncc3[nH]2)CC1 587970931 OUQRDIPZTILNEY-UHFFFAOYSA-N 325.799 4.041 0 1 EIAF Nc1c(-c2nc3ccccc3s2)c(O)cn1CCc1ccccc1 958064372 MHZWYNOIUBSWCW-UHFFFAOYSA-N 335.432 4.295 0 1 EIAF CC1(C)Cc2n[nH]cc2[C@]2(C1)NCCc1cccc(-c3ccccc3)c12 962664026 HZDQEXDUROGVLV-QHCPKHFHSA-N 343.474 4.438 0 1 EIAF O=C1CCC[C@@H]2CCC[C@]3(c4ccc(F)cc4C[C@@H]4CCCN43)[C@H]12 963092619 ACRWSOXFNGPTCP-KAKWUFLPSA-N 327.443 4.211 0 1 EIAF COc1ccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963108705 XXWFQIQQEPJOKR-WIYYLYMNSA-N 325.427 4.427 0 1 EIAF Cc1c(Oc2cccc(C(=O)O)c2)c2ccccc2n1-c1cnn(C)c1 1772618007 VCQBLWRYLBZDOX-UHFFFAOYSA-N 347.374 4.163 0 1 EIAF Nc1cc(F)ccc1NC(=O)c1ccc(COc2ccccc2)cc1 1772618407 CAPBWULSYXYEMQ-UHFFFAOYSA-N 336.366 4.239 0 1 EIAF CCOC(=O)c1[nH]cc(Cc2ccc(C(F)(F)F)cc2OC)c1C 1911582705 QQSOXMUNMCBUNX-UHFFFAOYSA-N 341.329 4.118 0 1 EIAF COc1ccc2c(c1C=CC(C)(C)O)O[C@H](c1ccccc1)CC2=O 2356386327 DSOKHRJRTZPRBU-IBGZPJMESA-N 338.403 4.186 0 1 EIAF C=C(OC)C1=CO[C@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 2356456744 OZWKLHPDZNRGGY-ZTFGCOKTSA-N 346.430 4.392 0 1 EIAF CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CNC[C@@H]2CC[C@@H]34)C1 2356597121 VFPYOBOSZJFCKD-DETDNOOFSA-N 342.571 4.469 0 1 EIAF N=c1oc2cc(O)ccc2cc1C(=O)Nc1cccc2ccccc12 1655906 VFSRGJFRQMQJPF-UHFFFAOYSA-N 330.343 4.023 0 1 EIAF COc1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1 6484548 LBSDTLGHJQKDCG-UHFFFAOYSA-N 340.400 4.313 0 1 EIAF O=C(Nc1sccc1C(=O)O)c1cccc(Oc2ccccc2)c1 13611221 REEJLZIQJPIAFN-UHFFFAOYSA-N 339.372 4.491 0 1 EIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc3c(c1)oc1ccccc13)C2 26939144 IBPVOWRUOFHHKZ-XYPWUTKMSA-N 335.403 4.368 0 1 EIAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)CC[C@@H]1C/C=C\CCCC(=O)O 27877307 KXUJQSLULBXWEU-POPPZSFYSA-N 336.472 4.280 0 1 EIAF CON1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1 27885087 DYUWGEUIBMQALP-UHFFFAOYSA-N 341.274 4.048 0 1 EIAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1F 40873460 DXCAOQUCTIIDTG-UHFFFAOYSA-N 348.337 4.001 0 1 EIAF CCCCCc1cc(OCCN(C)C)cc2c1C(=O)CC(C)(C)O2 45194875 JVUKPQUUNAWKKW-UHFFFAOYSA-N 333.472 4.104 0 1 EIAF CCCCC[C@H](O)/C=C/C=C/CCCC[C@H](CCC(=O)O)NCC 85491003 HZOZPLSYGFJABL-VBVRNAOJSA-N 339.520 4.443 0 1 EIAF biogenic,in-vitro COc1ccc(CN2CCC[C@H](Nc3cccc4cnccc34)C2)cc1 114337708 CINLZTAGAYPKGA-IBGZPJMESA-N 347.462 4.320 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 586908287 CIKFPOBMWFJBEY-JOYOIKCWSA-N 327.197 4.137 0 1 EIAF N[C@H](N=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021699 NSGPVLOLNRXNEZ-QGZVFWFLSA-N 349.419 4.001 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](CCO)CCC3 587207690 VKTLEOGQNULXCY-ZDUSSCGKSA-N 329.399 4.249 0 1 EIAF Clc1cncc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229549 HTWHPBCZOLRINT-UHFFFAOYSA-N 335.798 4.285 0 1 EIAF C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353914 PKIDCNYGYXZMRG-LIUKBUMOSA-N 326.367 4.449 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1oc3ccc(F)cc3c1C)O2 587386549 ZPJFYNNDAZBMON-KRWDZBQOSA-N 325.339 4.477 0 1 EIAF CO[C@@H](C)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398542 FDNAGRSHGYABFG-RNODOKPDSA-N 325.408 4.165 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)ccc1Cl)CC2=O 587461636 LICLHIZNMANKKQ-QGZVFWFLSA-N 332.783 4.410 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)C(F)(F)F)CC2=O 587462523 QTGOIFZNSVCOSL-CYBMUJFWSA-N 338.272 4.266 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1nccn1-c1ccccc1)CC2=O 587470832 MMOFVAUXXYUKHO-LJQANCHMSA-N 348.402 4.237 0 1 EIAF CC(=O)c1cc(N)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511183 NQVCCPGWIJBDKU-QFIPXVFZSA-N 349.430 4.231 0 1 EIAF CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587353 MQQNWZCMQYRPRM-NQIIRXRSSA-N 347.370 4.054 0 1 EIAF CCc1ccc(C(=O)CCc2nc3ccc4ncccc4c3[nH]2)cc1 587956512 DWVIJLCCBBJJRP-UHFFFAOYSA-N 329.403 4.489 0 1 EIAF COc1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc(F)c1OC 963099262 JJWCKTFPHBSSFA-BEFAXECRSA-N 345.389 4.092 0 1 EIAF CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1 1857575051 LFGRESLGCGHUEH-UHFFFAOYSA-N 346.430 4.467 0 1 EIAF COc1ccc(CN[C@H](C(=O)O)C(C)C)cc1-c1cccc(Cl)c1 1857582173 DFPSNMHWDKBXLH-SFHVURJKSA-N 347.842 4.214 0 1 EIAF C[C@@H](c1ccccc1)[N@@]1O[C@]12CC[C@@]1(C)[C@@H](CCCC13OCCO3)C2 1857626464 XENZARRASDXGFQ-XZMCUBLMSA-N 343.467 4.425 0 1 EIAF Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccc(Cl)cc2)c1 1857751727 JULXCZRWWNHUAF-SFHVURJKSA-N 329.783 4.399 0 1 EIAF COc1ccc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)cc1O 2356629725 OLMIQOIPLQDJFU-UONOGXRCSA-N 328.408 4.187 0 1 EIAF CC(=O)OC[C@@]12C=C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@]4(C)[C@@H]3CC1)C2 2356663768 UZCNEKYYWBFMSI-QZKGNRECSA-N 346.511 4.491 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@@H](O)[C@H](C(C)C)CC3 2356713665 OLNJNDLWCJADAH-ACLGETGGSA-N 334.500 4.489 0 1 EIAF Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1 3896466 KXRSHNBOPLSTBF-UHFFFAOYSA-N 344.374 4.177 0 3 EIAF CCCCc1nc2cc(C(=O)N3CCC[C@H](OCCC)C3)ccc2o1 11933729 GKQFNYVAXKKZFJ-INIZCTEOSA-N 344.455 4.202 0 3 EIAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@]2(C)CCC1=CCOC1=O 14928277 IYPOCJXQNIFGFO-SMOSDQRPSA-N 332.440 4.113 0 1 EIAF biogenic C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 15220425 QSXNOUPYXMWUKT-UYXSKUEKSA-N 332.440 4.108 0 1 EIAF in-man COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 28222338 LDWUTNIBCYFOMA-UHFFFAOYSA-N 349.818 4.396 0 1 EIAF CC(C)c1ccc(CNCCCOc2cccc3ccc(N)nc23)cc1 28390463 KXGYGYVXRMFZSI-UHFFFAOYSA-N 349.478 4.499 0 1 EIAF CCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1 43176010 KARCQBSGJGQAAZ-UHFFFAOYSA-N 344.842 4.055 0 1 EIAF CC1(C)C=Cc2c(ccc3cc(-c4ccc(O)cc4O)c(=O)oc23)O1 45337018 VFIXONREXXFDQV-UHFFFAOYSA-N 336.343 4.055 0 1 EIAF endogenous,in-man CC(C)[C@@](C)(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 84672111 OKTCWLWVPKWVHH-LJQANCHMSA-N 329.827 4.367 0 1 EIAF Cc1nn(-c2nc3ccc(F)cc3s2)c(O)c1-c1ccccc1 101463478 JDZGBOWZZUVESD-UHFFFAOYSA-N 325.368 4.302 0 1 EIAF O=C(Nc1ccc(CC[C@@H]2CCCCN2)cc1)c1ccc(Cl)cn1 117736678 QGLMYIVKQBMWLF-INIZCTEOSA-N 343.858 4.062 0 1 EIAF Oc1ccc2nc(Cl)n(-c3ccccc3SC(F)(F)F)c2n1 118264422 HLUCMICIQGMDBP-UHFFFAOYSA-N 345.733 4.391 0 1 EIAF CC1=NN=C(c2cc3ccccc3s2)c2cc3oc(=O)[nH]c3cc2C1 169703946 PFRNKLACBZOGIV-UHFFFAOYSA-N 347.399 4.105 0 1 EIAF CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 319957698 IKSSDTQHCBFPCN-UHFFFAOYSA-N 333.771 4.078 0 1 EIAF CC(C)(C)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587024934 GXYHIDWWLKSSJZ-UHFFFAOYSA-N 336.511 4.293 0 1 EIAF O=C(O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032661 MIHJSVSTGPPEOX-UHFFFAOYSA-N 349.415 4.269 0 1 EIAF Cc1ccc(C)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc12 587041063 VEENCORVBAFBNJ-LBPRGKRZSA-N 333.457 4.162 0 1 EIAF COc1cc(-c2nc3ccc4ncccc4c3[nH]2)cc(Cl)c1O 587046394 RGQCIEJKLKMGFU-UHFFFAOYSA-N 325.755 4.146 0 1 EIAF COc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(Cl)c1O 587046614 YHDIAMNOIAXAMG-UHFFFAOYSA-N 327.142 4.390 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3cncc(Cl)c3[nH]2)ccn1 587091726 ODUDEYMHYVUZQB-UHFFFAOYSA-N 344.749 4.328 0 1 EIAF Fc1c(F)c(F)c(/C=C\c2nc3cncc(Cl)c3[nH]2)c(F)c1F 587134109 HYJQPDKSEUUTRZ-UPHRSURJSA-N 345.658 4.477 0 1 EIAF Fc1ccc2[nH]cc(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2c1 587175681 XXOLYADEYCYTKS-UHFFFAOYSA-N 337.251 4.331 0 1 EIAF CCOC(=O)/C(=C\c1ccccc1)c1cc2c3c(cccc3n1)CC2 587211147 CSFTVGJAAQVACB-AQTBWJFISA-N 329.399 4.437 0 1 EIAF Nc1ccc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587251362 DULPJADYALVNCM-UTCJRWHESA-N 349.619 4.126 0 1 EIAF CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCCCC2 587403802 RBSNDZSLMMMNJY-XLIONFOSSA-N 329.440 4.041 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccsc3)nc1)O2 587413506 OYEKVCASLVBTGA-GOSISDBHSA-N 336.416 4.407 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cccc3nsnc13)CC2=O 587495206 NWISTKHILHVTRP-INIZCTEOSA-N 340.404 4.056 0 1 EIAF O=C1C[C@@H](c2cnc(C(F)(F)F)nc2)Oc2c1ccc1c2CCCC1 587505890 IWWIFILZKAIUGP-HNNXBMFYSA-N 348.324 4.081 0 1 EIAF CCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521585 ILPIUBSHMINGOT-HXUWFJFHSA-N 330.424 4.023 0 1 EIAF COc1ccc(CNC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 587626687 HFWNKOZYCVCPJR-UHFFFAOYSA-N 342.826 4.377 0 1 EIAF Cc1cc(Nc2ccccc2)n2nc(SCc3ccccc3)nc2n1 1772575501 XWKDKSKJKCWNBD-UHFFFAOYSA-N 347.447 4.469 0 1 EIAF O=C1C[C@@H](C2CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27087660 JLGOQHUROPCZMO-LBPRGKRZSA-N 345.826 4.218 0 1 EIAF C[C@H]1CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 40700972 LTWIOIIEIHAYGU-RWXMBLCBSA-N 325.496 4.497 0 1 EIAF C[C@]1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21 40956703 ZEMCXAZYSOBAGF-QFIPXVFZSA-N 335.447 4.206 0 1 EIAF Cc1ccc(Nc2ncc(C(=O)N3CCCC[C@H]3C)cc2Cl)cn1 45352423 QNYQRZYDZSRQND-CYBMUJFWSA-N 344.846 4.197 0 1 EIAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)c2c[nH]nc2N1 64448724 WAVRZPRJJZCYQU-GOSISDBHSA-N 348.381 4.019 0 1 EIAF Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2 96927725 UOEDUDFJERAGOF-GOTSBHOMSA-N 349.474 4.140 0 1 EIAF O=C1[C@@H]([C@H](O)c2cccc3ccccc23)CCCN1Cc1ccccc1 103282712 RJMBWHZCMCFCPO-FGZHOGPDSA-N 345.442 4.312 0 1 EIAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Br)cc21 143476508 LVUYIGJEXDEDQN-CYBMUJFWSA-N 329.115 4.228 0 1 EIAF COc1ccc(Cn2cnc3ccc(-c4c(C)noc4C)cc32)cc1 169322608 XQTABMGRPLUTBC-UHFFFAOYSA-N 333.391 4.365 0 1 EIAF Cc1cc(N[C@@H]2CCCc3ccccc32)c2cccc(C(N)=O)c2n1 473088733 JVFPZDMOMLOLQO-GOSISDBHSA-N 331.419 4.132 0 1 EIAF Oc1c(Br)ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883501 KKBWGGGNUZVJOE-NOTQWWDFSA-N 347.256 4.499 0 1 EIAF COc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Cl 586905116 GVIDJTZAXJCNCE-LBPRGKRZSA-N 332.787 4.163 0 1 EIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 586906724 GYDXDJYINOZIHV-MRVPVSSYSA-N 335.190 4.451 0 1 EIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(OC)c(OC)cc3[nH]2)n1 587080575 QVQOGJLXVZFYPJ-SECBINFHSA-N 334.807 4.068 0 1 EIAF COC(=O)[C@H](C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587096283 BXOLFOHSYFKCHP-CYBMUJFWSA-N 345.398 4.340 0 1 EIAF Cc1cccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587235057 DXDICIXCXQQCDB-ZIAGYGMSSA-N 329.444 4.422 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ncccc3F)o1)O2 587386248 UWDSDPUPWDNEGB-QGZVFWFLSA-N 338.338 4.078 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)c(C)c1)[C@@H](C2)C3=O 587439158 KBPGJZIIUBKOIH-KKSFZXQISA-N 338.403 4.280 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc4c5c(cccc15)CC4)[C@@H](C2)C3=O 587446852 GXBDQSYSBWOZOR-FDDCHVKYSA-N 342.394 4.436 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)cccc31)CC2=O 587471948 NBEJEQJBRLBARW-FQEVSTJZSA-N 342.366 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3nccc-3c1)CC2=O 587482752 JANFLQGVRBAPOF-HXUWFJFHSA-N 336.391 4.053 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccncc2)N1 587779737 VMEJHOUGDVCAJX-UGJMKVNBSA-N 347.231 4.272 0 1 EIAF COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)CC2 587938229 RDABAVPGSFHGOZ-LLVKDONJSA-N 347.340 4.258 0 1 EIAF O=c1oc(-n2c(C(F)(F)F)nc3ccccc32)cc2ccccc12 653785871 GACVWFCMYQUEMO-UHFFFAOYSA-N 330.265 4.151 0 1 EIAF O=C(O)CCCSc1nnc(-c2ccc(C3CC3)cc2Cl)o1 1857557376 AKQOOCVXRXDGNN-UHFFFAOYSA-N 338.816 4.224 0 1 EIAF CC1=C(CCN2CCN(C3CCCC3)[C@H](CCO)C2)C(C)(C)CCC1 36385757 CPLZIACUIYGDOJ-HXUWFJFHSA-N 348.575 4.214 0 3 EIAF Cc1ccc(-c2nc3ccccc3n2[C@H](C)C(=O)NC(C)(C)C)cc1 199229836 BWYAFDIXRZNGND-OAHLLOKOSA-N 335.451 4.487 0 3 EIAF O=C1CCC[C@H]2C[C@H](NCc3ccccc3Cl)CC[C@]23CCCN13 205705633 AQSHZNBBNOIKAZ-SQGPQFPESA-N 346.902 4.143 0 3 EIAF CN1C(=O)[C@@H](n2ccc3ccccc32)c2cc(OC(F)(F)F)ccc21 206028086 RBPMFXNYYVABSY-INIZCTEOSA-N 346.308 4.106 0 3 EIAF CCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21 27320523 NQLPXGPQVKGCPR-UHFFFAOYSA-N 331.419 4.200 0 1 EIAF COc1ccc2nc([C@H](C)Cc3cc4c(cc3Cl)OCO4)[nH]c2c1 40829398 VACYETCMLUVLRU-SNVBAGLBSA-N 344.798 4.300 0 1 EIAF C=CC(=O)NCC[C@H]1C[C@H](c2ccccc2)Cc2ccc(OC)cc21 40949339 IWXZDJPJSBPQPA-RBUKOAKNSA-N 335.447 4.201 0 1 EIAF c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49033631 MSSYXOZHEIUOHK-AWEZNQCLSA-N 333.416 4.405 0 1 EIAF O=C(O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 96938275 BMGRJLPTLYTMFK-UHFFFAOYSA-N 347.399 4.361 0 1 EIAF CCc1cccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)c1 169700507 BPORGSIWKJAQQV-UHFFFAOYSA-N 348.450 4.027 0 1 EIAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](O)c1ccccc1 299831878 OPUOXMIRHWMTEI-KRWDZBQOSA-N 329.783 4.080 0 1 EIAF COc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Cl 586899330 YICQPBVAILNISR-UHFFFAOYSA-N 328.799 4.476 0 1 EIAF Cc1nc(C)c(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 587011042 AOSMCISZSDWJAV-UHFFFAOYSA-N 327.331 4.126 0 1 EIAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)ccc(C)c2[nH]1 587065015 KKXSVCHICWOIBP-UHFFFAOYSA-N 344.798 4.233 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 587069339 IERNFRLZVZSFIE-NSHDSACASA-N 328.799 4.085 0 1 EIAF Clc1c[nH]c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc-2n1 587083707 HHSIFPQZLAZDRS-UHFFFAOYSA-N 342.189 4.340 0 1 EIAF FC(F)(F)CSc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccn1 587092324 DDKRQFCVBXSNOW-UHFFFAOYSA-N 349.341 4.156 0 1 EIAF CC(C)OC(=O)C1(c2nc3cc4ccccc4cc3[nH]2)CC(F)(F)C1 587132003 ZQCLVDNWPQDMDH-UHFFFAOYSA-N 344.361 4.335 0 1 EIAF Fc1ccc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(F)c1 587148651 JJOVJOBSIQEGSR-RQOWECAXSA-N 336.244 4.333 0 1 EIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(CO)cc2[nH]1 587162179 FFFWOUMRPXYILG-UHFFFAOYSA-N 346.361 4.092 0 1 EIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H](C(=O)O)C3 587207674 VANCXPTVUCGLGF-LBPRGKRZSA-N 343.382 4.026 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(-c3ccccc3)noc1C)O2 587395286 PMWODCVSGIAXJN-OAQYLSRUSA-N 348.402 4.421 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(C)cc1O)CC2=O 587489851 PQJZLQRIBONLSB-IBGZPJMESA-N 326.392 4.374 0 1 EIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587936395 KYDCSAXUVBDNIX-SJCJKPOMSA-N 339.439 4.101 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587950836 CZSRPTFNMJRQFN-UVWXRNBGSA-N 328.416 4.191 0 1 EIAF CC(C)=CCC/C(C)=C/c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587967922 NUGKUDWEAPJFRF-SAPNQHFASA-N 338.499 4.464 0 1 EIAF CCN(CC)CCC[C@H](C)N=c1c(F)c[nH]c2cc(Cl)ccc12 653700792 KTLSPOFRYVGDPZ-ZDUSSCGKSA-N 337.870 4.372 0 1 EIAF FC(F)(F)c1ccc(/C=C/CNCC2=CO[C@H]3C=CC=C[C@@H]23)cc1 1772579583 GYXZAGMMDDXFGS-ZFRRBFPSSA-N 333.353 4.333 0 1 EIAF COc1ccccc1C(=O)CC(=O)c1ccc(OCC(C)C)cc1 1857595678 CGPYURBDGOKPRY-UHFFFAOYSA-N 326.392 4.186 0 1 EIAF CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@]2(C)CCC[C@]3(C)C(=O)O[C@@H]1[C@H]32 2356503296 CHMFOVOONHFZLX-JOTVOLILSA-N 344.451 4.206 0 1 EIAF COc1c(C)cc([C@@H](O)c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1C 61905860 BUAQWFPLKCTWOB-QGZVFWFLSA-N 342.826 4.437 0 3 EIAF CCCN1CC[C@@H]2CC(=O)[C@@H](Cc3ccccc3)[C@@H]3CCC[C@H]1[C@@H]23 211061210 XIEJPSCORUYAMF-PTXJCGOLSA-N 325.496 4.335 0 3 EIAF COC(=O)CCc1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1)CCC3 1646198 DQLFKPLUAHTQNN-XMMPIXPASA-N 346.470 4.165 0 1 EIAF Clc1c(Cl)c(Cl)c2nn([C@H]3CCCO3)nc2c1Cl 1648759 CLWJOTIWNHKRSQ-SCSAIBSYSA-N 326.998 4.354 0 1 EIAF COc1ccc(-c2[nH]nc(C)c2-c2ccc(Cl)cc2)c(O)c1OC 13127604 KLTARYXREWEAKN-UHFFFAOYSA-N 344.798 4.428 0 1 EIAF COc1c2ccoc2nc2c(OCC=C(C)C)c3c(cc12)OCO3 13282229 YFRPSLMDAOYKNS-UHFFFAOYSA-N 327.336 4.063 0 1 EIAF biogenic O=C(CC1CCN(CC2CC2)CC1)c1ccc(C(F)(F)F)cc1 13729921 VIXLSHKIMQOVRG-UHFFFAOYSA-N 325.374 4.400 0 1 EIAF CSc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 13743206 JUAPNOVWMSUYMJ-UHFFFAOYSA-N 347.447 4.150 0 1 EIAF CC(C)c1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28769531 ODWZNBOTFNAHQY-SCFJZMLDSA-N 345.389 4.322 0 1 EIAF O=c1ccc2cc(NC(=S)Nc3ccc(Cl)cc3)ccc2o1 40974253 XBRFBUOEZQUICC-UHFFFAOYSA-N 330.796 4.255 0 1 EIAF O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc(Cl)ccc1N2 45484315 SFNCPTSLJMQTTI-HNNXBMFYSA-N 332.186 4.362 0 1 EIAF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccc(Br)cc1)C2 60392605 OCZYOBSPQBRVCJ-UJINQUNPSA-N 349.272 4.381 0 1 EIAF CCN(CC)CCOc1ccc2c3c(nccc13)-c1ccccc1C2=O 71341519 CNPWXPJDNUFTRA-UHFFFAOYSA-N 346.430 4.167 0 1 EIAF Oc1ccc(-c2cc3c(NCc4ccccc4F)ncnc3[nH]2)cc1 73196656 ISJAQPZCEZACPS-UHFFFAOYSA-N 334.354 4.082 0 1 EIAF COc1ccc(-c2ccnc(NCc3ccc(Cl)cc3)n2)cc1 96271442 KIUXCHKRJQPHFK-UHFFFAOYSA-N 325.799 4.418 0 1 EIAF Cc1ccc(CN2[C@@H]3CC[C@@H]2CC(Nc2ccc4[nH]ncc4c2)C3)cc1 100617026 CUJPUWSIKWTBRS-NHCUHLMSSA-N 346.478 4.479 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 101276810 NYBGTVSENFSZOR-NHCUHLMSSA-N 349.474 4.320 0 1 EIAF O=C1[C@@H]([C@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 103271876 HXWLZAJEWVRWDC-FGZHOGPDSA-N 345.442 4.312 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O 137522910 GMCXIFIKPROBFX-ZOJTVGBFSA-N 346.467 4.066 0 1 EIAF Cc1ccc(Oc2cn(C)c(COc3ccccc3)cc2=O)c(C)c1 141808846 INUQQQAHCVGAMJ-UHFFFAOYSA-N 335.403 4.373 0 1 EIAF Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CCN(C)CC1 169304602 SAUJRKOJYBJLSN-UHFFFAOYSA-N 338.499 4.329 0 1 EIAF CCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1 299819280 ANOCVSOKXOZZMJ-UHFFFAOYSA-N 339.483 4.351 0 1 EIAF N[C@@H](c1ccsc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587024883 GKFORTNDZUAISH-SFHVURJKSA-N 335.432 4.252 0 1 EIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c[nH]c(=N)cc4[nH]3)c21 587030716 KERUQZPXVIQIGU-LLVKDONJSA-N 349.463 4.329 0 1 EIAF Brc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2n1 587044073 YOYLLMIOOXHIEO-NSHDSACASA-N 332.226 4.110 0 1 EIAF Cc1c(Br)cc2nc(C(F)(F)C(F)F)[nH]c2c1C 587089045 IEUGLBREJBXNJD-UHFFFAOYSA-N 325.103 4.299 0 1 EIAF Oc1c(F)cc(F)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587134974 YQCHVSYIDQIZKU-UHFFFAOYSA-N 330.212 4.112 0 1 EIAF Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144608 ONZSBTKBCPOILU-ZDUSSCGKSA-N 348.219 4.015 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3cc(Cl)c(F)cc3[nH]2)c1C 587239760 WOIJNQTUBKINFA-UHFFFAOYSA-N 331.778 4.153 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cc(N)ccc21 587392333 XYMSVOJFPKRDGU-QFIPXVFZSA-N 342.398 4.049 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(C)C)c(C)c1)O2 587398895 GIWLMSZHUXAAGQ-LJQANCHMSA-N 325.408 4.379 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)nc1)CC2=O 587462503 QQAPPWDLTKOKMT-GOSISDBHSA-N 331.799 4.274 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](COc1ccc(C)cc1)CC2=O 587477745 GLBCRXGNXDYHTI-HNNXBMFYSA-N 326.392 4.066 0 1 EIAF O=C1C[C@@H](c2c[nH]c3nc(F)ccc23)Oc2c1ccc1c2CCCC1 587507625 NOCLVCJIPYAURA-KRWDZBQOSA-N 336.366 4.287 0 1 EIAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)cncc4[nH]3)cc2)c1 587930621 KOAWRHAFYKTAKY-UHFFFAOYSA-N 343.386 4.173 0 1 EIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C)nc3[nH]2)cc1 587937185 NZCVDLVYCHKYFZ-IBGZPJMESA-N 329.403 4.455 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(C)c(F)c1F 963056209 LIDVZSBVCFDAAS-FQEVSTJZSA-N 340.373 4.065 0 1 EIAF COc1ccc(COc2ccccc2-c2nc3cccnc3o2)cc1 1772627551 XFTNDLPTIOYKHO-UHFFFAOYSA-N 332.359 4.477 0 1 EIAF CC(C)=CCc1cc2c(cc1O)OC[C@H](c1ccc(O)cc1O)C2 14819419 VQAHBCDRILEHTM-OAHLLOKOSA-N 326.392 4.031 0 1 EIAF biogenic COc1cc(C[C@H](O)c2ccc3ccccc3c2)cc(OC)c1OC 26393269 KAFVEABCNHVTKW-SFHVURJKSA-N 338.403 4.142 0 1 EIAF COc1cccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)c1 26570477 IUBJMZDJKIYGNR-UXHICEINSA-N 348.446 4.248 0 1 EIAF CC[C@H](N)COc1nc(-c2cccs2)cc(-c2cccs2)n1 28524150 TWCNVEUVIYSIGS-NSHDSACASA-N 331.466 4.050 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@H](CC[C@H]12)C3 28641865 HCXQUFPQHLFUCK-VVIZTZINSA-N 334.500 4.181 0 1 EIAF COc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1 28898048 JHJMURQPZHRFJM-UHFFFAOYSA-N 334.206 4.309 0 1 EIAF Cc1ccc2ncn(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c2c1 34007363 SPRLEGSJOWVUCP-HNNXBMFYSA-N 329.407 4.297 0 1 EIAF COc1cc2c(c3c1[C@H](O)C[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 59727684 REBMVOUERBNGPI-CVEARBPZSA-N 338.403 4.437 0 1 EIAF Clc1cnc2nc1NCc1cccc(c1)OCc1cccc(c1)N2 142431720 PKOKZOVQUJMMJL-UHFFFAOYSA-N 338.798 4.378 0 1 EIAF FC(F)(F)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025799 RGDUJKDLUNKLJK-UHFFFAOYSA-N 348.400 4.014 0 1 EIAF COc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Cl 587036804 NWEVORFMOZOVLQ-AWEZNQCLSA-N 334.828 4.143 0 1 EIAF Fc1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1-n1cccn1 587044018 XBQGJRXPIQUZHX-QGZVFWFLSA-N 336.395 4.277 0 1 EIAF Cc1ccnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 587133967 GQJLSLDACMZRFX-IHWYPQMZSA-N 325.240 4.132 0 1 EIAF Oc1c(Br)cccc1-c1cc2c3c(cccc3n1)CC2 587208156 MHURFAJBMIPUDM-UHFFFAOYSA-N 326.193 4.469 0 1 EIAF Cc1cccc(NC(=O)Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1C 587239609 UHAYGURNBKTMHR-UHFFFAOYSA-N 349.221 4.063 0 1 EIAF O=C1c2ccc(O)cc2OC2(CC(F)(F)C2)[C@@H]1c1ccc(F)cc1 587332710 MFJIRQGSHKXNCD-OAHLLOKOSA-N 334.293 4.058 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(s1)CCCC3)O2 587415907 YXQZXUXRVZVWJF-LJQANCHMSA-N 327.449 4.398 0 1 EIAF COc1cc2c3c(c1)O[C@H](c1ccc([C@H]4CCCO4)s1)[C@@H](C2)C3=O 587453206 WAEOHCYWGFFKHP-QUJCMNEKSA-N 342.416 4.097 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(O)c1F)CC2=O 587467086 QGFHZYAPTJNQMZ-HNNXBMFYSA-N 334.318 4.035 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(OC)ccc31)CC2=O 587476151 DNHCKJDXNFNPLC-OAQYLSRUSA-N 338.403 4.160 0 1 EIAF Cc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876452 PARHFFFQTWRHQI-UHFFFAOYSA-N 325.368 4.348 0 1 EIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Cl)nc2[nH]1 587928210 YDJCDKSIBYITAD-NSHDSACASA-N 331.803 4.170 0 1 EIAF CCC[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C 587955301 MUXILRBIFLYBAX-LLVKDONJSA-N 348.390 4.396 0 1 EIAF Cc1ccccc1C(C)(C)c1nc2c(F)cnc(Br)c2[nH]1 587956196 ZRXJXCOLAFTHQD-UHFFFAOYSA-N 348.219 4.494 0 1 EIAF CCC[C@H]1CN(C)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962705198 KLGQCYMPEUGBAT-JXFKEZNVSA-N 344.524 4.347 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C(C)(C)c1ccccc1 963641870 YALPQGVQFKQVGI-XOBRGWDASA-N 325.452 4.257 0 1 EIAF CN(C)Cc1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61908162 YRZNZLKNDNYLAS-UHFFFAOYSA-N 337.448 4.179 0 3 EIAF Cc1ccc2nc(-c3ccncc3)c(Nc3ccc4c(c3)OCO4)n2c1 2468870 VAZMNRJGTZFCFM-UHFFFAOYSA-N 344.374 4.177 0 1 EIAF CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 3815140 KFBKCZIAECRELC-UHFFFAOYSA-N 329.201 4.178 0 1 EIAF Cc1cccc2[nH]cc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c12 13488809 ZBBKSSFBAYHGKM-KUHUBIRLSA-N 342.870 4.384 0 1 EIAF CCCCCNC1=NCCN1OCc1ccc(-c2ccccc2)cc1 13539100 PPMCIVADQGHWNR-UHFFFAOYSA-N 337.467 4.237 0 1 EIAF C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@@H]3CCCC[C@@H]3C[C@H]3C(=O)O[C@H](C)[C@H]23)N1C 14439465 FMPNFDSPHNUFOS-QYGHQUJJSA-N 345.527 4.419 0 1 EIAF Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)CC1 28641816 DFFICBZDZPABBA-UHFFFAOYSA-N 340.858 4.293 0 1 EIAF C[C@H](CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 34412298 HZTFDAHJXDLITP-ZDUSSCGKSA-N 342.826 4.391 0 1 EIAF O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)[C@@H]1c1ccc(O)cc1 43196199 LGIBDQRYOFBMTC-SFHVURJKSA-N 341.370 4.020 0 1 EIAF in-vivo c1ccc2c(c1)c1ccccc1n2Cc1ccc(Cn2cncn2)cc1 49020528 XKOOFVJFLDNOFO-UHFFFAOYSA-N 338.414 4.483 0 1 EIAF Cc1ccc([S@](=N)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1C 78816138 WJOVDEDJRURDMX-JOCHJYFZSA-N 337.832 4.099 0 1 EIAF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3ccccc3F)[C@@H]2CC1 96939115 OXZJQFNEZSBRKQ-BRKBYSJDSA-N 342.410 4.022 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCC[C@H](c2ccccc2)C1 169704887 WKQXTHBIRKOSOW-JKSUJKDBSA-N 334.423 4.411 0 1 EIAF C/C(=C/CO)CC/C=C(\C)CC/C=C(/CC/C=C(\C)CO)C(=O)O 238770160 OBXCDFNUWPCTJI-XPGDMRNMSA-N 336.472 4.162 0 1 EIAF COc1c(C(=O)CCc2ccccc2)c(OC)c2ccoc2c1OC 238779197 AENZNDXAPHOSHW-UHFFFAOYSA-N 340.375 4.274 0 1 EIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCCC3)c2cn1)c1ccccc1 261178312 VKPJQQHVWUIRGD-CYBMUJFWSA-N 349.438 4.498 0 1 EIAF NCc1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1 584593756 CFIDHIDGDXATPD-UHFFFAOYSA-N 347.414 4.018 0 1 EIAF CC[C@@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1 586889594 MHUZOLAJWQDDGD-SDBXPKJASA-N 326.181 4.071 0 1 EIAF Cc1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)oc2c1[C@@H](O)CCC2 586905136 HJAZQVBKYPSKLS-QMMMGPOBSA-N 338.194 4.203 0 1 EIAF Cc1cccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587123996 KDFUDXBQRXDXJL-BXKDBHETSA-N 335.333 4.042 0 1 EIAF CN(C)CCOc1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587174248 HVXLVQCICCDGQI-UHFFFAOYSA-N 339.370 4.056 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3ccncc13)O2 587379126 SRQUMEQZOCPJMK-KRWDZBQOSA-N 338.794 4.485 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](c3ccc(F)cc3)C1)O2 587384313 JSNZPFJQPUCFQN-VBKZILBWSA-N 325.383 4.388 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C[C@@H]1c1ccc(F)cc1)O2 587385090 RCSKKJIYYHOZRR-PTSWNOGYSA-N 325.383 4.244 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c4ccccc4c31)O2 587395744 HGYDJXJTCGDNSG-OAQYLSRUSA-N 332.403 4.256 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OC)C1(CC)CC 587485049 YDXYSJKOCJAXBU-PXNSSMCTSA-N 332.440 4.274 0 1 EIAF C[C@@]1(c2ccc(C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529014 HTTNMJIVCWFVFB-NRFANRHFSA-N 336.387 4.144 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600350 AVXORLYZTUIWGT-NQIIRXRSSA-N 332.355 4.404 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccn2)N1 587774748 XHZBUAWJPABDCC-XHDPSFHLSA-N 349.247 4.191 0 1 EIAF Cc1cncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587775846 UIYOFYXDVFXCPY-BMLIUANNSA-N 349.247 4.224 0 1 EIAF COc1ccc(/C=C/Cc2nc3cnc4ccccc4c3[nH]2)c(OC)c1 587930313 SYWGHDNRVJLHEJ-AATRIKPKSA-N 345.402 4.384 0 1 EIAF Cc1cccc(Cn2ccc(-c3ccc(-c4cccnc4)cc3)n2)n1 621430822 RQLGGHOSEFCSPC-UHFFFAOYSA-N 326.403 4.364 0 1 EIAF C[C@@H]1[C@@H](NC(=O)c2cc3c(F)cc(F)cc3[nH]2)C[C@H]2C[C@@H]1C2(C)C 1772631769 NMADHXLLWGXXLW-FJHTZYQYSA-N 332.394 4.247 0 1 EIAF CCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 13584052 KUQSLKFHJSNKER-PVHGPHFFSA-N 330.468 4.398 0 1 EIAF O=C1C[C@H](CN2CCC(Cc3ccccc3)CC2)Cc2ccccc21 13607204 RCLSGLJLLLRQJL-HXUWFJFHSA-N 333.475 4.386 0 1 EIAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1CC2 15045532 QOCOQHXHEBGZNB-KPOBHBOGSA-N 332.440 4.316 0 1 EIAF biogenic CN(C)c1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 72170837 JUGZBGZYQQSZMB-UHFFFAOYSA-N 344.208 4.492 0 1 EIAF Cn1c(-c2ccnc(Nc3ccc(Cl)cc3)n2)nc2ccccc21 84726036 MLYOBUVJVMVCCI-UHFFFAOYSA-N 335.798 4.427 0 1 EIAF CC[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1 95553054 HSDJKXKQVVQRKG-SFTDATJTSA-N 325.452 4.235 0 1 EIAF COc1ccc2c(c1)C(=O)CCN2c1nc(Cl)nc2ccccc12 103250699 VFZIKGSBJHUGBA-UHFFFAOYSA-N 339.782 4.016 0 1 EIAF CCCCNc1cc([C@H](O)C[C@@H]2CCCCN2)c2ccccc2n1 169334902 UCRYWDNWWGAQFH-HNAYVOBHSA-N 327.472 4.012 0 1 EIAF C[C@H]([C@H]1C[C@@H]2CC[C@H]1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N 169688143 DMZIRWOKFVEFRU-YIYPIFLZSA-N 336.439 4.316 0 1 EIAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccccc2C)N3C)cc1 202973112 SUEIJSZDTKIXCI-JBPLPALLSA-N 349.474 4.475 0 1 EIAF CC(C)=CCC/C(C)=C/Cc1c(O)c2c(CO)cccc2oc1=O 238778057 QXEJTIKYDZWZFU-GXDHUFHOSA-N 328.408 4.226 0 1 EIAF Clc1ccc(CN(CC2CNC2)C2CCCCC2)cc1Cl 299825733 JPHAIBIWRGTSEQ-UHFFFAOYSA-N 327.299 4.348 0 1 EIAF Cc1c(F)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005126 OGXYEHGSMDKYQO-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(Cl)ncnc2[nH]1 587012993 XJRATTAHXVDNCG-UHFFFAOYSA-N 341.827 4.029 0 1 EIAF O=C1CCc2cc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3cc2N1 587084895 IRMJCOMBDVHORC-UHFFFAOYSA-N 348.793 4.316 0 1 EIAF Cc1cc(Br)c(-c2nc3cccc(C(=O)O)c3[nH]2)cc1F 587137923 SKXBLCVLOMLTER-UHFFFAOYSA-N 349.159 4.138 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1C)O2 587391492 RQERMJRSOMZQKD-HXUWFJFHSA-N 332.403 4.383 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CC(C)=O)CC2=O 587476851 BNFKOIXEWWYHIB-XOBRGWDASA-N 330.424 4.218 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3cc(C)ccn13)CC2=O 587489363 LHAGPIGMPMLCET-SFHVURJKSA-N 336.391 4.007 0 1 EIAF O=C1C[C@H](c2cc(F)c(F)cc2O)Oc2c1ccc1c2CCCC1 587504343 IMIOINIGLFQACE-GOSISDBHSA-N 330.330 4.256 0 1 EIAF C[C@@]1(c2cn3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 587515449 NXOVAQLWUUFMSL-NRFANRHFSA-N 332.403 4.094 0 1 EIAF Cc1[nH]c2ncccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522937 GBOFRQRRVRPCRJ-SFHVURJKSA-N 332.403 4.457 0 1 EIAF CC(C)(CC(=O)O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528923 GTGCRLCSDOWIGL-FQEVSTJZSA-N 330.424 4.180 0 1 EIAF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)cc1 587635594 OEZSNZZKFLQSHQ-UHFFFAOYSA-N 340.354 4.044 0 1 EIAF CCOC1=C[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587799147 ANUILMASIKIHBH-QLJPJBMISA-N 340.236 4.032 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1Cl 587870591 DUDGLKCCBHIGHB-UHFFFAOYSA-N 344.773 4.430 0 1 EIAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1 587952977 YMLUIBPVARSCKZ-ZBOXLXRLSA-N 340.826 4.433 0 1 EIAF CN1C(=O)C[C@H]2CN[C@@H](c3ccccc3-c3ccco3)c3cccc1c32 963017571 CYAFQBDURCOGEP-FPTDNZKUSA-N 344.414 4.089 0 1 EIAF O[C@@H](CNCCCCc1ccccc1)c1ccc(Br)cc1 1857654822 UTUJRKAFRKWGSM-SFHVURJKSA-N 348.284 4.095 0 1 EIAF CC=CCC[C@H]1OC(=O)c2c(O)c(CC=C(C)C)cc(O)c2[C@H]1OC 2356800728 RDVSMDUHDAFGOJ-BEFAXECRSA-N 346.423 4.189 0 1 EIAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1 3814646 XIBHRRPDZXYFCM-UHFFFAOYSA-N 334.387 4.463 0 1 EIAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)O 13166006 ZKTQJMLALXDVCN-JXMROGBWSA-N 335.281 4.056 0 1 EIAF O[C@@H](CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 13729978 QIPBXVRXNZAEGP-NRFANRHFSA-N 327.443 4.204 0 1 EIAF C[C@@H](O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26389595 YNZAQRSPHOQQKX-SLVDNQHTSA-N 347.543 4.093 0 1 EIAF c1ccc2c(CCO[C@H]3CCCC[C@H]3N3CCOCC3)cccc2c1 34096561 JQQLXARPNNPHPC-YADHBBJMSA-N 339.479 4.042 0 1 EIAF C[C@@]12C=C[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 40791346 RJIGSELQVNWJCP-CHBSCGLWSA-N 338.447 4.146 0 1 EIAF Cc1ccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)cc1 72101461 FUMCGDZTNFEFCB-FQEVSTJZSA-N 347.462 4.014 0 1 EIAF COc1ccc(-c2nnc(SCc3ccc(C)cc3)o2)c(O)c1 84633546 DFHWQXALNYFAAT-UHFFFAOYSA-N 328.393 4.052 0 1 EIAF COc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Cl 586890541 QOQNUEVLIHJBRQ-APPDUMDISA-N 330.815 4.370 0 1 EIAF Oc1cccc(CCCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586896296 ORIGXZOGMHJLSD-UHFFFAOYSA-N 346.333 4.155 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCCOc1ccccc1)O2 587398516 DUSCHTOQEMCYOE-MRXNPFEDSA-N 325.408 4.160 0 1 EIAF COc1cc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587399883 NEWUMXZBSFFLGF-FQEVSTJZSA-N 325.408 4.083 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1ccc(C)cc1)[C@@H](C2)C3=O 587446968 JEOPANCKFAFZDM-KGVIQGDOSA-N 334.415 4.458 0 1 EIAF O=N[C@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587502932 GPDIICIJHXVOHU-PZJWPPBQSA-N 333.387 4.117 0 1 EIAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600815 BPPXASWYZOCJNQ-JLNDTVFGSA-N 348.398 4.159 0 1 EIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccnc1 587623300 FCPOASSENCJASG-UHFFFAOYSA-N 327.185 4.177 0 1 EIAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)(F)F 587624613 PRYNROGLTNXEPE-UHFFFAOYSA-N 333.693 4.051 0 1 EIAF O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2ccc(F)c(Cl)c12 587628765 PFCLARAFVLFJAC-UHFFFAOYSA-N 339.153 4.303 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccncc2)N1 587779735 VMEJHOUGDVCAJX-FLGZYGNKSA-N 347.231 4.272 0 1 EIAF CSC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587843172 HHPBJLMESXSOLW-OQPBUACISA-N 330.266 4.059 0 1 EIAF COc1ccc(C[C@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC 587926715 NUVRTZWSQVGYMT-JTQLQIEISA-N 345.830 4.283 0 1 EIAF CCC[C@]1(c2ccsc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963613110 UATYHNQXNQXFHL-BFUOFWGJSA-N 331.481 4.343 0 1 EIAF CCN(Cc1ccncc1)C(=O)Cn1c2ccccc2c2ccccc21 1857560306 LCFCFGOQUREVSN-UHFFFAOYSA-N 343.430 4.238 0 1 EIAF Brc1ccc(-c2nnc(-c3ccc4nc[nH]c4c3)o2)cc1 1911574985 VLRVXXYKLWNJNR-UHFFFAOYSA-N 341.168 4.042 0 1 EIAF O=c1cc(-c2ccccc2Cl)oc2c(N3CCCC3)ccc(O)c12 28639859 RBPZJBNYCBTWSZ-UHFFFAOYSA-N 341.794 4.419 0 1 EIAF CC(C)c1cccc(C(C)C)c1N1CN[C@H](Cc2ccccc2)C1=O 34803557 LHTPEMLCJRSRNU-HXUWFJFHSA-N 336.479 4.438 0 1 EIAF Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c2ccccc12 40873763 UVRJXHGTVBSXBO-UHFFFAOYSA-N 342.402 4.290 0 1 EIAF CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(F)cc4)cc3)CN2C=C1 43120850 ASEIDBRACHWYII-IBGZPJMESA-N 346.405 4.479 0 1 EIAF CCN(CC)Cc1ccc(OC(=O)Cc2c[nH]c3ccccc23)cc1 96914955 YPDRGNNZSFTDQE-UHFFFAOYSA-N 336.435 4.158 0 1 EIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 169309316 WGPZAVZHAGYUOL-KFYPDWBNSA-N 331.500 4.055 0 1 EIAF CCC(CC)OC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 169372297 SSMWNQCHCRSYNE-OJAHFUOMSA-N 329.484 4.293 0 1 EIAF Oc1c2c(c(O)n1-c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[C@@H]2O1 169727187 FXVDOJULZSNMCT-AOOOYVTPSA-N 345.704 4.467 0 1 EIAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@@H]1[C@]23C 238775269 PFLSRYIOOFGEGE-WORNGAQOSA-N 330.424 4.126 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586911921 MZEBNOJWXPAIAP-VQIMIIECSA-N 334.419 4.467 0 1 EIAF Nc1ccc(-c2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)cc1N 587023085 JPWBHIFKKAOYLG-UHFFFAOYSA-N 341.827 4.171 0 1 EIAF O=C(O)c1cc(Br)cc2nc(/C=C/c3ccsc3)[nH]c12 587026018 QPUQZQNQOOWORU-OWOJBTEDSA-N 349.209 4.256 0 1 EIAF O=C(NCc1nc2cc3ccccc3cc2[nH]1)c1cc2c(s1)CCC2 587035108 OFCCRTGOCFBJKC-UHFFFAOYSA-N 347.443 4.196 0 1 EIAF Oc1nc2cc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3cc2[nH]1 587052781 MKPHKVUAGWHFRT-UHFFFAOYSA-N 349.781 4.256 0 1 EIAF CCc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587116725 ABJFDYPMQVIOIA-UHFFFAOYSA-N 334.345 4.266 0 1 EIAF COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)nn1-c1ccccc1F 587156426 NNIRDCZDGADHLF-UHFFFAOYSA-N 336.370 4.180 0 1 EIAF Cc1c(Cl)ccc2nc(-c3cc(Br)cnc3F)[nH]c12 587177925 HFIAQDNIVFOUER-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF Nc1cc(-c2nc3cncc(Br)c3[nH]2)c2ccccc2c1 587251660 KHSHMYFRMBGBLI-UHFFFAOYSA-N 339.196 4.123 0 1 EIAF C[C@@]1(c2cc[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344372 GPSONZCFGOUCTP-QUCCMNQESA-N 337.350 4.134 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(F)c(F)c1F)O2 587383048 XAUFFRWXENYOMG-QGZVFWFLSA-N 339.288 4.014 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(C)c1Cl)[C@@H](C2)C3=O 587424712 STBVHVBBLUNPDA-HXPMCKFVSA-N 346.785 4.459 0 1 EIAF CC(C)C[C@@]1([C@H]2CCCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523301 HVNZSMHKKIAULP-JTSKRJEESA-N 341.495 4.315 0 1 EIAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)c(F)c1 1772598952 SQAPZDOWYXOQFC-HWKANZROSA-N 341.426 4.305 0 1 EIAF CC1(C)CC(=[N+]2CCCC2)C=CN1Cc1ccccc1C(F)(F)F 1857538611 GWJYQYISBRETAF-UHFFFAOYSA-N 337.409 4.451 0 1 EIAF CCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2C)CC1 1857749810 CCWNGPDJDFJTDP-UHFFFAOYSA-N 331.463 4.352 0 1 EIAF C[C@H]1CCc2c(C(=O)NCCCN3[C@@H](C)CCC[C@H]3C)csc2C1 9833698 SSDAVWGNVXMOGB-HRCADAONSA-N 348.556 4.256 0 1 EIAF O[C@H](CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1 13611975 PZKBHWSXUXCHCR-GOSISDBHSA-N 337.423 4.358 0 1 EIAF CCOc1cc2c(cc1O)C(=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26490938 MWMQARHZUCGXAL-HWTIIBCKSA-N 344.451 4.038 0 1 EIAF OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1 28817151 RANYWKODIKNHDB-UHFFFAOYSA-N 333.431 4.353 0 1 EIAF in-vivo COc1ccc(-c2cnc(N[C@H](C)c3ccccc3)n2C)cc1OC 29331933 VQGZEEAMLOOAHR-CQSZACIVSA-N 337.423 4.277 0 1 EIAF O=C(O)C[C@@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1 45348930 ZSHXWEIQLMBKTH-FQEVSTJZSA-N 335.447 4.448 0 1 EIAF O=C(CSc1nccc(-c2ccco2)n1)c1ccc(Cl)cc1 103420043 IFCODXDLKPAXCT-UHFFFAOYSA-N 330.796 4.365 0 1 EIAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc4[nH]ccc4c3)cc21 205098206 WPQDXFYYXQVPRI-UHFFFAOYSA-N 328.375 4.046 0 1 EIAF Brc1nccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586884768 IUYJDDKPFHZCJX-SJCJKPOMSA-N 340.224 4.092 0 1 EIAF CCCOc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br 586901505 QYGUHOLZNLLAFE-ZDUSSCGKSA-N 341.249 4.194 0 1 EIAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587028753 VFHYTTCZBSGFGH-UHFFFAOYSA-N 333.779 4.177 0 1 EIAF Cc1ccc(C)c2[nH]c(C(F)(Br)Br)nc12 587086578 DMFNARFQXHNRQZ-UHFFFAOYSA-N 336.002 4.049 0 1 EIAF Cc1ccc2c3c(cc([C@H]4CCCNC4)nc13)-c1ccccc1C2=O 587095831 BEKWJQPCJBQOTE-AWEZNQCLSA-N 328.415 4.222 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O 587453207 WAEOHCYWGFFKHP-WTOJCKNJSA-N 342.416 4.097 0 1 EIAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(C(C)(C)C)CC2=O 587471100 ZENMSWXUJQJHLO-DUQGCJEPSA-N 331.456 4.170 0 1 EIAF Cc1cccc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n12 587515088 KYDRTLJVAJTFNH-IBGZPJMESA-N 332.403 4.228 0 1 EIAF Cc1ccc(O)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612474 WCSSDWHBJOVSHT-WIYYLYMNSA-N 348.354 4.109 0 1 EIAF CCOC(=O)Cc1c(-c2ccccn2)[nH]c2ccc(F)c(Cl)c12 587632400 WGFKEHMUOGSRHI-UHFFFAOYSA-N 332.762 4.128 0 1 EIAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)cc1 587637864 PVNJNXPOOLMXNE-UHFFFAOYSA-N 329.302 4.289 0 1 EIAF Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 587655848 BVAVQJCFOJCSPR-UHFFFAOYSA-N 349.340 4.034 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(F)(F)F)N1 587709194 JFKQBNGZIVKTTM-HZGVNTEJSA-N 326.131 4.116 0 1 EIAF Cc1c[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587790895 JZSIYHOMNVEYQV-ABKXIKBNSA-N 337.236 4.157 0 1 EIAF C[C@@H](O)CCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834515 SBNHGKTZHXJYPE-GLKRBJQHSA-N 344.268 4.105 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCSC2)N1 587854035 BBNRFYDOYACBEZ-OSQNNJELSA-N 344.293 4.307 0 1 EIAF COc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1F 587932809 ZPDRUJBFOAAAOC-CWTRNNRKSA-N 326.371 4.164 0 1 EIAF COc1ccc(C2(c3nc4ccc(CO)cc4[nH]3)CC3(CCC3)C2)cc1 587934500 BNBQMEGHXRQICI-UHFFFAOYSA-N 348.446 4.314 0 1 EIAF Cc1cccc(CC[C@@]2(C3CCC3)NCCc3nc4ccccn4c32)c1 962988423 NYLCLBXHRGMZCH-QHCPKHFHSA-N 345.490 4.417 0 1 EIAF O=C(O)CCc1ccc(OCCCOc2cccc(Cl)c2)cc1 1857538738 VELGAFISWIHNGG-UHFFFAOYSA-N 334.799 4.205 0 1 EIAF CCOC(=O)c1c([C@@H]2COC3(CCCCC3)O2)cc(C2CC2)nc1C 1857592621 OBQPZAKCJDXABL-KRWDZBQOSA-N 345.439 4.192 0 1 EIAF CN[C@H]1CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@]24CN(C)C[C@@H]2CC[C@@H]34)C1 2356449174 DIIHAKZLRXAZIT-DETDNOOFSA-N 342.571 4.469 0 1 EIAF CO[C@@H]1CCC(=O)[C@H](C)[C@]12CCC[C@@H]1[C@@H]2CC[C@@H]2C[C@H](O)CC[C@@]21C 263591003 XWOZYZGXGDQFHL-VDZYWEGJSA-N 348.527 4.364 0 3 EIAF CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)O 13441122 GYBOIDMCHWKXRL-UHFFFAOYSA-N 331.371 4.328 0 1 EIAF COc1cc2cc(c1OC)-c1cc(ccc1O)CCC(=O)CCCC2 14611809 UCIYWYZLILBGOL-UHFFFAOYSA-N 340.419 4.305 0 1 EIAF endogenous,in-man CC(=O)C1=C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@](O)(CCc2ccoc2)O1 15251101 WSSCNWKOTDHBCG-MISYRCLQSA-N 332.440 4.237 0 1 EIAF biogenic Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1 16052768 FOHZGCHKLPIBBX-UHFFFAOYSA-N 347.418 4.160 0 1 EIAF in-vivo Nc1nc2c(s1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2 25982556 QBCZSENZRIKCCC-UHFFFAOYSA-N 325.824 4.397 0 1 EIAF COc1cccc2c1CCC[C@@H]2CN(C)CCc1cccc(F)c1 28528331 KXIJTDNPSISYKD-QGZVFWFLSA-N 327.443 4.429 0 1 EIAF CN1C[C@H](CSc2ccccn2)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 29321754 FQTIRZGRPVLRMG-SPYBWZPUSA-N 349.503 4.100 0 1 EIAF CCCn1ccc2cc(OCCc3cccnc3)cc(Cl)c2c1=O 66076560 NPYGILVUMMFLLC-UHFFFAOYSA-N 342.826 4.081 0 1 EIAF COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12 73156543 ASGYMMSFTYPPJZ-UHFFFAOYSA-N 336.370 4.017 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCCO1 98082916 OHOUPBLLXCZHSW-ROVFHEEESA-N 331.500 4.057 0 1 EIAF CCCCN(C)CCCn1cnc2c3cc(Cl)ccc3nc-2c1O 103591719 MPPIOQAXNQFIAU-UHFFFAOYSA-N 346.862 4.017 0 1 EIAF O=C(NO)c1cccc(-c2csc(CSc3ccccc3)n2)c1 211893127 KWDXMPXINALNFB-UHFFFAOYSA-N 342.445 4.221 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@@H](/C=C\c1ccccc1)C2 254046208 ODBOCRLDKFDGTG-HHPHHPJUSA-N 336.431 4.046 0 1 EIAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(C=O)cc4)coc23)O1 299840037 UZUXRKGTUGULGQ-UHFFFAOYSA-N 332.355 4.457 0 1 EIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccnc3[nH]2)c1 586880923 DCRVVBZELZJXAL-UHFFFAOYSA-N 327.387 4.473 0 1 EIAF CC[C@@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1 586892777 WHYGUNXBPDJUIK-ZANVPECISA-N 326.181 4.071 0 1 EIAF Cc1c(Br)ccc2nc([C@@H](C)Sc3ncccn3)[nH]c12 586962142 ORFOFYMVRVCQLI-SECBINFHSA-N 349.257 4.277 0 1 EIAF Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1C 587002482 GRPCXGMXCLTAAX-UHFFFAOYSA-N 341.212 4.486 0 1 EIAF FC(F)(F)c1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 587109177 YXRBAUNJUUDDKR-UHFFFAOYSA-N 348.324 4.334 0 1 EIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnccc3[nH]2)c1 587195043 AFGZCEUSZCTYJW-UHFFFAOYSA-N 338.411 4.305 0 1 EIAF CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(C)cc1 587206551 NNIITQURAGFCOH-HNNXBMFYSA-N 345.805 4.084 0 1 EIAF COC(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cn1 587244695 IMYKHVGVEJEZFY-UHFFFAOYSA-N 337.166 4.110 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1c1ccccc1n3C)O2 587391670 TUWZSCMWBGMNMY-JOCHJYFZSA-N 346.430 4.266 0 1 EIAF CCc1ccc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587401318 WDWIVPWXKCTPLS-HXUWFJFHSA-N 325.408 4.029 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(F)cc1F)CC2=O 587465728 HHXCCGMPRAXADO-ZDUSSCGKSA-N 332.346 4.199 0 1 EIAF CC(C)Nc1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650303 JFHOOQYWQFXDFZ-UHFFFAOYSA-N 328.437 4.059 0 1 EIAF Cc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774733 XFKXVTZBBBYEOZ-APPDUMDISA-N 349.247 4.089 0 1 EIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc[nH]c32)N1 587802560 MYAKGTSZVCHKNG-BTDLBPIBSA-N 349.247 4.030 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587932282 RVKDIVZXZCAXBQ-JTQLQIEISA-N 335.329 4.332 0 1 EIAF O=S1(=O)C=Cc2cccc(Nc3ccc(C(F)(F)F)cc3)c21 1772584139 QTHVXQJMHQSZEV-UHFFFAOYSA-N 325.311 4.207 0 1 EIAF CC=Cc1cc(C)ccc1[C@H](C)[C@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1 2356347747 YGJPBGVCODIPCC-AGKSTNPPSA-N 342.435 4.263 0 1 EIAF CC1=CCC[C@H]2[C@@](C)(CCC3=CCOC3=O)[C@H](C)CC[C@]12C(=O)O 2356517839 VZBIAQHLXQZJGZ-GODCRWGESA-N 332.440 4.113 0 1 EIAF CC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3955939 ROUXOLIBBLTPRH-HSZRJFAPSA-N 348.490 4.110 0 1 EIAF C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2cc(O)c(Br)cc2O1 13430767 RPOGCBIGULLXEB-XJKSGUPXSA-N 339.229 4.036 0 1 EIAF biogenic COc1ccc(C(=O)O[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684590 CYRIGJVBFJYAQD-SFHVURJKSA-N 347.842 4.198 0 1 EIAF CNC(=O)[C@]1(C(F)(F)F)C[C@H](CCC2CCCCC2)CCCO1 13829063 DNJJDIJRUXTWBP-HOCLYGCPSA-N 335.410 4.211 0 1 EIAF C[C@@H]1CC=C2[C@H](CCC[C@@]2(C)C(=O)O)[C@@]1(C)CCC1=CCOC1=O 15266577 MZTWBVITFAFIPW-NNSOFZPJSA-N 332.440 4.113 0 1 EIAF biogenic O=C1CC[C@]2(C3CCCCC3)O[C@H](COc3ccc(Cl)cc3)CN12 27522060 DPELOVWSZBPUJH-PKOBYXMFSA-N 349.858 4.017 0 1 EIAF Cc1cc([C@@](O)(c2ccc(C(C)C)cc2)C2CCN(C)CC2)sn1 28244297 PMXPQHJCWDMKPK-HXUWFJFHSA-N 344.524 4.153 0 1 EIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 34801189 QNMBJXHTULXJII-BJWFUVPOSA-N 345.527 4.399 0 1 EIAF COc1ccc(C(c2ccccc2)(c2ccccc2)n2cncn2)cc1 43120193 JHXLYXVBHOVBLK-UHFFFAOYSA-N 341.414 4.127 0 1 EIAF Cc1ccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 82083721 KYXZMALCKBBTEO-INIZCTEOSA-N 325.437 4.289 0 1 EIAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(O)c(F)c1 84689929 RKMYVVAHPNIJAY-CYBMUJFWSA-N 329.415 4.249 0 1 EIAF CCOC[C@H]1C(=S)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 102808796 SJKQWHHUTCXHMA-OAHLLOKOSA-N 349.521 4.170 0 1 EIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CC[C@@H](C2CCCCC2)C1 169704907 RVOBNXHEQUSXBI-CABCVRRESA-N 326.444 4.433 0 1 EIAF Brc1ccnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586885557 WHXPABHEMCRSSC-ZSYFIWHWSA-N 332.245 4.188 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)cc(C)c2[nH]1 586916642 NAEJIJYZSPRFOA-KKSFZXQISA-N 334.419 4.396 0 1 EIAF CN(C)CCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987277 CKCOJKUGJXVNOH-UHFFFAOYSA-N 346.430 4.036 0 1 EIAF COc1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2n1 587011959 FOHQBITYPFROGG-UHFFFAOYSA-N 336.420 4.374 0 1 EIAF C[C@@]1(c2nc3cc(Cl)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173379 CIZIUWASSLJYIK-KRWDZBQOSA-N 348.736 4.123 0 1 EIAF COC(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345102 DVPSAJWYACGQTD-PXNSSMCTSA-N 344.382 4.074 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COC)cc1)CC2=O 587480672 OOIKIWHQHLPIQH-IBGZPJMESA-N 326.392 4.198 0 1 EIAF O=C1C[C@@H](c2cccc(-c3ncon3)c2)Oc2c1ccc1c2CCCC1 587521059 ABYAIBAGOVDVGX-IBGZPJMESA-N 346.386 4.322 0 1 EIAF N=c1[nH]ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783912 JEXNRMCBIZQGGA-FLIBITNWSA-N 342.402 4.120 0 1 EIAF COc1cccc(CC[C@]2(C3CCC3)NCCc3ccc(O)cc32)c1 963339938 CUDDCMONJGLFIS-JOCHJYFZSA-N 337.463 4.175 0 1 EIAF CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C)cc3c21 4969920 XZBCIXDDGWTKOG-UHFFFAOYSA-N 345.402 4.123 0 3 EIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@@H]4[C@H]3CC[C@@H]2C1 5632086 KCXUMZXWLRGXME-VDBGNAEESA-N 348.483 4.256 0 3 EIAF CC(=O)Nc1cccc(-c2csc([C@](C)(O)c3ccccc3)n2)c1 61904168 VLSZGMOQSDFBDC-LJQANCHMSA-N 338.432 4.024 0 3 EIAF O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773426 OKWICAASIZGBBI-UHFFFAOYSA-N 340.354 4.413 0 1 EIAF C[C@@H](CO)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 13646305 MUKXYIDGJCNPIW-AWEZNQCLSA-N 345.402 4.350 0 1 EIAF CCOC(=O)C1=CC[C@@H](CCC(c2ccccc2)c2ccccc2)NC1 13823741 JHIZWHQIFSIFIM-NRFANRHFSA-N 349.474 4.450 0 1 EIAF O=C(O)C[C@@]1(C2CC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49048878 XMJNHKOYRLWPKM-INIZCTEOSA-N 340.206 4.127 0 1 EIAF COc1cc(/C(=C/c2ccc(Cl)cc2)[C@H](C)O)cc(OC)c1OC 71319306 SPNXRTVAWAVUAX-RGZVIEDOSA-N 348.826 4.287 0 1 EIAF COc1ccc(-c2c(O)c3cc(Cl)ccc3oc2=O)cc1Cl 82158319 FCJFTORJZFTPAV-UHFFFAOYSA-N 337.158 4.481 0 1 EIAF COc1ccc([C@@H](C)c2ccc3c(ccn3C)c2)c(OC)c1OC 95585870 NUMYGDDLVWVHKN-ZDUSSCGKSA-N 325.408 4.356 0 1 EIAF O=C(NCc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 165695266 LXIXCUDCSIGRGS-UHFFFAOYSA-N 344.827 4.180 0 1 EIAF CC(C)(O)c1cc2c(c(=O)o1)c1ccccc1n2Cc1ccccc1 199501506 VLHRNJCISWLBQM-UHFFFAOYSA-N 333.387 4.023 0 1 EIAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988070 XOZHPTOTFTXFMX-UHFFFAOYSA-N 338.366 4.401 0 1 EIAF Cc1nc(C)c(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)s1 587012660 QPAHIFLJDKANKD-UHFFFAOYSA-N 327.331 4.126 0 1 EIAF CSc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587091136 FQSQTXSQUAMWTQ-UHFFFAOYSA-N 339.342 4.288 0 1 EIAF Fc1c(Br)cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1F 587093940 VIQVIBBALWYWHT-IMJSIDKUSA-N 341.077 4.269 0 1 EIAF COC(=O)[C@H]1C=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587097292 LBFNCDOKZUFINB-HNNXBMFYSA-N 341.366 4.038 0 1 EIAF CO[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 587099576 NMSPYRFHISBVDB-ZDUSSCGKSA-N 329.399 4.258 0 1 EIAF CC(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100593 LRCYSCOFETXIOC-ZDUSSCGKSA-N 327.383 4.373 0 1 EIAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CC(=O)C[C@@H]41)-c1ccccc1C2=O 587101176 ROXPOAZCPRXPKK-SJKOYZFVSA-N 339.394 4.373 0 1 EIAF CCOC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587153383 ZGABXSKSFYMWMO-STQMWFEESA-N 342.345 4.289 0 1 EIAF Fc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1Br 587176901 VOFZYRMCWNNRGE-UHFFFAOYSA-N 349.138 4.147 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CO)C3)c1 587365970 LOIWRBRTUURVSJ-ZDUSSCGKSA-N 331.371 4.289 0 1 EIAF CC[C@@]1(c2cc(F)c(F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587382349 PXYWGWZRRDYOGY-SFHVURJKSA-N 335.325 4.265 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4C[C@H]1C)[C@@H](C2)C3=O 587423554 VQGUVTIDWOSPSY-YEDKGOCGSA-N 340.806 4.184 0 1 EIAF CCCc1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441757 HMAPJWRAAPURSC-IIBYNOLFSA-N 338.403 4.145 0 1 EIAF O=C1CC2(CCN(C3CCCC3)CC2)Oc2c1ccc1c2CCCC1 587511918 ARRUKVBNYNGFKE-UHFFFAOYSA-N 339.479 4.308 0 1 EIAF CCCCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513640 KKYFNZDJQWSLQW-UHFFFAOYSA-N 327.468 4.165 0 1 EIAF Cc1ccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 587516291 VKJIDCANQNIRMN-LJQANCHMSA-N 332.403 4.228 0 1 EIAF Cn1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2n1 587516638 DPAKEPFWLFNTTE-HXUWFJFHSA-N 332.403 4.159 0 1 EIAF CCOC(=O)CCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527120 WCMRHURSJBCNQF-HXUWFJFHSA-N 330.424 4.023 0 1 EIAF Cc1cncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587771800 DASZRYWPMDCWMF-DIFFPNOSSA-N 349.247 4.089 0 1 EIAF CCOC(=O)c1ccc([C@@]2(CC)NCCc3cc(Cl)ccc32)cc1 963382043 ZIZCKSBEZDLTFK-HXUWFJFHSA-N 343.854 4.316 0 1 EIAF CCCCCC=CC[C@@H](O)CCC=CC=C[C@@H](O)CCCC(=O)O 2356521834 NKUPFHTVILUPKF-RTBURBONSA-N 338.488 4.382 0 1 EIAF O=[N+]([O-])c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 5595540 HEBHAMSXWAGTDN-UHFFFAOYSA-N 343.346 4.344 0 1 EIAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2 14618727 UIXVBRXEFVSERL-QRQYBIJMSA-N 340.419 4.393 0 1 EIAF biogenic O[C@]1(c2ccc(Cl)cc2)c2cccc3cccc(c23)C2=NCCCN21 27409596 DLDYQJGHJVNKSI-OAQYLSRUSA-N 348.833 4.153 0 1 EIAF CCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27561443 IALGVABNIXIPEW-NWANDNLSSA-N 332.465 4.448 0 1 EIAF C=C(c1cc(OC)c(OC)c(OC)c1)c1c[nH]c2cc(OC)ccc12 28459043 FPYOFGVJWWHPFV-UHFFFAOYSA-N 339.391 4.264 0 1 EIAF CCCCCN1C(=O)[C@](C)(c2ccc3c(c2)OCO3)c2ccccc21 71334159 XUZKDDOXRSHWCW-OAQYLSRUSA-N 337.419 4.258 0 1 EIAF O=C1[C@H]([C@H](O)c2ccc3ccccc3c2)CCCN1Cc1ccccc1 103271878 HXWLZAJEWVRWDC-FCHUYYIVSA-N 345.442 4.312 0 1 EIAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)n1 169726274 PRMDUKYDGYOIPL-MRXNPFEDSA-N 339.395 4.344 0 1 EIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(CO)C4)C1(C)C 238775976 UBTQUINDRHFXPQ-AFIBSPAZSA-N 346.511 4.179 0 1 EIAF Brc1nccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586884766 IUYJDDKPFHZCJX-PXAZEXFGSA-N 340.224 4.092 0 1 EIAF OCCc1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586897054 PVHOMASYGYEFRM-UHFFFAOYSA-N 330.387 4.137 0 1 EIAF Cc1ncc(-c2nc3cc(F)cc(F)c3[nH]2)c(C)c1Br 586979329 WWBODOGVZBCIEW-UHFFFAOYSA-N 338.155 4.282 0 1 EIAF Clc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 586979389 LRMNGXXVGWGIRH-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1N 587102994 CGNDWGQKGFCKJW-UHFFFAOYSA-N 337.382 4.278 0 1 EIAF COc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136610 SQLJHCYNCUOSNC-UHFFFAOYSA-N 339.139 4.279 0 1 EIAF Cc1ccc(NC2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCCC2)cc1 587237594 VHXAYCOZLZZGNC-UHFFFAOYSA-N 347.422 4.335 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(N)cc21 587391133 SHBYZYPEXYTNGZ-QFIPXVFZSA-N 342.398 4.049 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3nccc-3cc1F)CC2=O 587469429 ZSAFBWDVIHCOJG-MRXNPFEDSA-N 340.354 4.018 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(F)ccc31)CC2=O 587471989 OBBJPCWPUGNVJU-FQEVSTJZSA-N 342.366 4.127 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@H](C)CC)CC2=O 587480860 WPAVFYCOXTWWCO-XIKOKIGWSA-N 328.412 4.219 0 1 EIAF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2c(C)cc(Cl)cc12 587627125 OQSWZERSXZZCOK-UHFFFAOYSA-N 331.803 4.015 0 1 EIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587961966 HLILQPHFKAOGGW-ZBFHGGJFSA-N 334.419 4.300 0 1 EIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587962355 HXXUTJUZLOQCFA-HTQZYQBOSA-N 341.636 4.137 0 1 EIAF Cc1ccc([C@]2(C3CC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1C 963037405 VNUCOPXJZZEOSE-HJPURHCSSA-N 346.474 4.010 0 1 EIAF Cc1ccnc2c1CCN[C@@]2(c1cc(F)c(F)c(F)c1)C1CCCC1 963070652 PLLQPSOVWAQCOE-HXUWFJFHSA-N 346.396 4.387 0 1 EIAF C[C@@H]1CCC[C@H](C=C[C@H]2[C@H]3[C@H](C[C@H]4CCCC[C@@H]24)C(=O)O[C@@H]3C)N1 2356425124 GEQKTSPOTKEYOG-HNMICSQGSA-N 331.500 4.077 0 1 EIAF CCCCCC=C[C@@H](O)[C@H](O)C=CC=CCC=CCCCC(=O)O 2356686369 CGXPEDOFBFGHJH-RTBURBONSA-N 336.472 4.158 0 1 EIAF COc1ccc(-c2c(-c3ccsc3)oc3c2[C@@H](O)CCC3)cn1 95564822 GFTMPCPMIXXKGC-ZDUSSCGKSA-N 327.405 4.448 0 3 EIAF CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)[nH]c3ncnn23)cc1 3909969 UQKXOLWPSGLXKK-UHFFFAOYSA-N 333.395 4.297 0 1 EIAF c1ccc2c(c1)COC21CCN(CCCOC2CCCCC2)CC1 13741537 RHMWHPSLGIVMPV-UHFFFAOYSA-N 329.484 4.247 0 1 EIAF COc1cc2c(c3c1[C@H](O)C[C@H](c1ccccc1)O3)C=COC2(C)C 14439334 DJLVQLNNAMLMDT-IAGOWNOFSA-N 338.403 4.488 0 1 EIAF biogenic C1=C(c2ccccc2)CC[C@@H](CN2CCN(c3ccccn3)CC2)C1 18176056 JGNXULKJDFTLJS-IBGZPJMESA-N 333.479 4.087 0 1 EIAF CCCCc1nc2[nH]ncc2c2nc(-c3ccc(C(C)(C)C)cc3)nn12 27211791 BIQMGNJABZQRKZ-UHFFFAOYSA-N 348.454 4.308 0 1 EIAF O=C(O)[C@H]1CCCN(CCCC(c2ccccc2)c2ccccc2)C1 27733506 PWMJNBMJVCFOLC-FQEVSTJZSA-N 337.463 4.395 0 1 EIAF Cc1cc([C@](O)(c2ccc(C(C)C)cc2)C2CCN(C)CC2)sn1 28244305 PMXPQHJCWDMKPK-FQEVSTJZSA-N 344.524 4.153 0 1 EIAF CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 28765474 UBTRYWQKIWBIDS-OTGCGEFBSA-N 347.547 4.002 0 1 EIAF CCCc1nc(C)c2c(-c3ccccc3)cnc(Nc3cc[nH]n3)n12 29416203 HWGPBNKFSLUFIM-UHFFFAOYSA-N 332.411 4.124 0 1 EIAF COc1ccc2oc(CCc3cc4c(cc3Cl)OCO4)nc2c1 40895394 DIIAHYXBGJGDLG-UHFFFAOYSA-N 331.755 4.004 0 1 EIAF Fc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2n2cccc12 68248134 CPFUAFFNZAQNIL-UHFFFAOYSA-N 344.353 4.155 0 1 EIAF COC[C@@H]1O[C@@]2(c3ccccc3)CO[C@H]1[C@H](/C=C\c1ccccc1)C2 102853547 ODBOCRLDKFDGTG-RKNUTDRGSA-N 336.431 4.046 0 1 EIAF CC[C@@H](C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F 103179503 ZTFXSGALUDXYAJ-SNVBAGLBSA-N 325.334 4.205 0 1 EIAF CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 103232170 CHLSHLSJSIBNQZ-FJPGZJACSA-N 335.491 4.228 0 1 EIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586879200 JNNHTWYXHQJVIK-AATRIKPKSA-N 334.162 4.030 0 1 EIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C)c(C)c2[nH]1 586964261 WGXBWHZTBCOOBO-ZDUSSCGKSA-N 328.441 4.227 0 1 EIAF Oc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012859 LWGPGAJLDSODQN-UHFFFAOYSA-N 336.214 4.032 0 1 EIAF Cc1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587031641 JPYYNKIWZKEPIX-UHFFFAOYSA-N 349.253 4.435 0 1 EIAF Oc1ccc2scc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2c1 587032258 GUJUMYUVWNGYQR-UHFFFAOYSA-N 338.388 4.312 0 1 EIAF Fc1cc(C(F)(F)F)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 587089281 OOGQYVLPQHZRJW-UHFFFAOYSA-N 331.219 4.256 0 1 EIAF Cc1cnc(Cl)c2[nH]c(-c3cc(F)cc(Br)c3)nc12 587160859 GDROJXFPGZXREK-UHFFFAOYSA-N 340.583 4.488 0 1 EIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(C)(C)C)o1)[C@@H](C2)C3=O 587452658 GJLQFPNBTCUPAB-RNODOKPDSA-N 326.392 4.249 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C3CCCC3)c1)CC2=O 587474348 FIQVDJBWMYRHCF-LJQANCHMSA-N 340.423 4.363 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CCC)c1C)CC2=O 587475344 MNUAKFJOKPAPCC-GOSISDBHSA-N 342.439 4.275 0 1 EIAF Cn1cnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587515349 KYVTVXIFJHZWLX-FQEVSTJZSA-N 332.403 4.159 0 1 EIAF CCn1ncc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587518061 ZRXBVQMMPOPPKZ-NRFANRHFSA-N 338.451 4.361 0 1 EIAF CC1(C)[C@@H]2[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601667 FFKFCCUBOBUARZ-BNZQBYKSSA-N 336.387 4.159 0 1 EIAF COc1ccc(-c2[nH]c3cc(F)ccc3c2CN(C)C)cc1OC 587634702 BKEAHNXNTZAFSG-UHFFFAOYSA-N 328.387 4.053 0 1 EIAF COc1ccc([C@@H](c2ccccc2)c2nc3cncc(C)c3[nH]2)cc1 587938146 TWLZRMQCANBXSH-LJQANCHMSA-N 329.403 4.455 0 1 EIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cc(F)c4[nH]1)(C3)C2 587951320 SLLSZRFTTXBKQZ-LWYUSKRHSA-N 342.414 4.164 0 1 EIAF COc1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1OC 1857601445 WLNDLXJBLQPIFZ-UHFFFAOYSA-N 345.402 4.004 0 1 EIAF COc1cnc2c(c1)c(CN1CCCCC1)cn2Cc1ccccc1 1857764305 LMLKRBJWELRCEI-UHFFFAOYSA-N 335.451 4.079 0 1 EIAF CC(C)=CCOc1ccc(CCNC(=O)C=Cc2ccccc2)cc1 2356379712 GDBYZGRXGDJMHH-UHFFFAOYSA-N 335.447 4.404 0 1 EIAF COc1cccc(-c2c[nH]c([C@@H](O)c3cc(Cl)cc(Cl)c3)n2)c1 61902876 XQVYKZWEUXMOHJ-INIZCTEOSA-N 349.217 4.474 0 3 EIAF Nc1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 6716726 KDEGUYUJEUYQJV-UHFFFAOYSA-N 346.312 4.368 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)nc2c1 12354905 FKTVUGSKIYLIGS-UHFFFAOYSA-N 344.374 4.012 0 1 EIAF CCn1c2c(c3ccccc31)CN(CCCOc1ccccc1)CC2 13476833 SPGBOZVYWAFGMF-UHFFFAOYSA-N 334.463 4.488 0 1 EIAF CCN(CC)CCCN1C(=O)Nc2ccccc2[C@H]1c1ccccc1 13553566 TZIOFZONKQVFAH-HXUWFJFHSA-N 337.467 4.355 0 1 EIAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(CO)[C@H](CC[C@@H]21)C3 17140613 IURJXDRUVNGNGB-DFZZAROHSA-N 332.484 4.101 0 1 EIAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(OCCO)c2)cc1 28863735 OFHMNTWCPPZKHO-FMIVXFBMSA-N 339.435 4.007 0 1 EIAF CC[C@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 29208500 VUOSBBZWOPIIAE-SWGAWFCGSA-N 343.320 4.297 0 1 EIAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)C1CCCCC1 43200754 BGKNARSAMJTTCY-HXUWFJFHSA-N 343.373 4.489 0 1 EIAF CCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1cccc(O)c1 45368617 GMIYRMGIWWCELH-NRFANRHFSA-N 334.419 4.066 0 1 EIAF CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2cccc(O)c2)c1 73195902 UACWZJMISSEYGY-UHFFFAOYSA-N 333.387 4.037 0 1 EIAF COc1ccccc1CCNc1cncc(Oc2cccc(F)c2)n1 82068550 HKRVVYFYHGSASF-UHFFFAOYSA-N 339.370 4.071 0 1 EIAF COc1cccc(Nc2nccc3c2ncn3Cc2ccccc2)c1 82081809 UEWFEQWHHRHPFJ-UHFFFAOYSA-N 330.391 4.232 0 1 EIAF O=C(Oc1ccc(CN2CCCCC2)cc1)c1c[nH]c2ccccc12 96914951 FMEBLCVXTAPZLR-UHFFFAOYSA-N 334.419 4.373 0 1 EIAF COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C(=O)O 96938212 HDVRRDHXHGFQOQ-UHFFFAOYSA-N 347.370 4.313 0 1 EIAF O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCC[C@H]3C(F)(F)F 100827269 NRQQDFFSJPVQFQ-MRVPVSSYSA-N 337.219 4.273 0 1 EIAF CC(=O)Nc1ccc2c(c1)[C@@]1(C)CCN(Cc3ccccc3)[C@H](C2)[C@H]1C 195255048 FTFOZMMDMFOELO-AVIJNYRZSA-N 348.490 4.369 0 1 EIAF C=C(C)c1nc2c(Cn3nc(C(=O)O)cc3C)cc(Cl)cc2s1 208112212 YIPSLOWBBLCNAX-UHFFFAOYSA-N 347.827 4.234 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586883732 LBOVBQQEVOPFOC-ZOZWFDGUSA-N 344.842 4.471 0 1 EIAF COc1cc(/C=C\c2nc3cc(C)cnc3[nH]2)ccc1Br 586978295 ZSRUQEIUBQDQQJ-XQRVVYSFSA-N 344.212 4.208 0 1 EIAF C[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1C(F)(F)F 587097431 HLVAOQHNFNJAFI-RFAUZJTJSA-N 348.328 4.457 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC[C@H](O)[C@H]4C)-c1ccccc1C2=O 587102559 XOJCRJLUYFXZIS-PXAZEXFGSA-N 329.399 4.165 0 1 EIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(C(C)(C)C)c3[nH]1)C2 587246528 GZFIBSJJTVFDMH-QFIPXVFZSA-N 349.478 4.212 0 1 EIAF CCC[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442326 LFLRQESEZYNNNR-UTKZUKDTSA-N 338.403 4.147 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ccccc1)CC2=O 587474030 CBPFELVFVYUOCG-HXUWFJFHSA-N 348.402 4.237 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cccnc1)CC2=O 587488790 JXSPCGIXWPPUBJ-HXUWFJFHSA-N 325.408 4.401 0 1 EIAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 587634630 AFUBVJFKDKWKTB-LLVKDONJSA-N 336.407 4.082 0 1 EIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587786479 QSHZXEFXACQOMZ-OLZOCXBDSA-N 344.773 4.299 0 1 EIAF COc1ccc(CCCc2nc3ccc(F)c(F)c3[nH]2)c(OC)c1 587929538 WJRSYNUUGGFDKV-UHFFFAOYSA-N 332.350 4.034 0 1 EIAF COc1cccc(CCc2nc3cc(Br)c(F)cc3[nH]2)c1 587930531 HIPYDIRMWOKAJG-UHFFFAOYSA-N 349.203 4.258 0 1 EIAF COc1ccc(-n2c(O)cc(-c3nc4ccccc4s3)c2N)cc1 958590144 BXBFMZHVSHJDHP-UHFFFAOYSA-N 337.404 4.050 0 1 EIAF Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12 4902658 XCGSMAIOHBHIEZ-UHFFFAOYSA-N 342.398 4.488 0 3 EIAF COc1ccc(-c2c(Cl)nc(Cl)c(=O)n2-c2ccccc2)cc1 42923639 QGUBAOGVNNFYGX-UHFFFAOYSA-N 347.201 4.215 0 1 EIAF FC(F)(F)c1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1 45373660 RANHQDLIWMWTIV-UHFFFAOYSA-N 347.296 4.163 0 1 EIAF CN1CCC[C@H](c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)C1 49071421 XXJGIBBSKLJZNL-INIZCTEOSA-N 336.414 4.087 0 1 EIAF Clc1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1 82083055 LEKIWOJRDHAGFK-UHFFFAOYSA-N 349.777 4.445 0 1 EIAF CN1C[C@H](CC(=O)c2ccccc2)CC[C@H]1CC(=O)c1ccccc1 85511378 AHSYGTGCCMEKRI-PXNSSMCTSA-N 335.447 4.243 0 1 EIAF biogenic,in-vitro Oc1cc(CN2CCCC[C@H]2c2cccnc2)nc2c(F)cccc12 91586773 RLCLURNCUYHEHL-SFHVURJKSA-N 337.398 4.202 0 1 EIAF O=C1O[C@@H](Cc2ccccc2)[C@H]2[C@@H]3C=CCCC=C3CN2C12CCCC2 95798291 YPZIMMHSLHAABA-QHAWAJNXSA-N 349.474 4.044 0 1 EIAF CCCC[C@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C 100913993 VGUKOKATWNDEOI-FCMAGTKHSA-N 343.511 4.307 0 1 EIAF COc1ccc(-c2cnc3c(NCC4CC4)snc3c2)cc1OC 223116308 VFYXRIXLBXVVFF-UHFFFAOYSA-N 341.436 4.197 0 1 EIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3cn[nH]c3cc2[nH]1 587011100 GPDNAYXIZUGAHY-UHFFFAOYSA-N 345.431 4.462 0 1 EIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 587070025 OSUZAYFATHIQAZ-JTQLQIEISA-N 338.798 4.469 0 1 EIAF FC(F)(F)c1ccn(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 587117890 HMWNCEUFYLMURB-UHFFFAOYSA-N 349.143 4.328 0 1 EIAF CNc1c(F)cccc1-c1nc2cc(C)c(Br)cc2[nH]1 587135500 DPLSHADFFAAISE-UHFFFAOYSA-N 334.192 4.482 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)C(F)(F)F)cc1)O2 587381121 GGFYVYWXZZTHIT-HNNXBMFYSA-N 349.308 4.029 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cccc(N)c21 587388525 DALUOJUAIHHTEW-QFIPXVFZSA-N 342.398 4.049 0 1 EIAF CCCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399352 JEQSIKMNBSAMSG-IBGZPJMESA-N 325.408 4.463 0 1 EIAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3c(C)cccc13)CC2=O 587486523 RKWDDWADDAUXKN-QGZVFWFLSA-N 336.391 4.236 0 1 EIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1[C@H]1CCOC1)CC2=O 587486708 MKGSUFUWTJILCT-AVBTWRTFSA-N 344.451 4.275 0 1 EIAF CCOC(=O)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587522262 GUBMCKNZHFUGEX-UHFFFAOYSA-N 342.435 4.023 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccco2)N1 587826239 DUGJFKFMNCQARI-AUZMMHNKSA-N 336.204 4.470 0 1 EIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(C(=O)OC)c2[nH]1 587951691 ISDONQQVGSHMGE-XEZPLFJOSA-N 330.428 4.396 0 1 EIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cnn(-c2ccncc2)c1 963242476 QDIIKSDZKXIUSU-HRAATJIYSA-N 332.451 4.013 0 1 EIAF O=C(NCc1ccc(F)cc1)c1ccccc1-n1cc2ccccc2n1 1772644190 AQPZRYHJLJMOEM-UHFFFAOYSA-N 345.377 4.095 0 1 EIAF CCN(Cc1ccccc1)c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C 1857747123 AUJYSYDAMOAXMY-INIZCTEOSA-N 349.478 4.047 0 1 EIAF CC(C=Cc1ccccc1)=CC(=O)OC[C@H]1CCCN2CCCC[C@H]12 2356773882 LFSIDNBLRSULJS-NHCUHLMSSA-N 339.479 4.454 0 1 EIAF C[C@@H]1CC[C@]2(C)[C@](C)(O)CCC[C@]23c2c(O)ccc(O)c2C[C@]13C 2356794191 KZOZFNNSDNJQOZ-PBESMTTMSA-N 330.468 4.269 0 1 EIAF COCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 2332 NBOGXVFIJYROQS-UHFFFAOYSA-N 336.391 4.125 0 1 EIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1nccn1 13520569 DQFSOCQBGGWYNF-ZKHIMWLXSA-N 339.483 4.053 0 1 EIAF Cc1cc(C)n2nc(-c3ccc(O)cc3)c(-c3cccc(O)c3)c2n1 13584980 ZJRJOXPNGQITBS-UHFFFAOYSA-N 331.375 4.091 0 1 EIAF C[C@@]1([C@]2(C)COC(c3ccccc3)(c3ccccc3)O2)CCCCN1 14952396 LXSFMSNAFNZVIS-SFTDATJTSA-N 337.463 4.225 0 1 EIAF in-vitro CC[C@](O)(c1cccc(OCc2ccccc2)c1)c1nccs1 26282388 KFEFRSCGCLMNNK-IBGZPJMESA-N 325.433 4.368 0 1 EIAF CC[C@H](C)c1ccc([C@H](c2cc(C)ns2)N2CCN(C)CC2)cc1 28252668 SFWTUIATIJIIIF-MGPUTAFESA-N 343.540 4.302 0 1 EIAF COC(=O)C1=C(c2ccc(Br)cc2)C[C@@H]2CC[C@H]1S2 28385624 JIRFQBTTXOAYCT-WCQYABFASA-N 339.254 4.044 0 1 EIAF NC(=O)NC(=O)[C@@H](CC1CCCCC1)c1ccc(Cl)c(Cl)c1 38841152 JMRYUUKIWGVQSW-LBPRGKRZSA-N 343.254 4.242 0 1 EIAF O=C1Cc2cnc(Nc3ccccc3Cl)nc2-c2ccccc2N1 45367821 UOPUPFLUHAWAOV-UHFFFAOYSA-N 336.782 4.035 0 1 EIAF Cc1ccccc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1 72183893 LIEMJOWJMBBRKE-LJQANCHMSA-N 347.462 4.014 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3C[C@H]4[C@H]2C[C@@H]2[C@@H]4[C@@H]3[C@@H]21 169290662 NVLJYIBBEXBONT-PDRCUZIYSA-N 340.555 4.005 0 1 EIAF CC(C)=CCOc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1 238776670 FKMIDLDXCKCVPH-UHFFFAOYSA-N 338.359 4.216 0 1 EIAF Clc1ccc(C2(c3nnc4c(OCC5CC5)cccn34)CC2)cc1 299826368 HAJLFEZLODUZSS-UHFFFAOYSA-N 339.826 4.251 0 1 EIAF CCc1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1CC 586880237 VWDNEQSDFSGQHG-UHFFFAOYSA-N 337.467 4.295 0 1 EIAF Fc1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1-n1cccn1 586886665 GLSXTFZXTFKFJU-QVKFZJNVSA-N 344.393 4.259 0 1 EIAF COC(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108886 CFCCXOOVGPZTCH-UHFFFAOYSA-N 338.260 4.174 0 1 EIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2[nH]1 587112018 CTIYCXWEXHMFHV-LBPRGKRZSA-N 339.748 4.478 0 1 EIAF Fc1c(F)c(F)c(/C=C/c2nc3ccnc(Cl)c3[nH]2)c(F)c1F 587134492 MDWXEWGXXNKHHY-OWOJBTEDSA-N 345.658 4.477 0 1 EIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 587233432 PDJGOSBFEKIZDR-CABZTGNLSA-N 337.370 4.002 0 1 EIAF CCC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348696 ANPUFUXTZSRTMM-ICSRJNTNSA-N 342.366 4.018 0 1 EIAF COc1ccc([C@]2(c3ccco3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415269 ZAHSAEIGQURQRN-NRFANRHFSA-N 349.386 4.088 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C(C)(C)C)nc1)CC2=O 587491941 VDOKDIYOZKQHAU-KRWDZBQOSA-N 340.423 4.139 0 1 EIAF C[C@@]1(c2ncc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508019 XQAIKFHUHSWLOV-IBGZPJMESA-N 329.346 4.119 0 1 EIAF Cc1nc2sccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587537071 ADHKSXXENDUYNP-MRXNPFEDSA-N 338.432 4.290 0 1 EIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2ccccc12 587871318 FOANEKSPTIRZHH-UHFFFAOYSA-N 334.354 4.020 0 1 EIAF COc1ccc(CCCc2nc3cc(C)c(F)cc3[nH]2)c(OC)c1 587928304 BTEAICVIRGZULG-UHFFFAOYSA-N 328.387 4.203 0 1 EIAF N=c1[nH]ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949605 IPHFBHLTPROFRA-KHPPLWFESA-N 328.375 4.333 0 1 EIAF O=C(O)CCCOc1ccc(-c2cc(OC3CC3)ccc2F)cc1 1772641178 AQNIDUQNJARXRU-UHFFFAOYSA-N 330.355 4.278 0 1 EIAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C(C)=O)C1 2356313304 VZGVYUAWGQJKPO-FAGWYDQESA-N 346.511 4.284 0 1 EIAF Cc1ccc(-c2nc(C(=O)Nc3ccccn3)c3n2CCCCC3)cc1 6749231 KYSFTXJTWSDCSC-UHFFFAOYSA-N 346.434 4.232 0 1 EIAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2CCCC(=O)[C@H]21 261139859 MWAUZLNCUAEKNR-DLKVLKDVSA-N 340.897 4.313 0 1 EIAF Fc1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1-n1cccn1 586882871 CNMRDYJXKRIPRG-DBHZFRFHSA-N 336.414 4.356 0 1 EIAF CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 586907541 BAMFLOFWSIUMNT-ISVAXAHUSA-N 327.197 4.137 0 1 EIAF c1ccc(C[C@@H]2N[C@@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 587040222 GMADFWARHKZNDI-QZTJIDSGSA-N 346.459 4.057 0 1 EIAF Cc1ccc2c(ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c32)n1 587059981 XBQZCHSMIVDSEB-HNNXBMFYSA-N 336.826 4.315 0 1 EIAF FC(F)(F)c1nc2ccc(-c3nc4cncc(Cl)c4[nH]3)cc2[nH]1 587120500 LVWJRKRDWOQBMW-UHFFFAOYSA-N 337.692 4.173 0 1 EIAF Cc1cc(Cl)cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 587175987 DPQAHLUXHJTAOK-UHFFFAOYSA-N 326.762 4.461 0 1 EIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 587233562 QVUVDLBVHWNICX-CMPLNLGQSA-N 337.370 4.002 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cccc(F)c3o1)O2 587385682 FWCMBLBGVMXUNS-LJQANCHMSA-N 325.339 4.343 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cc4sccc4s1)[C@@H](C2)C3=O 587451127 IDOFYPPXRKKYQX-DYZYQPBXSA-N 328.414 4.460 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccs4)n1)[C@@H](C2)C3=O 587453231 WNBAIFSHEQTPAQ-RNODOKPDSA-N 349.411 4.307 0 1 EIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587528071 ZAFCENGOJIHJKV-HXUWFJFHSA-N 338.403 4.289 0 1 EIAF COc1ccc(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)cc1O 587786231 KFSJGWQPLJPQKS-UHFFFAOYSA-N 346.386 4.103 0 1 EIAF COc1ccc(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2)cc1 587936069 QXXHDBJCXCTOKL-UHFFFAOYSA-N 343.386 4.004 0 1 EIAF COC(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2n1 587968705 OHJTUNUVGNFLNK-XFXZXTDPSA-N 329.359 4.068 0 1 EIAF CC=C(C)C(=O)OCC=Cc1ccc(OC(=O)C(C)=CC)c(OC)c1 2356485893 XBXXXXXDBUJKFO-UHFFFAOYSA-N 344.407 4.089 0 1 EIAF C[C@@H]1N=C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](NC=O)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356779293 QKXFAIFVGUITJR-ZDNYCOCVSA-N 340.511 4.133 0 1 EIAF COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1 61925723 RRNSJHCXUIZSTF-UHFFFAOYSA-N 340.452 4.134 0 3 EIAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4054143 COOIPXQHCJBQEW-FPOVZHCZSA-N 344.414 4.020 0 1 EIAF O=C1Nc2ccc(Cl)cc2S[C@@H](c2ccc(Cl)cc2)[C@H]1O 4178701 ISHUJCRNBARNHX-KGLIPLIRSA-N 340.231 4.140 0 1 EIAF COc1c(O)c(C(C)=O)c(OCc2ccccc2C)c2ccoc12 13682273 VLURLJJGXZUKRM-UHFFFAOYSA-N 326.348 4.237 0 1 EIAF CN(CCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1 13794306 PLDXJBFSBNKSSV-UHFFFAOYSA-N 332.451 4.078 0 1 EIAF O=C(NCCN1CCCCCC1)[C@@H](c1ccsc1)C1CCCCC1 13864168 CQIMIYZKVHVTQM-LJQANCHMSA-N 348.556 4.404 0 1 EIAF O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1 13864642 FHGXHOVYGNZIKN-UHFFFAOYSA-N 336.322 4.182 0 1 EIAF Cc1n[nH]c(-c2ccc(O)c(Cl)c2)c1-c1ccc2c(c1)OCCO2 28462854 YFAFFZTZLFPMKU-UHFFFAOYSA-N 342.782 4.182 0 1 EIAF c1ccc2c(CCO[C@@H]3CCCC[C@@H]3N3CCOCC3)cccc2c1 34096560 JQQLXARPNNPHPC-FCHUYYIVSA-N 339.479 4.042 0 1 EIAF C[C@@H](O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801345 YNZAQRSPHOQQKX-HOIMRQEASA-N 347.543 4.093 0 1 EIAF C[C@@]1(C(=O)Nc2nncs2)CC2c3ccccc3C1c1ccccc12 40406031 JPBZIHJMUSXRCT-LBXVMSDZSA-N 347.443 4.164 0 1 EIAF Nc1ccccc1[C@H]1c2ccccc2CCN1CCOc1ccccc1 40913448 LUPAIGZXTIGZDY-HSZRJFAPSA-N 344.458 4.295 0 1 EIAF Fc1ccc(NC(=S)NC2C3CC4CC(C3)CC2C4)c(F)c1F 72114871 DERCJCAWHUUOFP-UHFFFAOYSA-N 340.414 4.215 0 1 EIAF CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82175953 YYJPCCLQTFVNQS-NSHDSACASA-N 326.375 4.457 0 1 EIAF C[C@H]1CCCN1CCCOC(=O)c1ccc(O[C@@H]2C=CCCC2)cc1 254135620 RJLFAHVSQRMLJK-PKOBYXMFSA-N 343.467 4.205 0 1 EIAF O[C@@H]1Cc2cc(OC(F)(F)F)ccc2N[C@H](c2cccs2)C1 299823210 DXJYWEFDXMWWNB-MFKMUULPSA-N 329.343 4.107 0 1 EIAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 586896518 SRXCKXMXMRQDGZ-UHFFFAOYSA-N 335.329 4.248 0 1 EIAF Cc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)o1 586905608 VPRLAVUKNYFKBH-UHFFFAOYSA-N 340.433 4.166 0 1 EIAF O[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058386 FSRPGUOUVBUNGI-ZDUSSCGKSA-N 344.695 4.456 0 1 EIAF Fc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F 587077282 UQOMIYWXXOEWIB-CYBMUJFWSA-N 333.725 4.112 0 1 EIAF Cc1cc(F)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 587091376 JTISJTYVHIKIBA-UHFFFAOYSA-N 325.265 4.014 0 1 EIAF Cc1ccc2c3c(cc(CCn4cccn4)nc13)-c1ccccc1C2=O 587095988 ATECZWHYQHCITJ-UHFFFAOYSA-N 339.398 4.194 0 1 EIAF Fc1cc(F)c(-c2nc3cc(Cl)ncc3[nH]2)cc1Br 587137720 HZDLQKFSCPNVGO-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF COc1cc(-c2nc3c(C)ccc(C)c3[nH]2)nn1-c1ccccc1F 587156512 PGGNOWCESWWXKS-UHFFFAOYSA-N 336.370 4.180 0 1 EIAF Cc1nccc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 587163125 LAUHEJOKWHLFSO-UHFFFAOYSA-N 331.350 4.303 0 1 EIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(F)c2[nH]1)C(C)(C)C 587204578 KMDSEGUCIJWBRF-ZDUSSCGKSA-N 335.423 4.184 0 1 EIAF CC[C@]1(c2cc(C)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 587401861 ZFWWICLSXSCLLO-HXUWFJFHSA-N 325.408 4.165 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(C)c(C)cc31)O2 587410939 HOZKOLAFMYQXNA-NRFANRHFSA-N 337.419 4.227 0 1 EIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccsc4)nc1)[C@@H](C2)C3=O 587450534 FUVCIRDRRGNBNL-YWZLYKJASA-N 349.411 4.307 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(OC)cc1F)CC2=O 587464810 AIAQOOOTNIYAMI-KRWDZBQOSA-N 348.345 4.338 0 1 EIAF C[C@]1(C(=O)c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508657 ZOPYEZUCXJDALW-OAQYLSRUSA-N 338.378 4.311 0 1 EIAF CCn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578021 PNXYQHVJFVFFTC-GHTZIAJQSA-N 349.386 4.091 0 1 EIAF COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600268 NNEBGEGTHOIINL-GHTZIAJQSA-N 348.354 4.104 0 1 EIAF CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587772981 PVTADZMXZPLIGK-DYZYQPBXSA-N 349.247 4.169 0 1 EIAF N=C(N)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3O)cc2c1 653833343 DWFABQLVSHRVRB-UHFFFAOYSA-N 327.387 4.492 0 1 EIAF Cc1c(F)ccc2c1[C@](C)(Cc1cc(Cl)cnc1Cl)NCC2 962376800 QREMGLMUUYGGSM-KRWDZBQOSA-N 339.241 4.440 0 1 EIAF NCCNCCNCC1CCCCCCCCCCCCCC1 1772581058 FIDAQVXCLMVOKX-UHFFFAOYSA-N 325.585 4.216 0 1 EIAF CC=CC[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356615845 LTSBAPIBOQOBOR-IFXJQAMLSA-N 342.391 4.151 0 1 EIAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@](C)(O)C[C@@]12C 253780343 LZCICCXBBYHFCF-RLSJAHMJSA-N 346.511 4.164 0 3 EIAF Cc1cccc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)c1 221186 MVXMEEUODAEKIY-UHFFFAOYSA-N 340.426 4.379 0 1 EIAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C 15221185 XYBAYFQGNADPLS-KPLVMYDQSA-N 330.424 4.172 0 1 EIAF O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(F)cc1 28713233 FYSSNBVXTAUUIB-HPXCNGPASA-N 331.456 4.448 0 1 EIAF CCc1nn(CCO)c(CC)c1Oc1cc(Cl)cc(Cl)c1 34053266 PFFCLZRYUXYYMI-UHFFFAOYSA-N 329.227 4.099 0 1 EIAF S=C(NCCSCc1cc2ccccc2[nH]1)Nc1ccccc1 40632296 KFNZTIGIRQHBHQ-UHFFFAOYSA-N 341.505 4.388 0 1 EIAF COc1ccc(SC[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 84687480 YJFOATZVSUUZFI-INIZCTEOSA-N 341.476 4.420 0 1 EIAF CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Oc1cccnc1 90427273 DSEZZMOPZLHDDU-LJQANCHMSA-N 343.423 4.275 0 1 EIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101152272 RJSPORZIBKRWHU-QZTJIDSGSA-N 340.423 4.048 0 1 EIAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169338811 NNSRXNWUJQJDLG-DHVFBBQWSA-N 347.543 4.094 0 1 EIAF CC[C@H]1OCCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 586908285 CIKFPOBMWFJBEY-BXKDBHETSA-N 327.197 4.137 0 1 EIAF O=C1c2ccccc2-c2cc(-c3nccs3)nc3ccc(O)c1c23 586994206 PSTBMJDLHZJUMZ-UHFFFAOYSA-N 330.368 4.275 0 1 EIAF C[C@@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)s1 587022659 ULDPBKXQPGZLMO-RXMQYKEDSA-N 347.749 4.412 0 1 EIAF c1ccc(Cc2c([C@H]3CCCNC3)nc3cccc4c3c2CC4)cc1 587212558 SRFBJZAWUXBMHK-SFHVURJKSA-N 328.459 4.391 0 1 EIAF COc1cc2c3c(c1)O[C@](c1ccccc1N)(C1CCCC1)[C@@H](C2)C3=O 587431976 IUVFRLKPTAVNCE-JTSKRJEESA-N 349.430 4.111 0 1 EIAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587768033 CEYMSHADDMTZTA-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF C(=C\c1nc2cncnc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587783750 GKPCVABKKYGWQX-FLIBITNWSA-N 328.375 4.102 0 1 EIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)cc2[nH]1 587952988 YSFMUVOQDMORLK-MRRJBJDNSA-N 330.428 4.396 0 1 EIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccc(C2CC2)c1 963058534 PPJPHLNUWIMBLN-OAQYLSRUSA-N 330.431 4.356 0 1 EIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2[C@@H](C)Cc1ccccc1 963604064 DQGYWRYDKHQUBV-GXZWQRSESA-N 325.452 4.158 0 1 EIAF CNCc1cccc(-c2cc(F)cc(CCc3cc(C)cc(N)n3)c2)c1 1772607382 GVTRYBJMAVPTHT-UHFFFAOYSA-N 349.453 4.283 0 1 EIAF CC[C@@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 4907765 WQDQABFJNZBPDF-OAHLLOKOSA-N 340.492 4.327 0 1 EIAF COc1c(O)cc2cc1-c1cc(ccc1O)CCCCC(=O)CC2 13311595 RLJYGHZBWPTDSC-UHFFFAOYSA-N 326.392 4.002 0 1 EIAF biogenic COc1cccc(OC)c1OCCNCc1ccc2ccccc2c1 26391993 FYNJGSCLCKMVJV-UHFFFAOYSA-N 337.419 4.026 0 1 EIAF O=c1ccc(Cc2ccc(Cl)c(Oc3cccc(Cl)c3)c2)n[nH]1 40917444 MIQMWRWQGMKTCT-UHFFFAOYSA-N 347.201 4.460 0 1 EIAF Cn1c(NCc2ccccc2)nc2cnc(Nc3ccc(F)cc3)cc21 74388456 ZGVZYGAPAUBLQP-UHFFFAOYSA-N 347.397 4.463 0 1 EIAF CC[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 166009595 PTROMZWPUXNMAK-OAHLLOKOSA-N 338.436 4.478 0 1 EIAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]35)[C@@H]41 169290665 NVLJYIBBEXBONT-LGGUSSBUSA-N 340.555 4.005 0 1 EIAF Cc1c2c(cc3oc(C(=O)O)cc(=O)c13)OC(C)(C)c1ccccc1-2 169316387 FNWOYWJMZHUBED-UHFFFAOYSA-N 336.343 4.094 0 1 EIAF CCC/C=C/COC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169370094 VYMTVUHJJJHELN-POGDJOTMSA-N 336.472 4.354 0 1 EIAF CC[C@@H](C)C[C@@H](C)/C=C\CC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC 238766683 RNCWKUCWPBNWOH-IMFKAOKTSA-N 333.516 4.292 0 1 EIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586888941 KQWWEGNQOBXKTP-ZUZCIYMTSA-N 335.329 4.122 0 1 EIAF COC(=O)c1cccc2nc([C@@H](C)SCc3ccccc3)[nH]c12 586964282 WVJZBYSPJLYXCE-GFCCVEGCSA-N 326.421 4.344 0 1 EIAF Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1C 586985063 YAECSFBXXRXECO-CQSZACIVSA-N 344.256 4.185 0 1 EIAF OCc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061791 YUVZPEKJHBZYFC-UHFFFAOYSA-N 325.755 4.031 0 1 EIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587151166 QWOXAMMTNMGHNF-LURJTMIESA-N 327.693 4.169 0 1 EIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)ncc3[nH]2)c1 587160533 CXRWZPDUGKBNBL-MNOVXSKESA-N 332.176 4.131 0 1 EIAF Cc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 587195048 BITBCPRXHRRDML-UHFFFAOYSA-N 328.419 4.473 0 1 EIAF COC(=O)c1ccc2c(-c3cc4c5c(cccc5n3)CC4)c[nH]c2c1 587211447 GZOINZSIPRJKLV-UHFFFAOYSA-N 328.371 4.268 0 1 EIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)o2)N1 587708510 YIDORZXUNSYOON-JKYUHCHBSA-N 344.611 4.458 0 1 EIAF CCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587759259 ZTWGOYLWUKZONI-MGPLVRAMSA-N 337.236 4.033 0 1 EIAF CC(C)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814774 IXGJJQUTXZEZON-HWPZZCPQSA-N 326.253 4.384 0 1 EIAF Cc1ccoc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828999 POWHZBPHZLSGFX-MGPLVRAMSA-N 338.220 4.287 0 1 EIAF COc1cccc([C@@H](C)Cc2nc3cc(Br)ncc3[nH]2)c1 587931890 PEFSAAXAIXYICB-JTQLQIEISA-N 346.228 4.075 0 1 EIAF O=C(O)Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587961698 NVDVTASFEUUUGK-UHFFFAOYSA-N 335.190 4.088 0 1 EIAF Cc1c(F)ccc2c1[C@H](c1c(Cl)cccc1-n1cccn1)NCC2 962374642 LXFDHYSSIWIDNS-LJQANCHMSA-N 341.817 4.208 0 1 EIAF CCOc1ccc([C@H]2NCCc3c2sc(C)c3C)cc1CN(C)C 963007943 ITBLZKMRQPBNGV-LJQANCHMSA-N 344.524 4.060 0 1 EIAF O=S1(=O)C=Cc2cccc(Nc3cccc(C(F)(F)F)c3)c21 1772650038 RIJVPRMZSAPJMM-UHFFFAOYSA-N 325.311 4.207 0 1 EIAF CN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1 1857570219 BTEAGDYXAOZIRT-UHFFFAOYSA-N 348.418 4.036 0 1 EIAF OC[C@@H]1[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 13813636 KAJHVXYADYOEOO-NHCUHLMSSA-N 328.415 4.056 0 3 EIAF aggregator C[n+]1ccccc1/C=C/C1=C(c2ccccc2)Oc2ccccc2O1 230471 NFLKHMYDASACJF-CCEZHUSRSA-N 328.391 4.365 0 1 EIAF COc1ccc([C@@H]2O[C@@H](C)[C@@H](c3ccc(OC)cc3)O[C@@H]2C)cc1 14828302 TWEGIGPRPZZEHS-YKLJGAPNSA-N 328.408 4.310 0 1 EIAF in-man Fc1ccc(CN2CCC(CNc3ccc4[nH]ncc4c3)CC2)cc1 28642502 NTKPSOZHWAVEKO-UHFFFAOYSA-N 338.430 4.026 0 1 EIAF CCCSc1ccc2c(c1)nc(NC(=O)OC)n2C(=O)CCC 28767072 OHKSURMRZQZEJF-UHFFFAOYSA-N 335.429 4.157 0 1 EIAF COc1cc2c(c3c1C(C)(C)[C@@H](C)O3)C(=O)C[C@@H](c1ccccc1)O2 49070407 OOMCQCKTKDWACK-DOMZBBRYSA-N 338.403 4.460 0 1 EIAF COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1 63298171 PQNWNVWJXPSZFR-UHFFFAOYSA-N 343.386 4.491 0 1 EIAF c1cncc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)c1 84620023 BHNFVXISRPMSCV-UHFFFAOYSA-N 344.403 4.373 0 1 EIAF CC[C@@H](C)[C@H]1NC(=O)C(SCc2cccc(C(F)(F)F)c2)=C1O 101199859 IIZDOXATMSSHGP-BXKDBHETSA-N 345.386 4.253 0 1 EIAF O=C(Nc1cccc(F)c1)Nc1ncccc1OCc1ccccc1 206927130 OKJMGIKSKUXFRV-UHFFFAOYSA-N 337.354 4.444 0 1 EIAF COc1cc(C(c2ccc(O)c(OC)c2)[C@@H](CF)C(C)C)ccc1O 299831528 QMRSDXQPZGKFRG-HNNXBMFYSA-N 348.414 4.489 0 1 EIAF CCOC(=O)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587098445 YCTZZWLURDCGCL-UHFFFAOYSA-N 345.398 4.494 0 1 EIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2c1 587169171 UYKCQPCPGMYYAS-VIFPVBQESA-N 348.761 4.282 0 1 EIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](O)C3)c1 587367278 VCGZUDJPKCUARK-CYBMUJFWSA-N 331.371 4.116 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)Sc3ccccc31)O2 587415736 WJEFMSYNUNUAIN-BLVKFPJESA-N 325.433 4.322 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4ncccc4C)C1)[C@@H](C2)C3=O 587435238 DUJNXTOQNDHIGK-JKXTWKSPSA-N 349.430 4.243 0 1 EIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3nc(Cl)ccc31)CC2=O 587461458 MTCVPNBKIDLPOF-IBGZPJMESA-N 343.810 4.200 0 1 EIAF Cc1c[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590191 RTSFREVDGCTRJM-WIYYLYMNSA-N 349.386 4.214 0 1 EIAF CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2ccc(F)c(Cl)c12 587632526 YMSGZENVTLQFGM-UHFFFAOYSA-N 335.766 4.021 0 1 EIAF CC(C)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813358 BWDRCYQJJOQEBF-HWPZZCPQSA-N 326.253 4.384 0 1 EIAF Clc1ncc2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 587955626 JZVPSFIKEQQJCH-HNNXBMFYSA-N 334.810 4.333 0 1 EIAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](O)[C@@]2(C)[C@@H]1C 2356590511 QJKGZNSDXBIUKZ-ZJQOKSFYSA-N 332.440 4.108 0 1 EIAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCc2nc3ccccc3n21 206053090 JKJOHEZMBBDUHP-JOCHJYFZSA-N 341.414 4.490 0 3 EIAF CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3N2O1 13436808 VMLLHZVDHFWOOM-HIFRSBDPSA-N 330.815 4.259 0 1 EIAF COc1cc2nccc(Oc3cccc(OC)c3OC)c2cc1OC 13859459 NQWDTJUCVNPURX-UHFFFAOYSA-N 341.363 4.062 0 1 EIAF in-vivo O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccccc2C1 17321886 XAPSINUNBDPEQI-UHFFFAOYSA-N 348.358 4.053 0 1 EIAF C/C=C/[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954208 WHWHOCJFHMCYEE-VUDBWIFFSA-N 325.117 4.196 0 1 EIAF CCCN(CCc1ccc2ccccc2c1)C[C@H](O)c1cccnc1 29063732 ZJWSJTMSZQNCIP-QFIPXVFZSA-N 334.463 4.223 0 1 EIAF Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1 96907380 HFFDHCIWKMSYST-UHFFFAOYSA-N 330.457 4.005 0 1 EIAF O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCC4CCC3)cc1 96907583 OIQBQGWTGUUBNB-UHFFFAOYSA-N 335.403 4.393 0 1 EIAF CCOC1(OCC)[C@@H]2c3cccc(C)c3[C@H]([n+]3ccccc32)C1(C)C 100714979 SMKLVXUPVDRMKI-UXHICEINSA-N 338.471 4.126 0 1 EIAF Cc1cc(C(=O)O)c2nc(-c3ccc(Oc4ccccn4)cc3)[nH]c2c1 113983258 ISZZGFDIEMLRJC-UHFFFAOYSA-N 345.358 4.424 0 1 EIAF FC(F)(F)c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cn1 586888099 WFUKSFUHHWCSHM-SJKOYZFVSA-N 329.325 4.348 0 1 EIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 586915750 HKKLHGYEOJXBDQ-YJYMSZOUSA-N 342.345 4.058 0 1 EIAF Cc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2n1 587065599 SSVPAIHFGIZOSE-UHFFFAOYSA-N 337.814 4.389 0 1 EIAF Clc1cccc(-c2cc(-c3nc4nccc(Cl)c4[nH]3)n[nH]2)c1 587068395 UYBKASADSJDOES-UHFFFAOYSA-N 330.178 4.322 0 1 EIAF Cc1nccc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587076502 MRRONOFMPRJVGW-INIZCTEOSA-N 326.831 4.257 0 1 EIAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cncnc2[nH]1 587129485 ZZDTYNGFSKZHMA-UHFFFAOYSA-N 329.335 4.081 0 1 EIAF CCc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587167815 FIYPBGPLPNAECN-UHFFFAOYSA-N 347.397 4.390 0 1 EIAF CN(Cc1ccccc1)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587213426 RNKUNGBUNFRKHN-SFHVURJKSA-N 328.459 4.323 0 1 EIAF CC[C@@]1(CSC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369890 QZKKGCVAJKVGDI-MJGOQNOKSA-N 346.423 4.402 0 1 EIAF CCOc1ccc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443888 QKPHBQNTYBEEQU-DYESRHJHSA-N 338.403 4.147 0 1 EIAF CC/C(C)=C(\N)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587622843 HYYNSHHEXOBPEZ-AUWJEWJLSA-N 333.233 4.215 0 1 EIAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N)cc1 587623675 ZANUKLNAFGABLW-UHFFFAOYSA-N 341.212 4.364 0 1 EIAF CCOC1=C[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587799670 BSKDKAMTUPUQQC-QLJPJBMISA-N 340.236 4.032 0 1 EIAF CS(=O)(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587969660 UQTZVRDLAYONMZ-XFXZXTDPSA-N 348.427 4.290 0 1 EIAF O=c1cc(COc2ccccc2)nc2scc(-c3ccccc3)n12 621431083 MAHRGNMGWYXPKA-UHFFFAOYSA-N 334.400 4.002 0 1 EIAF Cc1cnc([C@@H](CC(=O)O)c2cccc(-c3ccncc3F)c2)s1 1772599083 KXBNXILRSRNRBB-HNNXBMFYSA-N 342.395 4.259 0 1 EIAF CNC1=CC2=CC[C@@H]3[C@H](CC[C@]45CN[C@@H](C)[C@@H]4CC[C@@H]35)[C@@]2(C)CC1 2356584402 CUBFRIYMPHETLI-POJZBZBFSA-N 326.528 4.250 0 1 EIAF O=C(Nc1ccc(F)cc1)c1cc2c(=O)[nH]c3ccccc3c2s1 211891 KIHYTTNOLRAZTC-UHFFFAOYSA-N 338.363 4.134 0 1 EIAF CCOC(=O)c1cc2cc(CSc3ccccc3)ccc2oc1=O 1660788 CMOOBRNNWYVBQU-UHFFFAOYSA-N 340.400 4.262 0 1 EIAF CC[C@@H](OC(C)=O)C(C[C@H](C)N)(c1ccccc1)c1ccccc1 5924345 FYQILXMAOLDNOY-OXJNMPFZSA-N 325.452 4.052 0 1 EIAF world CN1CCC(=C2c3ccccc3C=Cc3ccc(C(=O)O)cc32)CC1 26397968 YMXXBMLJWOYSTB-UHFFFAOYSA-N 331.415 4.396 0 1 EIAF CC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 34751362 DEMUCGPGQHZRLK-UHFFFAOYSA-N 346.386 4.408 0 1 EIAF CCCCC1(CCCC)OC(c2ccc3c(c2)OCO3)=NN1C(C)=O 40973736 PAZIBEUWGLLQIZ-UHFFFAOYSA-N 346.427 4.032 0 1 EIAF C=Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 43070999 MHZJLCNCTVELCZ-UHFFFAOYSA-N 345.811 4.267 0 1 EIAF CCC[C@@H](CNCc1ccccc1)CNc1cc(=O)c2ccccc2[nH]1 45168001 IYJXNMPDRPODMR-SFHVURJKSA-N 349.478 4.146 0 1 EIAF OC(c1cncnc1)(c1ccccc1Cl)c1ccccc1Cl 72102106 CDHHXZRHQPWDQV-UHFFFAOYSA-N 331.202 4.068 0 1 EIAF Cc1ccccc1-c1nc(Cn2cc(CCN)c3ccccc32)co1 72184828 DJCQSNPHEVAMQU-UHFFFAOYSA-N 331.419 4.154 0 1 EIAF Cc1cc(O)ccc1[C@H]1CC[C@H](NC(=O)CCc2ccccc2)CC1 101096734 WHIWOTLPHYDESG-KDURUIRLSA-N 337.463 4.476 0 1 EIAF Cc1ccc(C(=O)Nc2ccc(F)c(-c3nc4ncccc4o3)c2)o1 103260158 NSFIUZGGUTZQGK-UHFFFAOYSA-N 337.310 4.183 0 1 EIAF COC(=O)[C@H]1[C@H](c2cccc(-c3ccccc3)c2)C[C@H]2CC[C@H]1N2C 253691554 GDTWDHOANPFJQI-MHTWAQMVSA-N 335.447 4.093 0 1 EIAF CC[C@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1 586889586 MHUZOLAJWQDDGD-ISVAXAHUSA-N 326.181 4.071 0 1 EIAF COc1nccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114892 YQVGVIBYZKEXIV-SNVBAGLBSA-N 335.329 4.332 0 1 EIAF CCOc1cc(/C=C/c2nc3cccnc3[nH]2)ccc1OC(F)F 587131164 VGILFKRTNLXRIY-SOFGYWHQSA-N 331.322 4.128 0 1 EIAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc12 587161094 JVBBYUFNMMDSSS-NWDGAFQWSA-N 346.203 4.439 0 1 EIAF COc1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587244152 LRGMODBQZGTAOP-UHFFFAOYSA-N 343.386 4.491 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(F)cc1Cl)O2 587386685 WCJJWWGELLEYPY-GOSISDBHSA-N 333.790 4.336 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3nccc-3c1)CC2=O 587482750 JANFLQGVRBAPOF-FQEVSTJZSA-N 336.391 4.053 0 1 EIAF CC(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513205 QRZJUPIXVGTPTB-JOCHJYFZSA-N 349.430 4.404 0 1 EIAF C[C@]1(c2cnc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587514219 HMHDPIFUORUSCO-OAQYLSRUSA-N 332.403 4.094 0 1 EIAF O=C1C[C@@H](c2cccc3c2OCCO3)Oc2c1ccc1c2CCCC1 587536022 QLMNNRAJSUXNHV-IBGZPJMESA-N 336.387 4.043 0 1 EIAF NC(=S)c1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 587922195 LRTUARIOAIINJJ-UHFFFAOYSA-N 332.400 4.390 0 1 EIAF C[C@H](CCc1nc2cccc(OCc3ccccc3)c2[nH]1)CC(=O)O 587962866 JZAUHSSGOMJVMF-CQSZACIVSA-N 338.407 4.185 0 1 EIAF CC1=CSC2=NC(=O)/C(=C/c3ccc(Br)cc3)CCN12 653698668 YVCDNYRQYHIVLE-XYOKQWHBSA-N 349.253 4.029 0 1 EIAF COc1cc2c(cc1OC)[C@@](C)(c1oc(C)cc1C)N(C)[C@H](C)C2 962624083 DCJPYYPBUSEZOF-XCLFUZPHSA-N 329.440 4.054 0 1 EIAF Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12 1857564506 NZDHMGOJDIRDGD-UHFFFAOYSA-N 327.819 4.418 0 1 EIAF O=C1c2ccccc2[C@@]2(c3cc(Cl)cc(Cl)c3)SCCN12 6583017 HTXYQLNSTXZJNK-MRXNPFEDSA-N 336.243 4.397 0 1 EIAF O=C(O)c1cc2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 13588864 KLTRLRRDRBLTSB-UHFFFAOYSA-N 334.158 4.335 0 1 EIAF COC(=O)[C@H](C)C1=C([C@]2(C)CCCC(C)(C)C2)CC[C@@H]2COC(=O)[C@H]12 15161535 KJWLJWDXAGRMKP-COESMTMPSA-N 348.483 4.282 0 1 EIAF biogenic CCCCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 28217997 OBEHYNMYCUIOPW-SFHVURJKSA-N 337.467 4.186 0 1 EIAF O=C1c2ccccc2C(=O)N1c1ccc(CCc2ccccc2)cc1 45322531 AXTFYGWMYSVZKF-UHFFFAOYSA-N 327.383 4.272 0 1 EIAF CN(Cc1ccccc1)C[C@H]1CCc2c(n(C)c3ccccc23)C1=O 59282403 ORZBNJCRRMDLGU-QGZVFWFLSA-N 332.447 4.055 0 1 EIAF O=C(O)[C@@H]1CC[C@H]2C[C@H](C(c3ccccc3)c3ccccc3)CCN2C1 84713914 RUPOWHOOSCMNSP-NJYVYQBISA-N 349.474 4.394 0 1 EIAF c1ccc2c(CCCNc3ccc(CN4CCOCC4)cc3)c[nH]c2c1 96914950 NBJDTSYMRYWOCB-UHFFFAOYSA-N 349.478 4.045 0 1 EIAF Cc1nn(CC(F)(F)F)c(CSC2=NOC(C)(C)C2)c1Cl 103220285 MGVRNYBOWBZRGY-UHFFFAOYSA-N 341.786 4.153 0 1 EIAF C[C@H](O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243566 DETWBNHUPBJSGA-NSHDSACASA-N 330.767 4.079 0 1 EIAF CN(C)CCN(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1 150117225 KIEHHWYHOAHUOZ-UHFFFAOYSA-N 339.870 4.456 0 1 EIAF CCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2 210432341 BZUCYSTYXVHZSB-INIZCTEOSA-N 329.465 4.070 0 1 EIAF O=C(O)CCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCCO 263614131 AEHUQHOABRTKBQ-SSNPJMEWSA-N 336.472 4.160 0 1 EIAF in-vitro CCCCOc1cc2nc(C3=COCC3)[nH]c2cc1Br 586913954 XGGWKSNNVYBQNJ-UHFFFAOYSA-N 337.217 4.266 0 1 EIAF Fc1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 587023402 PCJGCRVFHKNXSJ-UHFFFAOYSA-N 332.585 4.241 0 1 EIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587059842 ZTDXTJABXAJSDR-JTQLQIEISA-N 342.176 4.390 0 1 EIAF Clc1cccnc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587064813 HMGKLCMJJIQLOM-UHFFFAOYSA-N 343.999 4.089 0 1 EIAF Cc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1C 587118843 QDDGFVBRIBRUII-UHFFFAOYSA-N 334.345 4.321 0 1 EIAF Cc1c(Br)cc2nc(-c3cc(CO)ccc3F)[nH]c2c1C 587141181 YYIUBUPNPHJZQG-UHFFFAOYSA-N 349.203 4.241 0 1 EIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(CO)cc3[nH]2)c1 587241716 GSLSNXJCAPUJJW-UHFFFAOYSA-N 337.423 4.097 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C=O)cc1)(C1CCCC1)O2 587403968 BRJHYRPPFBLPNX-QFIPXVFZSA-N 349.430 4.441 0 1 EIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(C)n1)CC2=O 587489730 VXWAGSIJVNZVIU-FQEVSTJZSA-N 325.408 4.015 0 1 EIAF O=C1C[C@H](c2cnc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587504928 OROMMAAOVMIYDO-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF CCCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580458 XYSXHGRTGPQFJJ-WIYYLYMNSA-N 349.386 4.307 0 1 EIAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587607951 JGCAPSOUCLKEKV-RXVVDRJESA-N 348.354 4.109 0 1 EIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 587784764 JADJJMOKDRVQIA-GJZGRUSLSA-N 338.432 4.228 0 1 EIAF C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587966862 HJBJKUNLEVSBOD-PSASIEDQSA-N 335.201 4.093 0 1 EIAF CCC1(CC)C(=O)NCC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962670997 VZSPFGHSINYIHP-QHCPKHFHSA-N 348.490 4.021 0 1 EIAF O=C(O)c1ccn2c(NCc3ccccc3)c(-c3cccs3)nc2c1 1772570707 CXKGONVVDXQYAI-UHFFFAOYSA-N 349.415 4.373 0 1 EIAF COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)nc2)cc1 1857591300 PYTQJCFNJVKSDC-UHFFFAOYSA-N 349.434 4.323 0 1 EIAF CCC=CCC=CC[C@H](O)[C@H](C=C[C@@H]1CC=CCCCC(=O)O1)OC 2356466745 QXHLHGKKWDCOOY-UFYCRDLUSA-N 348.483 4.263 0 1 EIAF O=C1C=C(NCc2ccc(Cl)cc2Cl)C2(CCCCC2)O1 6423769 FCOJTJGPVXLZMS-UHFFFAOYSA-N 326.223 4.227 0 3 EIAF COCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 61949086 CAHQCGHJSJEXHP-UHFFFAOYSA-N 339.439 4.255 0 3 EIAF COc1ccc(CN2C(=O)[C@@H](n3c(C)ccc3C)c3ccccc32)cc1 206028738 AMRNIKGLDWGSQZ-NRFANRHFSA-N 346.430 4.250 0 3 EIAF COc1ccc2cccc(CCNC(=O)c3cc4ccccc4[nH]3)c2c1 13650499 VRWWBTBOWUNVQD-UHFFFAOYSA-N 344.414 4.302 0 1 EIAF O=C(O)COc1ccc2c(-c3ccccc3Cl)noc2c1Cl 28757429 VTJLYUYGAPUJAA-UHFFFAOYSA-N 338.146 4.265 0 1 EIAF CC[C@]1(C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](C)C1(Cl)Cl 29392287 GRWWSKXCVNWJJF-WOSRLPQWSA-N 328.283 4.344 0 1 EIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@]21CCC(=O)O1 40917935 WJTQAIIEUXLAEB-SACAXFFCSA-N 326.436 4.324 0 1 EIAF Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 45334596 ZGRGUZOYNFJORG-HARLFGEKSA-N 349.474 4.140 0 1 EIAF COc1ccc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)cc1OC 74388350 YCDRSVDZKKEMPY-UHFFFAOYSA-N 349.365 4.448 0 1 EIAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 82203904 NXMJLPDLXZFTEH-SIXLDLHFSA-N 346.519 4.025 0 1 EIAF O=c1nc(-c2ccccc2O)cc(-c2ccc(Cl)cc2Cl)[nH]1 103221260 KPVZDCORHAOHQE-UHFFFAOYSA-N 333.174 4.116 0 1 EIAF O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(Cl)cc1F 117721435 MFQWPTDELQRSFF-ZDUSSCGKSA-N 332.806 4.198 0 1 EIAF Cc1ccc(OCC(=O)N(Cc2cccs2)c2cccnc2)cc1 143479194 XXKLDRFGAGRRGF-UHFFFAOYSA-N 338.432 4.064 0 1 EIAF O=C(O)CCC/C=C\C/C=C/C=C/[C@H](O)C/C=C\CCCCCO 169365037 NUPDGIJXOAHJRW-DCQUDSMWSA-N 336.472 4.160 0 1 EIAF Cc1c(Br)ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586884801 IYMCYQZDKJFCFG-WOPDTQHZSA-N 345.240 4.273 0 1 EIAF O=C1O/C(=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)c2ccccc21 586905885 FXWJYOXEAGDDRA-JYRVWZFOSA-N 346.264 4.130 0 1 EIAF Cc1cc(Cl)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913491 PIJLWADPVPUMBY-UHFFFAOYSA-N 342.826 4.327 0 1 EIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587043673 SUWVDIXFJDKSIS-OAHLLOKOSA-N 343.496 4.062 0 1 EIAF Fc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082607 TUCVOFVOCZJGQG-UHFFFAOYSA-N 342.761 4.255 0 1 EIAF Fc1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1Br 587090552 RLUYWGAIZKZZCN-QMMMGPOBSA-N 349.484 4.388 0 1 EIAF CNc1c(F)cccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587135453 BILJYSBRQVDYMP-UHFFFAOYSA-N 347.397 4.242 0 1 EIAF Fc1cc2[nH]c(-c3cc(Br)cnc3F)nc2cc1Cl 587177985 KJDVOOVVFZNSHL-UHFFFAOYSA-N 344.546 4.319 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(-c3ccccc3C)c1)O2 587388858 BRHOHMGNJZFDIY-FQEVSTJZSA-N 332.403 4.383 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1cccc(N)c1)(C(C)C)O2 587392464 ZRDRGHDFZUTDNB-OAQYLSRUSA-N 338.451 4.152 0 1 EIAF COc1cc2c3c(c1)O[C@H](C(C)(C)Sc1ccccc1)[C@@H](C2)C3=O 587450747 URQLTBDHIURWQJ-KXBFYZLASA-N 340.444 4.382 0 1 EIAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)CCCC3)CC2=O 587494227 JNGUSRVEYXIJFG-INIZCTEOSA-N 343.448 4.387 0 1 EIAF Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623192 NNQVWOZBKNMIAT-UHFFFAOYSA-N 327.185 4.056 0 1 EIAF Cc1ccnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587773314 QKJJONATXDSGGB-GTNSWQLSSA-N 349.247 4.089 0 1 EIAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCc3ccccc31)N(C)[C@@H](C)C2 962617190 BTGXDYPWTYLCIF-OHOGDBNVSA-N 337.463 4.351 0 1 EIAF Cc1cc(C)c(O)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 1252030971 UNBIXMRLHQKSFM-UHFFFAOYSA-N 333.453 4.107 0 1 EIAF Cc1cccc(-n2ccc(OC[C@@H](C)COc3ccccc3)cc2=O)c1 1857579862 KIHWPJLHBQPIHX-SFHVURJKSA-N 349.430 4.240 0 1 EIAF CC[C@H](OC)[C@@H](O)CC=CCC=CCCCCCCCC(=O)O 2356738277 HWFCXWBMBGDXGB-ROUUACIJSA-N 326.477 4.480 0 1 EIAF CCOc1cc2c(cc1O)C=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26483838 IAPLTZHXXFXFMM-XJLXEZPNSA-N 328.452 4.479 0 1 EIAF c1ccc2c(c1)[C@H]1CC(c3cc[nH]c3)(c3cc[nH]c3)[C@@H]2c2cccc[n+]21 26646843 FTHMSNDPXJXXQI-YADHBBJMSA-N 338.434 4.055 0 1 EIAF O=C1C[C@H](C2(c3cccc4ccccc34)SCCCS2)CO1 28374513 SZZILDWKBAMDDH-AWEZNQCLSA-N 330.474 4.426 0 1 EIAF COc1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1 35941935 DGVDFKILQAVBSH-UHFFFAOYSA-N 341.374 4.177 0 1 EIAF CCC(=O)c1cc2c(OC(C)=O)c3ccccc3c(OC(C)=O)c2o1 95555244 VTTRJSPXJSMLBZ-UHFFFAOYSA-N 340.331 4.029 0 1 EIAF CSCSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169361828 WWCOUQDEXRRTEL-ANZJWVPYSA-N 330.515 4.035 0 1 EIAF CCCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4ccccc43)[C@H]21 253793176 VZKOPMVAYWETQC-FPOVZHCZSA-N 325.500 4.199 0 1 EIAF COc1cc(/C=C\c2nc3c(C)nccc3[nH]2)ccc1Br 586977137 NTXRUOGWLPKGCF-XQRVVYSFSA-N 344.212 4.208 0 1 EIAF Cc1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c(C)n1 587205006 NAHYPLYYCDDHOS-CQSZACIVSA-N 346.475 4.057 0 1 EIAF C[C@@H]1C[C@H](C(=O)O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587205639 ARLVIAWSLGASGQ-NEPJUHHUSA-N 343.382 4.197 0 1 EIAF COc1cc2c3c(c1)O[C@H](CCc1cccc(Cl)c1)[C@@H](C2)C3=O 587420619 QMCRXMSBRUKYSO-HZPDHXFCSA-N 328.795 4.097 0 1 EIAF COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccccc5c41)[C@@H](C2)C3=O 587437997 KFWDJJWDASJCHV-OYHNWAKOSA-N 345.398 4.156 0 1 EIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c(N)c1)CC2=O 587468907 FDOINDCMVRNAMY-FQEVSTJZSA-N 325.408 4.116 0 1 EIAF CCN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587509163 YBLOIPPDXVVTJA-IBGZPJMESA-N 336.435 4.123 0 1 EIAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587584682 ADSXYUPIPVRRGZ-WIYYLYMNSA-N 347.370 4.107 0 1 EIAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1N1CCCC1 587644189 PIJZTVRIPCCAQN-CQSZACIVSA-N 328.456 4.387 0 1 EIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587772951 PTYRRUPHPAVKOV-PIGZYNQJSA-N 349.247 4.089 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccs2)N1 587854990 UYUVCGXYNRBUQT-XLKFXECMSA-N 326.234 4.273 0 1 EIAF COc1ccc2c(c1)[C@@]1(CCc3cccc(F)c31)N(C(C)C)CC2 962095538 UYEMTUGNCOOFNI-OAQYLSRUSA-N 325.427 4.291 0 1 EIAF CC=C(C)C(=O)O[C@@H]1c2c(oc(C)c2C)CC2=CCC[C@@](C)(O)[C@@]21C 2356497318 KJSGMDITOKTFKQ-NRSPTQNISA-N 344.451 4.481 0 1 EIAF CC=Cc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](C)O2 2356507782 HDXJIAOVHJAFLG-BUXKBTBVSA-N 342.391 4.344 0 1 EIAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@H](O)[C@H](C(C)C)CC3 2356713668 OLNJNDLWCJADAH-ZBWGKUOUSA-N 334.500 4.489 0 1 EIAF CC(C)OC(=S)Nc1ccc(Cl)c(C(=O)OCC2CC2)c1 13474514 UMHUCTYQASNIEW-UHFFFAOYSA-N 327.833 4.029 0 1 EIAF Cc1cccc(-c2nc(NC(=O)NOc3ccccc3)cs2)c1 13553627 QOWSFOQUFOYRRT-UHFFFAOYSA-N 325.393 4.234 0 1 EIAF O=C1Nc2cccc3c2[C@@]1(CCCN1CCc2ccccc2C1)CCC3 13817842 QEGJKPGHYKWFRG-QHCPKHFHSA-N 346.474 4.051 0 1 EIAF CCCCC/C=C/C[C@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 25974090 LRPPQRCHCPFBPE-TYAUKLOFSA-N 338.488 4.382 0 1 EIAF Cc1cc(-c2c(-c3ccncc3)c3cc(Cl)ccc3[nH]c2=O)on1 29126195 ASYDVLCYGJHGKC-UHFFFAOYSA-N 337.766 4.207 0 1 EIAF CCCCC[C@@H](O)[C@H](O)/C=C/C=C/C=C/C/C=C/CCCC(=O)O 33822279 RFCYXKNVYQOCTM-LCTHTMBQSA-N 336.472 4.158 0 1 EIAF Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1 45338649 DOYLLHOWPJQFPA-UHFFFAOYSA-N 332.419 4.170 0 1 EIAF Cc1c(O)cc(/C=C/C=C/C=C/C=C/c2[nH]ccc2Cl)oc1=O 64527073 XUQWAQPDNWJZBS-VTXBTNDESA-N 329.783 4.474 0 1 EIAF C(=C/c1ncc(-c2cnc(-c3ccccc3)nc2)[nH]1)\c1cccnc1 68204383 IKWADTAKTQOQDM-CMDGGOBGSA-N 325.375 4.099 0 1 EIAF O=C(O)c1cn(Cc2ccc3ccccc3c2)c2cccc(F)c2c1=O 68247072 GAANBNFCVDWWGH-UHFFFAOYSA-N 347.345 4.040 0 1 EIAF Cc1cnc(SCC(=O)N2CCCc3cccc(C)c32)cc1C 138906940 KTHJQHSQBKPZKR-UHFFFAOYSA-N 326.465 4.078 0 1 EIAF Cc1noc(C)c1-c1ccc2c(c1)[C@H](OCCCN1CCCC1)CC2 169322581 NELRZOQHUGTUOV-HXUWFJFHSA-N 340.467 4.448 0 1 EIAF C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C 195345613 BVLMUEUIQIASQJ-AVWBDOJWSA-N 326.362 4.296 0 1 EIAF Fc1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1NC1CCCC1 204073941 ZDUCVPCEJWDDDU-UHFFFAOYSA-N 331.782 4.167 0 1 EIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1ccnn1 253634797 OKJRJJXKSVCWCZ-FJEWGBTGSA-N 339.483 4.053 0 1 EIAF CN1C[C@](O)(c2ccc(C3CCCCC3)cc2)O[C@@H]2CCCC[C@@H]21 473119348 ASKGIKIBLKGDPF-PWRODBHTSA-N 329.484 4.153 0 1 EIAF CCc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586997821 VWDWKNJPOBHZPB-CQSZACIVSA-N 344.256 4.130 0 1 EIAF Clc1nccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006492 OOOQGYVVFIZESC-UHFFFAOYSA-N 347.603 4.294 0 1 EIAF COc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1OC 587085643 YMHCZOCQNBDCGU-UHFFFAOYSA-N 339.782 4.449 0 1 EIAF Cc1ccc2c3c(c4c(nc13)CC(=O)CCC4)-c1ccccc1C2=O 587100417 JHTQRRINUPRBQA-UHFFFAOYSA-N 327.383 4.203 0 1 EIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587196125 REHPFYFGSILXCY-SECBINFHSA-N 335.238 4.483 0 1 EIAF Cc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1C 587233587 TVDKOKHBUJCOHA-KBPBESRZSA-N 329.444 4.341 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1)O2 587370239 CUSXUNAITUPVFZ-OAHLLOKOSA-N 332.197 4.046 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)c(F)c1)O2 587382004 MHCZNXSNDVBEIK-OAHLLOKOSA-N 339.288 4.442 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3F)no1)O2 587386186 TZQNECDPYVVYAT-KRWDZBQOSA-N 338.338 4.078 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)C3CCC3)c1)O2 587406472 RKIZCKDZGDXQFA-LJQANCHMSA-N 335.403 4.267 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3)cs1)O2 587411278 CKSYGIOOTMLJHP-QGZVFWFLSA-N 336.416 4.407 0 1 EIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(C)ccc(C)c41)[C@@H](C2)C3=O 587446224 BBVRIAYSESJHNC-JTSKRJEESA-N 334.415 4.291 0 1 EIAF O=C1C[C@H](c2cc(F)ncc2Cl)Oc2c1ccc1c2CCCC1 587509193 QQZUPOMDZKXZJJ-MRXNPFEDSA-N 331.774 4.459 0 1 EIAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\c1ccc2c(O)nc(O)nc2n1 587561926 WTCJWFBGKIMFGV-DFHPSLQESA-N 325.412 4.078 0 1 EIAF Cc1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1Cl 587638788 PXFDEHFAAKGFCI-UHFFFAOYSA-N 342.782 4.389 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc32)N1 587820271 ZMVQROZXQMDFHP-ZMZPIMSZSA-N 346.243 4.312 0 1 EIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@@H]2CCCO2)N1 587830356 DXDHDKMSCKHGNH-XAGWURHQSA-N 342.252 4.123 0 1 EIAF CCOC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859815 JRVSBSFHNRWLHX-UHFFFAOYSA-N 329.183 4.260 0 1 EIAF COc1cc(C2(c3nc4cc(OC)c(F)cc4[nH]3)CC2)ccc1C 587927640 VCJKBICFTFYQTK-UHFFFAOYSA-N 326.371 4.108 0 1 EIAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccc(Cl)cc1Cl 617981672 VRWXIZXUIOSDMH-RVROTUBLSA-N 345.251 4.190 0 1 EIAF COC(=O)[C@H]1CCCC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962663177 GAPBLTLPFRZFQO-IRLDBZIGSA-N 335.447 4.058 0 1 EIAF COC(=O)c1ccc(-c2cnc(Nc3cc(F)ccc3F)o2)cc1 1857564659 WTWKFHJUBZQGLZ-UHFFFAOYSA-N 330.290 4.150 0 1 EIAF CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1 1857606203 QYEUBDZPTZNDEF-UHFFFAOYSA-N 343.814 4.458 0 1 EIAF Fc1ccc(Nc2cc3nc(-c4ccc(F)c(F)c4)[nH]c3cn2)nc1 1857647479 MQLIJWOSTXBEEZ-UHFFFAOYSA-N 341.296 4.181 0 1 EIAF Clc1cc(Cl)cc(CN2Cc3ccccc3-n3nncc3C2)c1 203284372 KAEZBXVNGMWBNX-UHFFFAOYSA-N 345.233 4.090 0 3 EIAF O=C(O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc21 3814350 UXEQTQLGTPBEQZ-UHFFFAOYSA-N 340.379 4.066 0 1 EIAF COc1ccc(-c2sccc2-c2ccc(S(C)(=O)=O)cc2)cc1 26730270 NDYAJSQDIBXWKL-UHFFFAOYSA-N 344.457 4.494 0 1 EIAF Cc1sc(C(=O)O)c(C(=O)c2cccc(C(F)(F)F)c2)c1C 27309310 AKPUFJRZWICXMG-UHFFFAOYSA-N 328.311 4.313 0 1 EIAF CCOC(=O)c1ccc(OCCCCCCc2cc(C)no2)cc1 27857623 MRFQWCYIYASTMS-UHFFFAOYSA-N 331.412 4.342 0 1 EIAF CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1 29393204 GILPARVWDRWRKU-RTBURBONSA-N 340.467 4.046 0 1 EIAF CCCCCCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2C)cc1 40953257 KWAWCFGCOWPEKD-UHFFFAOYSA-N 349.529 4.011 0 1 EIAF CCCCc1nc2c(NN)nc3ccccc3c2n1Cc1ccccc1 49037306 ZLLPJLVKKQZGCQ-UHFFFAOYSA-N 345.450 4.261 0 1 EIAF CO[C@H]1Cc2ccccc2C2(CCC(NCc3ccccc3)CC2)O1 71340404 BITTYRNNBNMMOO-NJEKYYFSSA-N 337.463 4.160 0 1 EIAF Cc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1 103254790 OGIWGEMPXICWLW-UHFFFAOYSA-N 335.388 4.156 0 1 EIAF C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340139 SFRSYHJIKLMEQP-CTNGQTDRSA-N 349.361 4.201 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1C)O2 587377833 PBRWZMLVSBWKMU-INIZCTEOSA-N 346.224 4.355 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2C[C@@H]1C 587380020 OCRYREYYYWHSPV-JEOXALJRSA-N 327.811 4.284 0 1 EIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccnc3)c1)O2 587395918 WBQDIUPUXOWECR-FQEVSTJZSA-N 330.387 4.346 0 1 EIAF COC(=O)CCCCCCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587399596 LYPMWMHAGGXZCI-OAHLLOKOSA-N 347.455 4.205 0 1 EIAF CCOC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587529355 AHPNWBKSRATFSA-GOSISDBHSA-N 340.375 4.042 0 1 EIAF C[C@]12C[C@@H]1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601345 CXGKMTVGRMQDKT-SNLNFDIBSA-N 336.387 4.303 0 1 EIAF CCOc1ccccc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 587780679 XVGXYVGBNGZALX-UHFFFAOYSA-N 338.194 4.242 0 1 EIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]2C3(C)C)N1 587829068 QKXOOUSKGPKDEH-USIYETSWSA-N 338.264 4.384 0 1 EIAF CC[C@H](O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1 1772598944 SAUMCUQQDUAVFI-VLIAUNLRSA-N 349.434 4.011 0 1 EIAF Cc1ccc([C@H](c2ccccc2)[S@](=O)Cc2cncs2)cc1 1857584154 WMJNCYWJEPGMOC-PGRDOPGGSA-N 327.474 4.490 0 1 EIAF CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)[C@H]1C1CCCCC1 13974329 WGWDDPLFUFHZQV-KRWDZBQOSA-N 347.842 4.345 0 1 EIAF CC(C)(C)c1ccc(N2CCN(c3ccc(C(=O)O)cc3)C2=O)cc1 28366468 UXDSPYCGSQZHCG-UHFFFAOYSA-N 338.407 4.129 0 1 EIAF C[C@H]1CCC[C@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 40379509 KMPYMLCZTFQZON-MGPLVRAMSA-N 341.238 4.276 0 1 EIAF Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1 43078190 GQEJUXJAPUMCSC-UHFFFAOYSA-N 327.391 4.447 0 1 EIAF O=C(C1CCCCC1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 71340983 JFRXMDANHVDUCO-INIZCTEOSA-N 343.402 4.120 0 1 EIAF CCCOc1ccc([C@H]2CCC(=O)N2c2ccc3[nH]cnc3c2)cc1 116194723 LAVLGHQMEANVDC-LJQANCHMSA-N 335.407 4.220 0 1 EIAF CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3ccccc23)cn1 169347450 JTAYXEIAILELHC-GOSISDBHSA-N 345.406 4.011 0 1 EIAF c1ccc(C[C@H]2N[C@H](c3nc4cnc5ccccc5c4[nH]3)CS2)cc1 587040223 GMADFWARHKZNDI-ROUUACIJSA-N 346.459 4.057 0 1 EIAF Cc1nc2[nH]c(-c3cc4cc(N)ccc4o3)nc2cc1Br 587251841 NMKMXGZERKWZHZ-UHFFFAOYSA-N 343.184 4.024 0 1 EIAF CC[C@H](C)Oc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401498 ROAMUVZMEBBREK-ORAYPTAESA-N 325.408 4.461 0 1 EIAF COc1cc2c3c(c1)O[C@@](Cc1ccc(F)cc1)(C(C)C)[C@@H](C2)C3=O 587427021 FXHNRPQDXJXXJT-UWJYYQICSA-N 340.394 4.219 0 1 EIAF CC(C)(CN1CCCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512529 DUXIFHKDAMDUPT-LJQANCHMSA-N 327.468 4.021 0 1 EIAF CCOc1ccccc1-c1cccc(-c2nc3cc(=N)[nH]cc3[nH]2)c1 587779869 HORDVUASQGJJRJ-UHFFFAOYSA-N 330.391 4.103 0 1 EIAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 587794927 WNDGSDSKJQPGDB-QLJPJBMISA-N 337.236 4.157 0 1 EIAF O=C([C@H]1Cc2ccccc2[C@@H](CCCc2ccccc2)N1)C(F)(F)F 962729686 JIFFCSMOVBRQFE-QZTJIDSGSA-N 347.380 4.396 0 1 EIAF CCOc1ccccc1C(=O)CC(=O)c1ccc(OC(C)C)cc1 1857566961 IVEGYQQHXRADCB-UHFFFAOYSA-N 326.392 4.328 0 1 EIAF COc1oc(CC=C(C)CC=CC(C)=C[C@@H](C)O)c(C)c(=O)c1C 2356646371 ZMSSBNLNFAIVPK-OAHLLOKOSA-N 332.440 4.027 0 1 EIAF